Wcorina 01220710493D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 40 41 0 0 0 0 0 0 0 0999 V2000 -0.1897 1.4714 -0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1232 -0.0270 -0.4201 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0585 -4.1290 -0.0207 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -4.8978 -1.2251 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5253 1.8691 -0.6898 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3739 2.0754 0.5630 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5205 1.8609 -1.7067 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9185 -6.1328 -1.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0159 -0.8258 -1.5436 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1639 -0.6005 0.8374 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0011 -2.7777 -0.1522 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3472 -5.3065 -1.5949 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0453 -2.1996 -1.4125 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1026 -1.9738 0.9738 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5361 -4.4495 -2.2818 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1657 -4.0571 -1.9267 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7614 -6.5723 -2.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8488 -6.8228 0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 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1.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0574 -9.2835 -0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 9 1 0 0 0 0 2 10 2 0 0 0 0 3 11 1 0 0 0 0 3 4 1 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 4 23 1 0 0 0 0 8 17 2 0 0 0 0 8 18 1 0 0 0 0 9 13 2 0 0 0 0 9 24 1 0 0 0 0 10 14 1 0 0 0 0 10 25 1 0 0 0 0 11 13 1 0 0 0 0 11 14 2 0 0 0 0 12 16 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 20 1 0 0 0 0 17 33 1 0 0 0 0 18 21 2 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 22 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 M END > (102223) 102223 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 -0.0082 1.2586 0.2466 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1867 -0.8352 -0.2522 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0557 2.1095 0.2959 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4576 0.4297 1.3726 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2182 -0.6401 -0.0237 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3690 -0.6359 0.4747 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2649 1.7326 0.8869 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9272 3.3909 -0.2446 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5022 -1.9299 0.9170 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3043 -2.1035 -0.1438 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4705 0.1249 0.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2986 2.6493 0.9879 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9743 4.2895 -0.1564 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3341 -0.4941 1.1783 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2162 -2.6304 0.9694 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1418 -1.8403 -1.2201 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1526 3.9248 0.4686 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8092 5.8800 -0.8321 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4613 -1.4606 0.2612 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4628 -2.5267 1.8546 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2436 -2.6430 -1.4341 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3973 -2.4607 -0.6919 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6485 0.2733 2.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0083 3.6804 -0.7327 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7225 -2.3672 -1.1152 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3104 -2.5386 -0.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2472 1.1625 0.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0028 0.0792 -0.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2214 2.3684 1.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3103 -0.0093 1.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8497 -0.3546 2.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7458 -2.4573 1.9374 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3801 -3.6989 0.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -1.9900 -1.8014 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9607 4.6363 0.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3631 -1.3224 0.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4299 -2.0360 1.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5683 -3.5899 1.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1028 -2.3970 2.8752 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2055 -3.4179 -2.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2507 -3.1015 -0.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 3 7 2 0 0 0 0 3 17 1 0 0 0 0 4 8 1 0 0 0 0 4 9 2 0 0 0 0 5 8 1 0 0 0 0 5 7 1 0 0 0 0 5 24 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 20 1 0 0 0 0 8 13 2 0 0 0 0 9 14 1 0 0 0 0 9 25 1 0 0 0 0 10 15 1 0 0 0 0 10 21 1 0 0 0 0 10 16 1 0 0 0 0 11 16 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 15 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 18 1 0 0 0 0 13 30 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 22 2 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 20 23 2 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 M END > (102261) 102261 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 43 44 0 0 0 999 V2000 -0.4558 1.4798 0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3183 -0.0209 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0985 -4.7833 1.2491 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0581 -4.1290 -0.0207 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2812 -5.3621 1.5688 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8028 1.8255 -0.1449 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0207 1.9856 1.2220 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2871 2.0215 -1.0467 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1133 -5.8967 1.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1156 -0.6893 -1.1931 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3894 -0.7265 1.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0659 -2.7757 -0.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2873 -4.2212 1.7332 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6120 -4.7770 2.0401 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2637 -2.1022 1.1828 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0107 -2.0649 -1.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8618 -6.1910 2.3327 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2915 -6.6273 0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5485 -3.7171 2.4369 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1371 -5.5449 0.9032 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7926 -7.2123 2.2954 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2223 -7.6487 0.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9746 -7.9396 1.1339 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3784 -4.0646 2.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5997 -6.0129 0.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2288 -5.9364 2.4937 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0564 -0.1355 -2.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 -0.2016 2.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9688 -3.5704 2.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3397 -3.6469 0.8082 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3237 -2.6533 2.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1687 -2.5866 -2.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7196 -5.6229 3.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7033 -6.4005 -0.8283 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6507 -2.9991 1.6231 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5213 -4.1560 2.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1685 -3.2096 3.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4579 -6.3662 0.6748 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1186 -5.9451 1.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2244 -4.8932 0.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3780 -7.4418 3.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3613 -8.2198 -0.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7018 -8.7375 1.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 10 1 0 0 0 0 2 11 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 3 24 1 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 9 17 2 0 0 0 0 9 18 1 0 0 0 0 10 16 2 0 0 0 0 10 27 1 0 0 0 0 11 15 1 0 0 0 0 11 28 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 17 21 1 0 0 0 0 17 33 1 0 0 0 0 18 22 2 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 23 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 M END > (429090) 429090 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 63 66 0 0 0 999 V2000 -0.0167 1.3829 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2141 -0.6751 -0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1715 2.0842 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 1.4114 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 0.0323 -0.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6979 -0.7418 -0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8177 0.1152 0.3535 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8311 1.3470 -0.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6547 2.2223 -0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5097 3.3761 -0.9762 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2569 3.1344 -2.3139 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1179 4.1904 -3.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2323 5.4943 -2.7338 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 5.7342 -1.3911 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6241 4.6747 -0.5155 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0965 6.5349 -3.5973 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8362 6.2132 -4.9651 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0954 -0.6009 0.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1639 -0.7021 0.0119 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3744 0.0572 0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5729 -0.8939 0.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8689 -0.0810 0.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0196 -0.9941 0.0672 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2681 -0.2649 0.3238 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4561 -1.2191 0.1817 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3016 -2.3708 1.1789 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9711 -3.0835 0.9213 C 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 -3.5485 -1.5175 -0.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5277 -1.5270 0.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8932 0.5426 0.9523 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9141 0.5521 -0.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2491 0.1434 1.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3678 0.5486 -0.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3816 -0.6813 0.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4838 -1.6173 -0.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3130 -1.9767 2.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1231 -3.0758 1.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8356 -3.8777 1.6555 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9754 -3.5110 -0.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8785 -2.5766 0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8139 -1.6584 2.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 1 30 1 0 0 0 0 2 20 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 19 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 28 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 28 29 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 M END > (493960) 493960 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 61 64 0 0 0 999 V2000 -0.0167 1.3829 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2141 -0.6751 -0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1715 2.0842 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 1.4114 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 0.0323 -0.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6979 -0.7418 -0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8177 0.1152 0.3535 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8311 1.3470 -0.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6547 2.2223 -0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5097 3.3761 -0.9762 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2569 3.1344 -2.3139 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1179 4.1904 -3.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2323 5.4943 -2.7338 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 5.7342 -1.3911 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6241 4.6747 -0.5155 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0965 6.5349 -3.5973 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8362 6.2132 -4.9651 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0954 -0.6009 0.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1639 -0.7021 0.0119 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3744 0.0572 0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5729 -0.8939 0.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8689 -0.0810 0.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0196 -0.9941 0.0672 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2696 -0.2641 0.3241 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4464 -1.2416 0.2653 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2316 -2.2958 1.2076 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0233 -3.0282 0.9866 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8320 -2.0688 1.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9582 1.9121 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2303 -1.7550 -0.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1572 3.1641 0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6251 -1.5846 0.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8748 -1.1153 -1.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7661 1.8823 -0.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7313 1.0956 -1.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8411 2.6064 0.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1683 2.1191 -2.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9208 4.0011 -4.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5758 6.7484 -1.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8216 4.8609 0.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7502 7.1324 -5.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6550 5.6109 -5.3587 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9051 5.6509 -5.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2148 -0.9738 -0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9145 0.0782 0.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1049 -1.4385 0.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3987 0.6808 0.9238 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4196 0.6903 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5485 -1.5175 -0.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5277 -1.5270 0.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8932 0.5426 0.9523 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9141 0.5521 -0.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2266 0.1948 1.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4011 0.5098 -0.4321 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3689 -0.7158 0.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5220 -1.6602 -0.7383 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9165 -3.7945 1.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0574 -3.4988 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9141 -2.6122 0.8284 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7661 -1.6387 2.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 1 30 1 0 0 0 0 2 20 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 19 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 M END > (493961) 493961 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 63 66 0 0 0 999 V2000 -0.0166 1.3755 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 2.0806 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3814 1.3941 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2072 -0.6901 -0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3967 0.0081 -0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7298 -0.6931 -0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5721 -2.0907 -0.4410 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5422 -2.7516 0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -2.1971 -0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1326 -2.6836 0.9486 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2333 -2.3567 2.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 -2.7967 3.1817 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7871 -3.5673 2.7338 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8859 -3.8940 1.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -3.4515 0.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7299 -4.0018 3.6108 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5641 -3.6272 4.9799 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8499 -2.8109 -0.3612 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 3.4395 0.0068 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1099 4.0788 0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0794 5.5971 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2889 6.2816 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1071 7.7393 0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3838 8.4294 -0.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1354 9.9334 -0.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 10.4528 0.9605 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1677 9.6844 1.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4731 8.1876 1.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1907 11.8163 0.8208 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.9046 0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3122 1.9417 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9278 -0.5533 0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3987 -0.1851 -0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1600 -0.6613 0.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5678 -3.8267 0.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7253 -2.5474 1.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9246 -2.5450 -1.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0613 -1.7571 2.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6447 -2.5414 4.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7124 -4.4941 1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0025 -3.7055 -0.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3829 -4.0380 5.5707 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6166 -4.0177 5.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5664 -2.5403 5.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2498 -2.7304 0.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6910 -3.8610 -0.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5570 -2.3758 -1.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6726 3.7850 -0.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6569 3.7788 0.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 5.8910 0.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6263 5.8972 -0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8516 5.9877 -0.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8358 5.9815 0.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8439 8.0538 -1.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0492 8.2455 0.6611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4811 10.1191 -1.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0849 10.4469 -0.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1412 10.3025 1.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5176 9.8662 0.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2887 10.0201 2.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1475 8.0048 2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4545 7.6364 1.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 2 0 0 0 0 1 31 1 0 0 0 0 2 20 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 19 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 27 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 27 59 1 0 0 0 0 28 29 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 M END > (493962) 493962 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 63 66 0 0 0 999 V2000 -0.0166 1.3755 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 2.0806 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3814 1.3941 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2072 -0.6901 -0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3967 0.0081 -0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7298 -0.6931 -0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5721 -2.0907 -0.4410 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5422 -2.7516 0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -2.1971 -0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1326 -2.6836 0.9486 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2333 -2.3567 2.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 -2.7967 3.1817 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7871 -3.5673 2.7338 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8859 -3.8940 1.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -3.4515 0.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7299 -4.0018 3.6108 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7962 -4.7907 3.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8499 -2.8109 -0.3612 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 3.4395 0.0068 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1099 4.0788 0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0794 5.5971 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2889 6.2816 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1071 7.7393 0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3838 8.4294 -0.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1834 9.9387 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1389 10.4162 -1.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1664 9.6476 -0.8166 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1021 8.1467 -0.9482 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6038 10.1797 -2.3387 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9108 11.7855 -0.8667 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.9046 0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3122 1.9417 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9278 -0.5533 0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3987 -0.1851 -0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1600 -0.6613 0.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5678 -3.8267 0.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7253 -2.5474 1.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9246 -2.5450 -1.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0613 -1.7571 2.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6447 -2.5414 4.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7126 -4.4937 1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0025 -3.7055 -0.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3373 -4.2127 2.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3878 -5.6903 2.6186 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4767 -5.0710 3.8831 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2498 -2.7304 0.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6910 -3.8610 -0.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5570 -2.3758 -1.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6726 3.7850 -0.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6569 3.7788 0.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 5.8910 0.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6263 5.8972 -0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8516 5.9877 -0.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8358 5.9815 0.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7424 8.2117 -1.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1165 8.0838 0.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1278 10.4517 -0.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8380 10.1585 0.9822 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9008 9.9526 -1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5488 9.8628 0.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8223 7.5958 -0.7751 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4714 7.9303 -1.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 2 0 0 0 0 1 32 1 0 0 0 0 2 20 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 19 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 41 1 0 0 0 0 14 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 M END > (493963) 493963 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 63 66 0 0 0 999 V2000 -0.0166 1.3755 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 2.0806 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3814 1.3941 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2072 -0.6901 -0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3967 0.0081 -0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7298 -0.6931 -0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5721 -2.0907 -0.4410 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5422 -2.7516 0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -2.1971 -0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1326 -2.6836 0.9486 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2333 -2.3567 2.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 -2.7967 3.1817 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7871 -3.5673 2.7338 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8859 -3.8940 1.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -3.4515 0.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7299 -4.0018 3.6108 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7962 -4.7907 3.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8499 -2.8109 -0.3612 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 3.4395 0.0068 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1099 4.0788 0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0794 5.5971 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2889 6.2816 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1071 7.7393 0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3838 8.4294 -0.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1834 9.9387 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1389 10.4162 -1.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1664 9.6476 -0.8166 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1021 8.1467 -0.9482 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 10.0391 -1.7734 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6572 9.9238 0.4640 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.9046 0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3122 1.9417 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 -1.8358 5.9815 0.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7424 8.2117 -1.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1165 8.0838 0.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1278 10.4517 -0.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8380 10.1585 0.9822 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5011 10.2319 -2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9612 11.4830 -0.9051 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8223 7.5958 -0.7751 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4714 7.9303 -1.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 2 0 0 0 0 1 32 1 0 0 0 0 2 20 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 19 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 41 1 0 0 0 0 14 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 M END > (493964) 493964 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 64 67 0 0 0 999 V2000 -0.0166 1.3755 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 2.0806 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3814 1.3941 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2072 -0.6901 -0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3967 0.0081 -0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7298 -0.6931 -0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5721 -2.0907 -0.4410 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5422 -2.7516 0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -2.1971 -0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1326 -2.6836 0.9486 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2333 -2.3567 2.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 -2.7967 3.1817 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7871 -3.5673 2.7338 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8859 -3.8940 1.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -3.4515 0.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7299 -4.0018 3.6108 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5641 -3.6272 4.9799 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8499 -2.8109 -0.3612 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 3.4395 0.0068 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1099 4.0788 0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0794 5.5971 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2889 6.2816 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1071 7.7393 0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3838 8.4294 -0.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1354 9.9334 -0.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 10.4528 0.9605 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1677 9.6844 1.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4731 8.1876 1.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1847 11.8456 0.8178 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.9046 0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3122 1.9417 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9278 -0.5533 0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3987 -0.1851 -0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1600 -0.6613 0.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5678 -3.8267 0.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7253 -2.5474 1.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9246 -2.5450 -1.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0613 -1.7571 2.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6447 -2.5414 4.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7124 -4.4941 1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0025 -3.7055 -0.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5664 -2.5403 5.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3829 -4.0380 5.5707 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6166 -4.0177 5.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2498 -2.7304 0.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6910 -3.8610 -0.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5570 -2.3758 -1.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6726 3.7850 -0.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6569 3.7788 0.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 5.8910 0.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6263 5.8972 -0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8516 5.9877 -0.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8358 5.9815 0.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8439 8.0538 -1.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0492 8.2455 0.6611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4811 10.1191 -1.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0849 10.4469 -0.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1412 10.3025 1.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5176 9.8662 0.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2887 10.0201 2.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1475 8.0048 2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4545 7.6364 1.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7619 12.2416 1.5921 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 2 0 0 0 0 1 31 1 0 0 0 0 2 20 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 19 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 27 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 27 59 1 0 0 0 0 28 29 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 30 64 1 0 0 0 0 M END > (493965) 493965 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 67 70 0 0 0 999 V2000 -0.0166 1.3755 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 2.0806 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3814 1.3941 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2072 -0.6901 -0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3967 0.0081 -0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7298 -0.6931 -0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5721 -2.0907 -0.4410 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5422 -2.7516 0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -2.1971 -0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1326 -2.6836 0.9486 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2333 -2.3567 2.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 -2.7967 3.1817 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7871 -3.5673 2.7338 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8859 -3.8940 1.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -3.4515 0.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7299 -4.0018 3.6108 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7962 -4.7907 3.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8499 -2.8109 -0.3612 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 3.4395 0.0068 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1099 4.0788 0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0794 5.5971 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2889 6.2816 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1071 7.7393 0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3838 8.4294 -0.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1354 9.9334 -0.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 10.4528 0.9605 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1677 9.6844 1.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4731 8.1876 1.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1645 11.9440 0.8077 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6519 12.4537 2.0404 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.9046 0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3122 1.9417 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9278 -0.5533 0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3987 -0.1851 -0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1600 -0.6613 0.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5678 -3.8267 0.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7253 -2.5474 1.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9246 -2.5450 -1.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0613 -1.7571 2.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6447 -2.5414 4.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7126 -4.4937 1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0025 -3.7055 -0.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3878 -5.6903 2.6186 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4767 -5.0710 3.8831 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3373 -4.2127 2.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2498 -2.7304 0.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6910 -3.8610 -0.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5570 -2.3758 -1.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6726 3.7850 -0.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6569 3.7788 0.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 5.8910 0.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6263 5.8972 -0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8516 5.9877 -0.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8358 5.9815 0.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8439 8.0538 -1.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0492 8.2455 0.6611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4811 10.1191 -1.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0849 10.4469 -0.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1412 10.3025 1.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5176 9.8662 0.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2887 10.0201 2.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1475 8.0048 2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4545 7.6364 1.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4237 12.0840 0.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0782 12.4776 0.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4353 13.3958 2.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 2 0 0 0 0 1 32 1 0 0 0 0 2 20 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 19 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 41 1 0 0 0 0 14 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 27 60 1 0 0 0 0 28 29 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 30 31 1 0 0 0 0 30 65 1 0 0 0 0 30 66 1 0 0 0 0 31 67 1 0 0 0 0 M END > (493966) 493966 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 64 67 0 0 0 999 V2000 -0.0166 1.3755 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 2.0806 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3814 1.3941 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2072 -0.6901 -0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3967 0.0081 -0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7298 -0.6931 -0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5721 -2.0907 -0.4410 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5422 -2.7516 0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -2.1971 -0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1326 -2.6836 0.9486 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2333 -2.3567 2.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 -2.7967 3.1817 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7871 -3.5673 2.7338 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8859 -3.8940 1.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -3.4515 0.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7299 -4.0018 3.6108 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7962 -4.7907 3.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8499 -2.8109 -0.3612 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 3.4395 0.0068 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1099 4.0788 0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0794 5.5971 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2889 6.2816 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1071 7.7393 0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3838 8.4294 -0.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1354 9.9334 -0.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 10.4528 0.9605 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1677 9.6844 1.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4731 8.1876 1.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1761 11.8875 0.8135 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9487 12.9947 0.7001 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.9046 0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3122 1.9417 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9278 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0 0 0 0 0 0 -1.8358 5.9815 0.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8439 8.0538 -1.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0492 8.2455 0.6611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4811 10.1191 -1.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0849 10.4469 -0.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1412 10.3025 1.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5176 9.8662 0.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2887 10.0201 2.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1475 8.0048 2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4545 7.6364 1.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 2 0 0 0 0 1 32 1 0 0 0 0 2 20 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 19 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 41 1 0 0 0 0 14 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 27 60 1 0 0 0 0 28 29 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 30 31 3 0 0 0 0 M END > (493967) 493967 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 66 69 0 0 0 999 V2000 -0.0166 1.3755 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 2.0806 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3814 1.3941 -0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2072 -0.6901 -0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3967 0.0081 -0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7298 -0.6931 -0.0264 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5720 -2.0908 -0.4407 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5421 -2.7513 0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1749 -2.1971 -0.0243 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1327 -2.6827 0.9499 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2337 -2.3544 2.2892 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7235 -2.7936 3.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7867 -3.5646 2.7363 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8858 -3.8926 1.3919 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -3.4509 0.5019 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7294 -3.9982 3.6139 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7957 -4.7876 3.0831 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 -2.8111 -0.3606 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 3.4395 0.0068 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1099 4.0788 0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0794 5.5971 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2889 6.2816 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1071 7.7393 0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3838 8.4294 -0.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1354 9.9334 -0.3174 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4707 10.4528 0.9605 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1676 9.6844 1.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4731 8.1876 1.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1645 11.9440 0.8078 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3549 12.6441 0.5843 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5573 12.4174 1.9759 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3011 12.1341 -0.2765 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.9046 0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3122 1.9417 -0.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9278 -0.5533 0.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3984 -0.1852 -0.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1604 -0.6610 0.9744 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5678 -3.8265 0.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 -2.5466 1.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9244 -2.5460 -1.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0617 -1.7545 2.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6440 -2.5372 4.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7123 -4.4929 1.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0049 -3.7026 -0.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3370 -4.2103 2.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3875 -5.6877 2.6234 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4762 -5.0671 3.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2497 -2.7303 0.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6909 -3.8612 -0.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5569 -2.3762 -1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6726 3.7850 -0.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6569 3.7788 0.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6421 5.8909 0.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6263 5.8972 -0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8516 5.9878 -0.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8358 5.9815 0.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8439 8.0538 -1.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0492 8.2455 0.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4811 10.1191 -1.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0849 10.4470 -0.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1411 10.3024 1.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5176 9.8662 0.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2887 10.0201 2.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1474 8.0048 2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4545 7.6364 1.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 2 0 0 0 0 1 34 1 0 0 0 0 2 20 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 35 1 0 0 0 0 4 5 2 0 0 0 0 4 36 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 19 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 13 14 2 0 0 0 0 13 43 1 0 0 0 0 14 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 23 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 24 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 27 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 27 62 1 0 0 0 0 28 29 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 M END > (493968) 493968 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 63 66 0 0 0 999 V2000 -0.0147 1.3769 -0.0556 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1796 2.0824 -0.0547 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3833 1.3966 -0.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0046 -0.0025 -0.0813 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 -0.6878 -0.1049 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3992 0.0109 -0.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7326 -0.6896 -0.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5751 -2.0817 -0.5538 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5460 -2.7537 0.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1783 -2.1945 -0.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1367 -2.6942 0.8299 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2381 -2.3849 2.1737 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7185 -2.8370 3.0619 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7816 -3.6020 2.6045 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8810 -3.9111 1.2557 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9219 -3.4565 0.3716 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7236 -4.0484 3.4764 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7899 -4.8307 2.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8533 -2.8024 -0.4843 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1691 3.4412 -0.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1091 4.0798 -0.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0796 5.5979 0.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2889 6.2816 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1084 7.7342 0.1627 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 8.2819 -1.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6286 9.8003 -1.0703 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1487 10.5401 0.3974 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6126 9.5592 1.7256 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4194 8.0728 1.4101 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5415 10.2603 0.3653 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2907 11.8863 0.5160 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9563 1.9053 -0.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3139 1.9446 -0.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9251 -0.5521 -0.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4008 -0.1722 -0.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1634 -0.6708 0.8802 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5719 -3.8263 0.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7297 -2.5633 1.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9275 -2.5293 -1.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0661 -1.7895 2.5293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6386 -2.5954 4.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7077 -4.5065 0.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9989 -3.6969 -0.6785 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3317 -4.2431 2.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3814 -5.7240 2.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4698 -5.1218 3.7356 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2538 -2.7350 0.5272 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6947 -3.8492 -0.7432 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5597 -2.3577 -1.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6722 3.7973 -0.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6554 3.7677 0.8808 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6427 5.8803 0.9037 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6259 5.9099 -0.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8225 6.0595 -0.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8642 5.9130 0.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6316 8.0556 -0.9612 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8521 7.8307 -1.9155 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1607 10.1972 -1.9712 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6937 10.0320 -1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1342 9.7966 2.6758 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6773 9.7855 1.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8285 7.4738 2.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6445 7.8602 1.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 2 0 0 0 0 1 32 1 0 0 0 0 2 20 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 19 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 41 1 0 0 0 0 14 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 27 30 2 0 0 0 0 27 31 2 0 0 0 0 28 29 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 M END > (493971) 493971 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 57 60 0 0 0 999 V2000 -0.0167 1.3829 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2141 -0.6751 -0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1715 2.0842 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 1.4114 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 0.0323 -0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6979 -0.7417 -0.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8177 0.1145 0.3526 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8312 1.3477 -0.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6547 2.2223 -0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5097 3.3772 -0.9731 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2568 3.1371 -2.3111 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1178 4.1942 -3.1895 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2322 5.4976 -2.7281 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 5.7358 -1.3852 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6241 4.6753 -0.5108 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0964 6.5392 -3.5904 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2265 7.8537 -3.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0954 -0.6015 0.2391 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1639 -0.7021 0.0123 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3744 0.0572 0.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5729 -0.8939 0.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8689 -0.0810 0.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0196 -0.9941 0.0692 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2734 -0.2618 0.3273 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9385 -1.1334 -0.7472 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5102 -1.2395 -1.2998 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9582 1.9121 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2303 -1.7550 -0.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1572 3.1641 0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6252 -1.5857 0.6353 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8746 -1.1134 -1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7662 1.8828 -0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7316 1.0981 -1.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8412 2.6051 0.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1682 2.1223 -2.6698 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9207 4.0062 -4.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5759 6.7495 -1.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8217 4.8602 0.5347 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2160 7.9672 -2.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0966 8.5903 -3.8383 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4661 8.0064 -2.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2147 -0.9727 -0.7788 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9146 0.0772 0.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1050 -1.4402 0.9352 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3984 0.6808 0.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4199 0.6903 -0.8552 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5488 -1.5175 -0.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5274 -1.5270 0.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8929 0.5426 0.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9144 0.5521 -0.8259 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6736 -0.4252 1.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2227 0.7937 0.0601 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3429 -2.0735 -0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6288 -0.5936 -1.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2558 -0.4449 -2.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2636 -2.2316 -1.6781 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 1 28 1 0 0 0 0 2 20 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 19 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 14 2 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 M END > (493973) 493973 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 57 60 0 0 0 999 V2000 -0.0167 1.3829 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2141 -0.6751 -0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1715 2.0842 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 1.4114 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 0.0323 -0.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6979 -0.7418 -0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8177 0.1152 0.3535 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8311 1.3470 -0.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6547 2.2223 -0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5097 3.3761 -0.9762 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2569 3.1344 -2.3139 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1179 4.1904 -3.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2323 5.4943 -2.7338 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 5.7342 -1.3911 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6241 4.6747 -0.5155 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0965 6.5349 -3.5973 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8362 6.2132 -4.9651 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0954 -0.6009 0.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1639 -0.7021 0.0119 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3744 0.0572 0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5729 -0.8939 0.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8689 -0.0810 0.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0196 -0.9941 0.0672 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2735 -0.2618 0.3249 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9383 -1.1334 -0.7498 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5098 -1.2395 -1.3019 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4575 -2.3400 -0.2684 F 0 0 0 0 0 0 0 0 0 0 0 0 -8.8240 -0.4405 -1.5820 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9582 1.9121 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2303 -1.7550 -0.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1572 3.1641 0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6251 -1.5846 0.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8748 -1.1153 -1.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7661 1.8823 -0.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7313 1.0956 -1.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8411 2.6064 0.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1683 2.1191 -2.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9208 4.0011 -4.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5758 6.7484 -1.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8216 4.8609 0.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6550 5.6109 -5.3587 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9051 5.6509 -5.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7502 7.1324 -5.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2148 -0.9738 -0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9145 0.0782 0.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1049 -1.4385 0.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3987 0.6808 0.9238 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4196 0.6903 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5485 -1.5175 -0.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5277 -1.5270 0.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8932 0.5426 0.9523 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9141 0.5521 -0.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6741 -0.4252 1.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2227 0.7937 0.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2552 -0.4449 -2.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2631 -2.2316 -1.6801 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 1 30 1 0 0 0 0 2 20 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 19 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 M END > (493974) 493974 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 60 63 0 0 0 999 V2000 -0.0166 1.3755 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 2.0806 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3814 1.3941 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2072 -0.6901 -0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3967 0.0081 -0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7298 -0.6931 -0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5721 -2.0907 -0.4410 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5422 -2.7516 0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -2.1971 -0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1326 -2.6836 0.9486 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2333 -2.3567 2.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 -2.7967 3.1817 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7871 -3.5673 2.7338 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8859 -3.8940 1.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -3.4515 0.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7299 -4.0018 3.6108 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5641 -3.6272 4.9799 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8499 -2.8109 -0.3612 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 3.4395 0.0068 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1099 4.0788 0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0794 5.5971 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2889 6.2816 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1071 7.7393 0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3890 8.4322 -0.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6112 9.3826 1.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1760 9.5942 1.5618 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5429 8.1998 1.3286 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1608 10.5958 0.5838 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.4269 8.7817 1.9768 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.9046 0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3122 1.9417 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9278 -0.5533 0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3987 -0.1851 -0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1600 -0.6613 0.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5678 -3.8267 0.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7253 -2.5474 1.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9246 -2.5450 -1.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0613 -1.7571 2.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6447 -2.5414 4.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7124 -4.4941 1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0025 -3.7055 -0.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6166 -4.0177 5.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5664 -2.5403 5.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3829 -4.0380 5.5707 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2498 -2.7304 0.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6910 -3.8610 -0.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5570 -2.3758 -1.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6726 3.7850 -0.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6569 3.7788 0.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 5.8910 0.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6263 5.8972 -0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8516 5.9877 -0.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8358 5.9815 0.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3429 9.0054 -1.1093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1995 7.7051 -0.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6498 10.3618 0.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1970 9.8409 2.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8219 7.5173 2.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5418 8.2823 1.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 2 0 0 0 0 1 31 1 0 0 0 0 2 20 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 19 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 27 1 0 0 0 0 26 29 1 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 M END > (493976) 493976 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 56 58 0 0 0 999 V2000 -0.0167 1.3829 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2141 -0.6751 -0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1715 2.0842 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 1.4114 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 0.0323 -0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6979 -0.7417 -0.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8177 0.1145 0.3526 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8312 1.3477 -0.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6547 2.2223 -0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5097 3.3772 -0.9731 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2568 3.1371 -2.3111 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1178 4.1942 -3.1895 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2322 5.4976 -2.7281 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 5.7358 -1.3852 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6241 4.6753 -0.5108 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0964 6.5392 -3.5904 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2265 7.8537 -3.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0954 -0.6015 0.2391 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1639 -0.7021 0.0123 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3744 0.0572 0.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5729 -0.8939 0.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8689 -0.0810 0.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0196 -0.9941 0.0692 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2843 -0.2471 0.0884 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4570 -1.2298 0.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9582 1.9121 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2303 -1.7550 -0.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1572 3.1641 0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6252 -1.5857 0.6353 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8746 -1.1134 -1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7662 1.8828 -0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7316 1.0981 -1.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8412 2.6051 0.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1682 2.1223 -2.6698 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9207 4.0062 -4.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5759 6.7495 -1.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8217 4.8602 0.5347 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2160 7.9672 -2.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0966 8.5903 -3.8383 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4661 8.0064 -2.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2147 -0.9727 -0.7788 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9146 0.0772 0.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1050 -1.4402 0.9352 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3984 0.6808 0.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4199 0.6903 -0.8552 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5488 -1.5175 -0.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5274 -1.5270 0.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8929 0.5426 0.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9144 0.5521 -0.8259 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9852 -1.6268 -0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3251 0.3754 0.9823 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3465 0.3848 -0.7975 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4162 -1.8522 -0.7966 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3948 -1.8617 0.9832 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3954 -0.6755 0.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 1 27 1 0 0 0 0 2 20 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 19 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 M END > (493977) 493977 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 62 64 0 0 0 999 V2000 0.1008 -0.2879 0.3234 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2363 -1.6332 0.3497 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7617 -2.5905 0.4346 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4272 0.0873 0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4252 -0.8718 0.4694 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0933 -2.2103 0.4936 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1424 -3.2878 0.5799 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4169 -2.7279 1.0404 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7963 -1.5740 0.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8589 -0.4114 0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0752 0.7011 -0.4553 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8535 0.4770 -1.8016 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0455 1.4968 -2.7135 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4613 2.7465 -2.2775 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6831 2.9687 -0.9262 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4896 1.9457 -0.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6514 3.7511 -3.1728 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0800 5.0112 -2.6525 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4727 -3.7493 1.0364 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5405 -2.0108 0.2930 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5145 -0.9687 0.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9149 -1.5826 0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9577 -0.4668 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3022 -1.0562 0.0091 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6281 -1.7360 1.2699 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3108 -0.0390 -0.3165 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8259 -2.6632 1.0546 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2495 0.2798 -1.8116 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 0.4631 0.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5008 -3.6383 0.4552 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6899 1.1347 0.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8128 -4.0555 1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2807 -3.7350 -0.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8251 -1.2877 0.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7020 -1.8348 -0.8444 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0742 -0.0466 1.5424 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5301 -0.4961 -2.1405 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8725 1.3212 -3.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0072 3.9406 -0.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6621 2.1182 1.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3377 5.3843 -1.9468 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0358 4.8879 -2.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1932 5.7225 -3.4706 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5562 -4.1816 0.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4221 -3.2917 1.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2233 -4.5325 1.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4342 -0.3233 1.0818 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3400 -0.3817 -0.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9951 -2.2279 -0.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0894 -2.1695 1.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8774 0.1785 0.9358 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7832 0.1202 -0.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7698 -2.3217 1.5992 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8747 -0.9942 2.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3020 -0.4168 -0.0659 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1116 0.8666 0.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6310 -3.3173 0.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9838 -3.2664 1.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7164 -2.0664 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2560 0.6507 -2.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4560 -0.6241 -2.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9928 1.0400 -2.0518 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 1 29 1 0 0 0 0 2 20 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 19 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 28 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 M END > (493979) 493979 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 57 60 0 0 0 999 V2000 -0.0166 1.3755 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 2.0806 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3814 1.3941 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2072 -0.6901 -0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3967 0.0081 -0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7298 -0.6931 -0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5721 -2.0907 -0.4410 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5422 -2.7516 0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -2.1971 -0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1326 -2.6836 0.9486 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2333 -2.3567 2.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 -2.7967 3.1817 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7871 -3.5673 2.7338 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8859 -3.8940 1.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -3.4515 0.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7299 -4.0018 3.6108 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5641 -3.6272 4.9799 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8499 -2.8109 -0.3612 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 3.4395 0.0068 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1099 4.0788 0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0794 5.5971 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2889 6.2816 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1071 7.7393 0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4028 8.4314 0.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4414 9.8471 0.6347 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5714 9.6340 -0.8748 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.9046 0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3122 1.9417 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9278 -0.5533 0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3987 -0.1851 -0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1600 -0.6613 0.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5678 -3.8267 0.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7253 -2.5474 1.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9246 -2.5450 -1.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0613 -1.7571 2.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6447 -2.5414 4.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7124 -4.4941 1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0025 -3.7055 -0.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3829 -4.0380 5.5707 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6166 -4.0177 5.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5664 -2.5403 5.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2498 -2.7304 0.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6910 -3.8610 -0.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5570 -2.3758 -1.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6726 3.7850 -0.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6569 3.7788 0.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 5.8910 0.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6263 5.8972 -0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8516 5.9877 -0.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8358 5.9815 0.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5334 8.0303 0.8193 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2732 7.7963 0.2207 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3374 10.1436 1.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5054 10.2650 1.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 9.9118 -1.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5528 9.7903 -1.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 2 0 0 0 0 1 28 1 0 0 0 0 2 20 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 19 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 14 2 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 M END > (493982) 493982 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 64 68 0 0 0 999 V2000 0.5626 1.5059 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6779 2.3069 0.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9286 1.7247 0.2125 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 0.1355 -0.1813 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9596 -0.4460 -0.0542 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0701 0.3476 0.1441 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4495 -0.2388 0.2933 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4781 -1.6176 -0.2046 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4089 -2.4089 0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0660 -1.9471 -0.1422 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9470 -2.5752 0.6479 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8308 -2.3207 2.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1975 -2.8908 2.7273 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1139 -3.7192 2.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9951 -3.9729 0.7373 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0349 -3.4004 0.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1261 -4.2815 2.8075 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1865 -3.9760 4.2022 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7924 -2.2327 0.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5443 3.6577 0.1517 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2242 4.1868 0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2729 5.7126 0.1134 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1404 6.2791 -0.0366 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1084 7.7342 0.1627 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3488 8.3585 -0.3165 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8618 8.0673 1.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8053 9.5492 1.9482 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0103 8.7009 2.3596 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7171 8.1595 -1.7881 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5050 7.4316 -0.6971 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 1.9531 -0.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7978 2.3471 0.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1611 -0.4884 -0.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1596 0.3633 -0.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -0.2305 1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5562 -3.4658 0.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4245 -2.2529 1.5035 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9898 -2.2547 -1.1851 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5447 -1.6761 2.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2876 -2.6920 3.7851 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7071 -4.6177 0.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1278 -3.5976 -1.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2683 -4.3077 4.6869 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2986 -2.8998 4.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0388 -4.4876 4.6495 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0392 -2.1791 1.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7649 -3.2760 -0.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5483 -1.6994 -0.5525 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1810 3.9001 -0.9587 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 3.7900 0.8027 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6782 5.9993 1.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9092 6.1094 -0.6777 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5167 6.0573 -1.0352 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7948 5.8248 0.7074 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6001 9.3158 0.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1995 7.3866 2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1061 9.8434 2.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9511 10.2770 1.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9489 8.8706 1.8321 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1039 8.4370 3.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2111 8.9856 -2.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0391 7.5652 -2.4007 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3453 6.3585 -0.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5174 7.7790 -0.4907 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 2 0 0 0 0 1 31 1 0 0 0 0 2 20 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 19 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 29 1 0 0 0 0 25 30 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 56 1 0 0 0 0 27 28 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 30 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 M END > (493984) 493984 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 68 71 0 0 0 999 V2000 -0.0166 1.3755 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 2.0806 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3814 1.3941 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2072 -0.6901 -0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3967 0.0081 -0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7298 -0.6931 -0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5721 -2.0907 -0.4410 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5422 -2.7516 0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -2.1971 -0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1326 -2.6836 0.9486 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2333 -2.3567 2.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 -2.7967 3.1817 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7871 -3.5673 2.7338 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8859 -3.8940 1.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -3.4515 0.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7299 -4.0018 3.6108 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7962 -4.7907 3.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8499 -2.8109 -0.3612 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 3.4395 0.0068 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1099 4.0788 0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0794 5.5971 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2889 6.2816 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1071 7.7393 0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3848 8.4299 -0.1826 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1669 9.9421 -0.0927 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1682 10.3507 -1.0903 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1094 9.6602 -0.8658 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1085 8.1479 -0.9557 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9865 11.8084 -1.0868 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2242 12.1735 -1.9482 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.9046 0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3122 1.9417 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9278 -0.5533 0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3987 -0.1851 -0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1600 -0.6613 0.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5678 -3.8267 0.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7253 -2.5474 1.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9246 -2.5450 -1.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0613 -1.7571 2.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6447 -2.5414 4.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7126 -4.4937 1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0025 -3.7055 -0.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3373 -4.2127 2.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3878 -5.6903 2.6186 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4767 -5.0710 3.8831 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2498 -2.7304 0.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6910 -3.8610 -0.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5570 -2.3758 -1.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6726 3.7850 -0.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6569 3.7788 0.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 5.8910 0.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6263 5.8972 -0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8516 5.9877 -0.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8358 5.9815 0.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7667 8.1757 -1.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1037 8.1203 0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1075 10.4573 -0.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8108 10.1996 0.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8283 9.9697 -1.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4913 9.9144 0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8321 7.6328 -0.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4645 7.8905 -1.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8782 12.2868 -1.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8223 12.1517 -0.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3590 13.2551 -1.9456 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1159 11.6952 -1.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 11.8303 -2.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 2 0 0 0 0 1 32 1 0 0 0 0 2 20 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 19 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 41 1 0 0 0 0 14 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 30 31 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 M END > (493986) 493986 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 71 74 0 0 0 999 V2000 -0.0166 1.3755 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 2.0806 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3814 1.3941 -0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2072 -0.6901 -0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3967 0.0081 -0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7298 -0.6931 -0.0264 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5720 -2.0908 -0.4407 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5421 -2.7513 0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1749 -2.1971 -0.0243 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1327 -2.6827 0.9499 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2337 -2.3544 2.2892 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7235 -2.7936 3.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7867 -3.5646 2.7363 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8858 -3.8926 1.3919 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -3.4509 0.5019 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7294 -3.9982 3.6139 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7957 -4.7876 3.0831 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 -2.8111 -0.3606 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 3.4395 0.0068 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1099 4.0788 0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0794 5.5971 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2889 6.2816 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1071 7.7393 0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3847 8.4299 -0.1825 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1669 9.9421 -0.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1682 10.3507 -1.0903 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1094 9.6602 -0.8657 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1084 8.1479 -0.9556 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9864 11.8084 -1.0868 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1453 12.1836 -2.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2824 12.4851 -1.5378 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.9046 0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3122 1.9417 -0.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9278 -0.5533 0.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3984 -0.1852 -0.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1604 -0.6610 0.9744 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5678 -3.8265 0.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 -2.5466 1.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9244 -2.5460 -1.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0617 -1.7545 2.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6440 -2.5372 4.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7125 -4.4926 1.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0027 -3.7060 -0.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3370 -4.2103 2.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3875 -5.6877 2.6234 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4762 -5.0671 3.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2497 -2.7303 0.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6909 -3.8612 -0.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5569 -2.3762 -1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6726 3.7850 -0.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6569 3.7788 0.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6421 5.8909 0.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6263 5.8972 -0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8516 5.9878 -0.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8358 5.9815 0.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7667 8.1757 -1.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1037 8.1203 0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1075 10.4573 -0.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8108 10.1996 0.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8284 9.9697 -1.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4914 9.9144 0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8322 7.6328 -0.7607 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4645 7.8905 -1.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7345 12.1408 -0.0797 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2801 13.2652 -2.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0685 11.7015 -1.7243 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1067 11.8513 -3.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0886 12.2178 -0.8547 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1476 13.5667 -1.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5344 12.1528 -2.5449 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 2 0 0 0 0 1 33 1 0 0 0 0 2 20 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 19 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 42 1 0 0 0 0 14 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 24 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 27 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 65 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 32 69 1 0 0 0 0 32 70 1 0 0 0 0 32 71 1 0 0 0 0 M END > (493987) 493987 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 69 73 0 0 0 999 V2000 -0.0166 1.3755 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 2.0806 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3814 1.3941 -0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2072 -0.6901 -0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3967 0.0081 -0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7298 -0.6931 -0.0264 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5720 -2.0908 -0.4407 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5421 -2.7513 0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1749 -2.1971 -0.0243 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1327 -2.6827 0.9499 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2337 -2.3544 2.2892 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7235 -2.7936 3.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7867 -3.5646 2.7363 C 0 0 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 0 4.3984 -0.1852 -0.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1604 -0.6610 0.9744 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5678 -3.8265 0.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 -2.5466 1.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9244 -2.5460 -1.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0617 -1.7545 2.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6440 -2.5372 4.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7125 -4.4926 1.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0027 -3.7060 -0.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3875 -5.6877 2.6234 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4762 -5.0671 3.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3370 -4.2103 2.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2497 -2.7303 0.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6909 -3.8612 -0.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5569 -2.3762 -1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6726 3.7850 -0.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6569 3.7788 0.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6421 5.8909 0.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6263 5.8972 -0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8516 5.9878 -0.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8358 5.9815 0.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7667 8.1757 -1.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1037 8.1203 0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1075 10.4573 -0.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8108 10.1996 0.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8284 9.9697 -1.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4914 9.9144 0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8322 7.6328 -0.7607 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4645 7.8905 -1.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1637 12.3020 -0.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6477 13.2602 -1.6262 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6904 11.6848 -2.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7522 11.9908 -3.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7948 13.5663 -2.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 2 0 0 0 0 1 33 1 0 0 0 0 2 20 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 19 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 42 1 0 0 0 0 14 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 24 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 27 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 65 1 0 0 0 0 31 32 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 32 68 1 0 0 0 0 32 69 1 0 0 0 0 M END > (493990) 493990 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 73 77 0 0 0 999 V2000 0.3027 0.8081 2.0619 C 0 0 0 0 0 0 0 0 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1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9653 1.8215 3.7624 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1439 4.0730 3.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3183 5.9694 1.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1556 3.2600 -1.5258 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9818 1.3690 0.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4231 6.3942 -2.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1869 4.8240 -2.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4127 4.9637 -2.4907 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4355 -1.8834 2.4441 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9400 -0.8718 3.8191 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9782 -2.3426 4.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2434 0.2366 2.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9258 0.2470 0.7494 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1509 -1.8961 0.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4685 -1.9065 2.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7018 0.2343 2.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3842 0.2447 0.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0825 0.0025 1.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8928 0.3465 0.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0691 -0.7652 0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0351 -1.7717 -0.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0349 -4.0187 2.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8453 -3.6747 0.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8586 -2.9070 1.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8927 -1.9006 2.9442 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7101 -3.1276 1.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4169 -5.4712 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1587 -6.3900 0.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1821 -4.9683 0.9102 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9257 -0.8167 1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 1 37 1 0 0 0 0 2 20 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 38 1 0 0 0 0 4 5 2 0 0 0 0 4 39 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 19 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 10 44 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 45 1 0 0 0 0 13 14 2 0 0 0 0 13 46 1 0 0 0 0 14 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 47 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 23 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 23 24 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 26 27 1 0 0 0 0 26 63 1 0 0 0 0 26 64 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 30 31 2 0 0 0 0 30 35 1 0 0 0 0 31 32 1 0 0 0 0 31 36 1 0 0 0 0 32 33 2 0 0 0 0 32 69 1 0 0 0 0 33 34 1 0 0 0 0 33 70 1 0 0 0 0 34 35 2 0 0 0 0 34 71 1 0 0 0 0 35 72 1 0 0 0 0 36 73 1 0 0 0 0 M END > (493992) 493992 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 73 77 0 0 0 999 V2000 -0.0167 1.3829 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2141 -0.6751 -0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1715 2.0842 0.0021 C 0 0 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0.3226 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4493 -1.2357 0.2448 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2602 -2.3119 1.2276 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0107 -3.0416 0.9713 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8305 -2.0702 1.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3505 -3.1770 1.2358 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3654 -4.2670 2.1012 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4421 -5.1246 2.1119 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5216 -4.8995 1.2524 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5035 -3.8034 0.3847 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4258 -2.9470 0.3826 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6431 -5.7899 1.2605 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5328 -6.4963 1.2670 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9582 1.9121 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2303 -1.7550 -0.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1572 3.1641 0.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6249 -1.5847 0.6387 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 -1.1152 -1.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7660 1.8824 -0.2856 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7307 1.0962 -1.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8408 2.6082 0.9852 H 0 0 0 0 0 0 0 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H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0482 -3.4894 -0.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9054 -2.6037 0.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7767 -1.6430 2.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5312 -4.4402 2.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4527 -5.9705 2.7831 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3356 -3.6269 -0.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4113 -2.0999 -0.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 1 38 1 0 0 0 0 2 20 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 39 1 0 0 0 0 4 5 2 0 0 0 0 4 40 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 19 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 43 1 0 0 0 0 9 44 1 0 0 0 0 10 11 1 0 0 0 0 10 45 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 46 1 0 0 0 0 13 14 2 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 48 1 0 0 0 0 16 49 1 0 0 0 0 17 18 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 21 1 0 0 0 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0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 2 0 0 0 0 1 35 1 0 0 0 0 2 20 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 36 1 0 0 0 0 4 5 2 0 0 0 0 4 37 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 19 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 13 14 2 0 0 0 0 13 44 1 0 0 0 0 14 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 23 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 24 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 26 27 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 30 31 1 0 0 0 0 30 34 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 67 1 0 0 0 0 33 34 1 0 0 0 0 33 68 1 0 0 0 0 M END > (493998) 493998 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 71 75 0 0 0 999 V2000 -0.0166 1.3755 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 2.0806 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3814 1.3941 -0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2072 -0.6901 -0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3967 0.0081 -0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7298 -0.6931 -0.0264 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5720 -2.0908 -0.4407 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5421 -2.7513 0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1749 -2.1971 -0.0243 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1327 -2.6827 0.9499 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -3.4509 0.5019 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8796 -3.9021 1.3938 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7744 -3.5837 2.7399 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7112 -2.8127 3.1869 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2398 -2.3640 2.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7115 -4.0260 3.6192 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5392 -3.6597 4.9897 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 -2.8111 -0.3606 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 3.4395 0.0068 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1099 4.0788 0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0794 5.5971 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2889 6.2816 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1071 7.7393 0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3847 8.4299 -0.1825 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1669 9.9421 -0.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1682 10.3507 -1.0903 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1094 9.6602 -0.8657 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1084 8.1479 -0.9556 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0928 12.3423 -1.9569 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9960 11.7317 -1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7224 12.5413 -0.2139 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5227 13.9054 -0.2424 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 14.4454 -1.0810 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0479 13.7136 -1.9225 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.9046 0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3122 1.9417 -0.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9278 -0.5533 0.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3984 -0.1852 -0.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1604 -0.6610 0.9744 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5678 -3.8265 0.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 -2.5466 1.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9227 -2.5459 -1.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0077 -3.6982 -0.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7066 -4.5019 1.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6272 -2.5632 4.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0677 -1.7637 2.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5888 -4.0503 5.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5436 -2.5734 5.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3538 -4.0761 5.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2497 -2.7303 0.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6909 -3.8612 -0.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5569 -2.3762 -1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6726 3.7850 -0.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6569 3.7788 0.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6421 5.8909 0.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6263 5.8972 -0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8516 5.9878 -0.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8358 5.9815 0.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7667 8.1757 -1.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1037 8.1203 0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1075 10.4573 -0.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8108 10.1996 0.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8284 9.9697 -1.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4914 9.9144 0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8322 7.6328 -0.7607 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4645 7.8905 -1.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4912 11.7490 -2.6449 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4315 12.1059 0.4746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0811 14.5401 0.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7449 14.1950 -2.5925 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 2 0 0 0 0 1 36 1 0 0 0 0 2 20 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 37 1 0 0 0 0 4 5 2 0 0 0 0 4 38 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 19 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 13 14 2 0 0 0 0 13 45 1 0 0 0 0 14 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 22 23 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 23 24 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 27 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 27 28 1 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 30 31 2 0 0 0 0 30 35 1 0 0 0 0 30 68 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 69 1 0 0 0 0 33 34 1 0 0 0 0 33 70 1 0 0 0 0 34 35 2 0 0 0 0 35 71 1 0 0 0 0 M END > (494000) 494000 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 75 79 0 0 0 999 V2000 -0.0167 1.3829 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2141 -0.6750 -0.0149 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1715 2.0843 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3841 1.4115 -0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4059 0.0325 -0.0232 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6979 -0.7417 -0.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8166 0.1143 0.3608 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8326 1.3475 -0.4421 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6548 2.2223 -0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5116 3.3771 -0.9677 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6149 4.6754 -0.5036 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4897 5.7356 -1.3804 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 5.4967 -2.7275 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1569 4.1931 -3.1907 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2828 3.1363 -2.3099 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1362 6.5380 -3.5920 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9008 6.2172 -4.9645 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0945 -0.6018 0.2511 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1639 -0.7021 0.0115 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3744 0.0571 0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5729 -0.8940 0.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8689 -0.0811 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0196 -0.9943 0.0642 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2692 -0.2646 0.3201 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4493 -1.2360 0.2418 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2606 -2.3122 1.2246 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0109 -3.0419 0.9688 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8308 -2.0705 1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3546 -3.1804 1.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3731 -4.2692 2.0949 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4566 -5.1255 2.1004 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5224 -4.8999 1.2487 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5073 -3.8170 0.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4293 -2.9538 0.3819 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7029 -5.8367 1.2572 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6494 -5.3858 2.1833 F 0 0 0 0 0 0 0 0 0 0 0 0 -13.2783 -5.8734 -0.0175 F 0 0 0 0 0 0 0 0 0 0 0 0 -12.2767 -7.1207 1.6135 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9582 1.9120 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 10 47 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 48 1 0 0 0 0 13 14 2 0 0 0 0 13 49 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 50 1 0 0 0 0 16 51 1 0 0 0 0 17 18 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 23 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 23 24 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 26 27 1 0 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 68 1 0 0 0 0 28 69 1 0 0 0 0 29 70 1 0 0 0 0 29 71 1 0 0 0 0 30 31 2 0 0 0 0 30 35 1 0 0 0 0 31 32 1 0 0 0 0 31 72 1 0 0 0 0 32 33 2 0 0 0 0 32 73 1 0 0 0 0 33 34 1 0 0 0 0 33 36 1 0 0 0 0 34 35 2 0 0 0 0 34 74 1 0 0 0 0 35 75 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 39 1 0 0 0 0 M END > (494002) 494002 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 67 70 0 0 0 999 V2000 -0.0166 1.3755 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 2.0806 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3814 1.3941 -0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2072 -0.6901 -0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3967 0.0081 -0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7298 -0.6931 -0.0264 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5720 -2.0908 -0.4407 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5421 -2.7513 0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1749 -2.1971 -0.0243 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1327 -2.6827 0.9499 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2337 -2.3544 2.2892 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7235 -2.7936 3.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7867 -3.5646 2.7363 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8858 -3.8926 1.3919 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -3.4509 0.5019 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7294 -3.9982 3.6139 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7957 -4.7876 3.0831 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 -2.8111 -0.3606 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 3.4395 0.0068 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1099 4.0788 0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0794 5.5971 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2889 6.2816 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1071 7.7393 0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3842 8.4296 -0.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1865 9.9372 0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0816 10.3765 -0.8578 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1911 9.6427 -0.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1002 8.1467 -0.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2313 11.4240 -1.6926 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2877 12.0179 -1.7369 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0859 11.8572 -2.5709 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.9046 0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3122 1.9417 -0.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9278 -0.5533 0.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3984 -0.1852 -0.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1604 -0.6610 0.9744 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5678 -3.8265 0.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 -2.5466 1.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9244 -2.5460 -1.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0617 -1.7545 2.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6440 -2.5372 4.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7125 -4.4926 1.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0027 -3.7060 -0.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4762 -5.0671 3.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3370 -4.2103 2.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3875 -5.6877 2.6234 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2497 -2.7303 0.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6909 -3.8612 -0.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5569 -2.3762 -1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6726 3.7850 -0.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6569 3.7788 0.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6421 5.8909 0.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6263 5.8972 -0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8516 5.9878 -0.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8358 5.9815 0.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7303 8.2334 -1.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1241 8.0669 0.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0999 10.4641 -0.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9410 10.1458 1.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8498 9.9748 -1.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6653 9.8229 0.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8164 7.5787 -0.7879 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4781 7.9544 -1.9511 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 11.3262 -3.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1512 12.9303 -2.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8581 11.6283 -2.0762 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 2 0 0 0 0 1 33 1 0 0 0 0 2 20 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 19 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 42 1 0 0 0 0 14 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 24 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 27 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 M END > (494004) 494004 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 73 76 0 0 0 999 V2000 -2.4602 1.4025 -1.4876 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1336 1.8067 -1.4541 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1254 0.8710 -1.6202 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7661 0.0722 -1.6882 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7560 -0.8632 -1.8559 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 -0.4650 -1.8197 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6949 -1.4452 -1.9906 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2075 -2.6926 -2.5875 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9372 -3.2108 -1.8215 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1415 -2.3038 -2.0758 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2549 -2.6737 -1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4706 -3.1033 -1.6295 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4928 -3.4430 -0.7646 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2989 -3.3528 0.6061 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0782 -2.9216 1.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0573 -2.5884 0.2358 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3031 -3.6860 1.4590 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0325 -3.5688 2.8572 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2814 -3.6916 -2.6698 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8241 3.1156 -1.2596 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9159 4.0230 -1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3753 5.4395 -0.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5442 6.4110 -0.7148 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0252 7.7709 -0.5170 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1075 8.7621 -0.5818 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5586 10.1390 -0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3936 10.4340 -1.0409 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3280 9.4246 -1.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9646 8.0759 -1.4867 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3048 11.5985 -1.7136 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2310 12.3812 -1.6959 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0544 11.9281 -2.4876 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3781 12.9710 -3.5593 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0030 12.4879 -1.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2507 2.1260 -1.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9079 1.1843 -1.5945 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7988 -0.2429 -1.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4543 -1.0087 -2.6393 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1348 -1.6602 -1.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1672 -4.2250 -2.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6967 -3.2106 -0.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4809 -2.4349 -3.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6212 -3.1729 -2.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4423 -3.7781 -1.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9248 -2.8506 2.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1068 -2.2526 0.6234 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7789 -2.5353 3.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9151 -3.8648 3.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1969 -4.2172 3.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7032 -3.8542 -1.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8769 -4.6293 -3.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0609 -3.3325 -3.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5441 3.9999 -1.9864 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5055 3.7293 -0.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7471 5.4626 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7857 5.7332 -1.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1725 6.3878 -1.6053 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1338 6.1172 0.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5041 8.8018 -1.5963 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9018 8.4789 0.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3265 10.8967 -0.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2565 10.1303 0.8542 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 9.7101 -1.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1886 9.3473 -0.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2049 7.2950 -1.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3911 8.1252 -2.4886 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3271 11.0246 -2.9633 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7596 13.8744 -3.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5263 13.2093 -4.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1314 12.5721 -4.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8901 12.7708 -2.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6039 13.3639 -1.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2684 11.7279 -0.7992 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 2 0 0 0 0 1 35 1 0 0 0 0 2 20 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 36 1 0 0 0 0 4 5 2 0 0 0 0 4 37 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 19 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 13 14 2 0 0 0 0 13 44 1 0 0 0 0 14 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 23 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 24 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 26 27 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 67 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 33 70 1 0 0 0 0 34 71 1 0 0 0 0 34 72 1 0 0 0 0 34 73 1 0 0 0 0 M END > (494006) 494006 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 75 79 0 0 0 999 V2000 -0.0867 2.2144 3.9482 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0605 0.8505 3.7424 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2781 0.2433 4.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9795 2.9560 4.4138 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1972 2.3466 4.6772 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3478 0.9914 4.4699 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6527 0.2871 4.7348 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 1.1100 5.5870 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6577 2.4596 5.0174 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3305 3.1992 5.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3741 4.4906 4.4125 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2259 5.6968 5.0718 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2712 6.8823 4.3639 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4655 6.8617 2.9904 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6140 5.6501 2.3313 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5679 4.4674 3.0437 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5100 8.0265 2.2918 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7132 7.9293 0.8807 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8294 0.4773 5.7728 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9857 0.1127 3.2864 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2100 0.8068 3.0388 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2635 -0.1815 2.5345 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5744 0.5617 2.2694 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5859 -0.3872 1.7852 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9157 0.2358 1.7451 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9038 -0.7202 1.0685 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8455 -2.0177 1.7585 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5284 -2.6408 1.9589 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5944 -1.6092 2.6004 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9693 -2.6200 2.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0371 -2.0407 2.1244 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9053 -3.9738 2.7563 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8886 -4.8861 2.5694 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2352 -6.0390 3.2808 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4310 -5.8158 3.8766 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8465 -4.5627 3.5700 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.0936 -3.9414 4.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0314 2.6949 3.7405 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3941 -0.8185 3.8442 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8650 4.0177 4.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4545 -0.6618 5.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1575 0.0968 3.7877 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4470 2.9979 5.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9023 2.3861 3.9577 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1713 3.4180 6.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0742 5.7123 6.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1550 7.8243 4.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7650 5.6314 1.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6834 3.5238 2.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6636 7.4332 0.6838 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9029 7.3517 0.4358 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7282 8.9288 0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2820 0.2870 4.7997 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4739 1.1404 6.3499 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7063 -0.4649 6.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5584 1.2696 3.9621 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0449 1.5774 2.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9151 -0.6443 1.6112 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4287 -0.9521 3.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9228 1.0245 3.1927 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4093 1.3323 1.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2500 0.4453 2.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8645 1.1662 1.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9127 -0.3135 1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6295 -0.8496 0.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6279 -3.5039 2.6171 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1218 -2.9549 0.9975 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5850 -2.0168 2.6552 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9471 -1.3741 3.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9935 -4.7384 1.9834 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6529 -6.9464 3.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9646 -6.5202 4.4975 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8990 -3.3414 4.9114 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4889 -3.3028 3.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8209 -4.7176 4.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 1 38 1 0 0 0 0 2 20 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 39 1 0 0 0 0 4 5 2 0 0 0 0 4 40 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 19 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 43 1 0 0 0 0 9 44 1 0 0 0 0 10 11 1 0 0 0 0 10 45 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 46 1 0 0 0 0 13 14 2 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 48 1 0 0 0 0 16 49 1 0 0 0 0 17 18 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 23 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 24 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 26 27 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 29 68 1 0 0 0 0 29 69 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 2 0 0 0 0 32 36 1 0 0 0 0 33 34 1 0 0 0 0 33 70 1 0 0 0 0 34 35 2 0 0 0 0 34 71 1 0 0 0 0 35 36 1 0 0 0 0 35 72 1 0 0 0 0 36 37 1 0 0 0 0 37 73 1 0 0 0 0 37 74 1 0 0 0 0 37 75 1 0 0 0 0 M END > (494008) 494008 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 73 77 0 0 0 999 V2000 -0.0889 1.6824 0.4036 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0235 0.2968 0.4037 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2098 -0.3332 0.4443 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0744 2.4232 0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3082 1.7914 0.4887 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3766 0.4138 0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6934 -0.3166 0.5231 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7647 0.5788 0.9711 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7731 1.8079 0.1619 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5499 2.6446 0.5379 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4092 3.7891 -0.4323 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4596 5.0926 0.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3366 6.1436 -0.8619 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 5.8904 -2.2147 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1123 4.5816 -2.6722 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2358 3.5341 -1.7801 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0408 6.9226 -3.0903 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 6.5872 -4.4681 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0694 -0.0943 0.9196 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1648 -0.4399 0.3647 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3995 0.2784 0.3242 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5647 -0.7123 0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8867 0.0567 0.2406 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0055 -0.8946 0.2021 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2885 -0.2065 0.3982 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4355 -1.1972 0.1718 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2191 -2.3678 1.0355 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9061 -3.0293 0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8194 -1.9665 1.1891 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1982 -2.8225 1.8425 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2392 -2.2037 1.9428 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0053 -4.0767 2.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4968 -4.2070 3.9094 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2949 -5.3945 4.5859 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6493 -6.3946 4.0197 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.1699 -6.3135 2.7945 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3318 -5.1650 2.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0469 2.1797 0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2623 -1.4120 0.4445 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0238 3.5020 0.4467 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6177 -1.1591 1.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9282 -0.6873 -0.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6814 2.3747 0.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7291 1.5500 -0.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6777 3.0398 1.5456 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5948 5.2892 1.0795 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3756 7.1616 -0.5032 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9765 4.3819 -3.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1968 2.5151 -2.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7209 6.0091 -4.8141 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9559 5.9958 -4.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7806 7.5009 -5.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2469 -0.4660 -0.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8538 0.6127 1.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0755 -0.9290 1.6206 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4851 0.9042 1.2125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4256 0.9062 -0.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4791 -1.3381 -0.6044 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5387 -1.3402 1.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9723 0.6824 1.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9128 0.6845 -0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3403 0.1837 1.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3726 0.6158 -0.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3837 -0.7241 0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4484 -1.5099 -0.8723 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8432 -3.7675 1.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7720 -3.5182 0.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8380 -2.4206 1.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8916 -1.5518 2.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0261 -3.3915 4.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6708 -5.5048 5.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6472 -7.1579 2.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9367 -5.1056 1.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 1 38 1 0 0 0 0 2 20 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 39 1 0 0 0 0 4 5 2 0 0 0 0 4 40 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 19 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 43 1 0 0 0 0 9 44 1 0 0 0 0 10 11 1 0 0 0 0 10 45 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 46 1 0 0 0 0 13 14 2 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 48 1 0 0 0 0 16 49 1 0 0 0 0 17 18 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 23 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 24 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 26 27 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 29 68 1 0 0 0 0 29 69 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 2 0 0 0 0 32 37 1 0 0 0 0 33 34 1 0 0 0 0 33 70 1 0 0 0 0 34 35 2 0 0 0 0 34 71 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 36 72 1 0 0 0 0 37 73 1 0 0 0 0 M END > (494010) 494010 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 58 60 0 0 0 999 V2000 0.3912 1.2947 -1.6294 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3631 -0.0897 -1.4542 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4143 -0.7275 -0.7929 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4753 0.0113 -0.3157 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4995 1.3891 -0.4916 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4560 2.0271 -1.1493 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5465 2.1141 -0.0191 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4801 3.4688 -0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9003 4.2088 0.9051 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8324 5.5844 0.8082 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3449 6.2277 -0.3115 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9252 5.4858 -1.3328 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9973 4.1107 -1.2315 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6104 -0.6762 0.3983 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4400 -0.5239 1.8494 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5309 -1.1833 2.5797 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7413 -0.8538 -1.9511 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6468 -1.4803 -2.3584 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7821 -2.2658 -2.8692 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5645 -3.7456 -2.5469 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6975 -4.5294 -3.0566 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4185 -5.9691 -2.9794 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6693 -6.7547 -3.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0729 -6.3697 -4.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3107 -4.8585 -4.8704 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0413 -4.1279 -4.4266 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2583 7.9831 -0.4366 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0414 8.3172 -2.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4180 1.7910 -2.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3958 -1.7986 -0.6551 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4784 3.0983 -1.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5017 3.7085 1.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3807 6.1602 1.6025 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3236 5.9849 -2.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4484 3.5338 -2.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6124 -1.7356 0.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5560 -0.2271 0.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3704 0.4496 2.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4828 -0.7377 2.2909 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3800 -1.0552 3.6516 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5392 -2.2462 2.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7028 -1.9227 -2.3973 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8571 -2.1363 -3.9489 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6438 -4.0886 -3.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4896 -3.8751 -1.4672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6013 -6.2175 -3.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1368 -6.2303 -1.9594 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4571 -7.8230 -3.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4831 -6.5173 -2.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2750 -6.6427 -5.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9882 -6.8945 -5.0797 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5568 -4.5721 -5.8929 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1346 -4.5912 -4.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2120 -3.0518 -4.4577 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2212 -4.3849 -5.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0670 7.9482 -2.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4838 7.8129 -2.8276 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0440 9.3912 -2.2246 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 29 1 0 0 0 0 2 17 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 14 1 0 0 0 0 4 5 1 0 0 0 0 5 7 1 0 0 0 0 5 6 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 3 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 M END > (499911) 499911 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 56 58 0 0 0 999 V2000 0.3912 1.2947 -1.6294 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3631 -0.0897 -1.4542 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4143 -0.7275 -0.7929 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4753 0.0113 -0.3157 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4995 1.3891 -0.4916 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4560 2.0271 -1.1493 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5465 2.1141 -0.0191 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4801 3.4688 -0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9003 4.2088 0.9051 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8324 5.5844 0.8082 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3449 6.2277 -0.3115 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9252 5.4858 -1.3328 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9973 4.1107 -1.2315 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6104 -0.6762 0.3983 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4400 -0.5239 1.8494 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5309 -1.1833 2.5797 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7413 -0.8538 -1.9511 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6468 -1.4803 -2.3584 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7821 -2.2658 -2.8692 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5645 -3.7456 -2.5469 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6975 -4.5294 -3.0566 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4182 -5.9707 -2.9793 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6443 -6.7494 -3.4632 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9743 -6.3322 -4.7908 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2530 -4.9339 -4.9024 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0330 -4.1369 -4.4331 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2583 7.9831 -0.4366 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0414 8.3172 -2.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4180 1.7910 -2.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3958 -1.7986 -0.6551 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4784 3.0983 -1.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5017 3.7085 1.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3807 6.1602 1.6025 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3236 5.9849 -2.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4484 3.5338 -2.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6124 -1.7356 0.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5560 -0.2271 0.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3704 0.4496 2.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4828 -0.7377 2.2909 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3800 -1.0552 3.6516 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5392 -2.2462 2.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7028 -1.9227 -2.3973 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8571 -2.1363 -3.9489 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6438 -4.0886 -3.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4896 -3.8751 -1.4672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5626 -6.2100 -3.6108 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1975 -6.2439 -1.9475 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4218 -7.8164 -3.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4862 -6.5516 -2.7997 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4706 -4.6880 -5.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1125 -4.6834 -4.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2610 -3.0714 -4.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1872 -4.3468 -5.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0440 9.3912 -2.2246 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0670 7.9482 -2.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4838 7.8129 -2.8276 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 29 1 0 0 0 0 2 17 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 14 1 0 0 0 0 4 5 1 0 0 0 0 5 7 1 0 0 0 0 5 6 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 3 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 M END > (499913) 499913 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 52 54 0 0 0 999 V2000 0.3915 1.2940 -1.6302 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3637 -0.0903 -1.4549 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4148 -0.7279 -0.7933 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4756 0.0112 -0.3159 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4995 1.3889 -0.4919 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4561 2.0266 -1.1498 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5466 2.1141 -0.0195 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4801 3.4681 -0.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9009 4.2095 0.9031 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8344 5.5868 0.8026 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3451 6.2254 -0.3149 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9231 5.4867 -1.3321 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9968 4.1110 -1.2323 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6107 -0.6760 0.3984 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4399 -0.5237 1.8494 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5308 -1.1828 2.5799 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7405 -0.8547 -1.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 -1.4814 -2.3595 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7808 -2.2671 -2.8705 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5630 -3.7468 -2.5481 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6957 -4.5310 -3.0580 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4160 -5.9722 -2.9807 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6419 -6.7511 -3.4648 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9717 -6.3341 -4.7924 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2506 -4.9359 -4.9041 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0309 -4.1386 -4.4346 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2597 7.9548 -0.4400 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1098 6.5159 2.0775 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4177 1.7902 -2.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3965 -1.7989 -0.6555 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4783 3.0979 -1.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5020 3.7112 1.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3209 5.9865 -2.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4481 3.5352 -2.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6130 -1.7355 0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5562 -0.2267 0.0946 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3700 0.4498 2.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4827 -0.7370 2.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3797 -1.0547 3.6518 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5394 -2.2457 2.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7017 -1.9243 -2.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8555 -2.1377 -3.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6421 -4.0897 -3.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4882 -3.8763 -1.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5603 -6.2113 -3.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1955 -6.2453 -1.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4192 -7.8181 -3.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4840 -6.5535 -2.8015 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4681 -4.6900 -5.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1104 -4.6855 -4.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2592 -3.0731 -4.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1849 -4.3484 -5.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 29 1 0 0 0 0 2 17 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 14 1 0 0 0 0 4 5 1 0 0 0 0 5 7 1 0 0 0 0 5 6 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 3 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 M END > (499916) 499916 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 59 61 0 0 0 999 V2000 0.3107 1.0600 1.6401 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4734 1.8084 1.4505 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5531 1.2519 0.7622 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4673 -0.0336 0.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3084 -0.7754 0.4633 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2323 -0.2253 1.1474 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2275 -2.0420 -0.0206 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0394 -2.6937 0.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9136 -2.5754 -0.9093 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1207 -3.2365 -0.7958 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3804 -4.0205 0.3212 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 -4.1387 1.3232 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2168 -3.4812 1.2053 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6320 -0.6350 -0.4708 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3848 -0.5535 -1.9166 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5020 -1.1317 -2.6751 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5585 3.1439 1.9603 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6283 4.2387 2.3782 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7158 5.6115 2.9022 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4073 5.9723 3.6081 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4946 7.3423 4.1311 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8162 7.8100 4.6048 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6682 9.2150 5.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1076 10.0844 4.2069 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1695 9.6593 3.7238 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0401 8.2587 3.1192 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9204 -4.8640 0.4675 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7659 -5.7226 2.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1562 -3.1070 -1.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5249 1.4855 2.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4543 1.8281 0.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 -0.8051 1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7116 -1.9658 -1.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6259 -4.7480 2.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5260 -3.5733 1.9839 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5416 -0.0864 -0.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7483 -1.6792 -0.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5131 -0.9996 -2.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4176 -0.5865 -2.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6243 -2.1793 -2.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2931 -1.0583 -3.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5413 5.6779 3.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8874 6.3045 2.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4182 5.9059 2.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2357 5.2793 4.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5163 7.8376 3.7698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1896 7.1310 5.3714 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6470 9.5887 5.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0099 9.1780 6.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5197 10.3542 2.9605 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8812 9.6351 4.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0217 7.9073 2.8014 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3697 8.2935 2.2605 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6770 -6.2872 2.2561 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9164 -6.4046 2.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6114 -4.9918 2.8518 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0044 -3.8912 -2.6246 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1518 -3.2042 -1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0614 -2.1318 -2.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 1 30 1 0 0 0 0 2 17 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 14 1 0 0 0 0 4 5 1 0 0 0 0 5 7 1 0 0 0 0 5 6 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 3 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 M END > (499923) 499923 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 52 54 0 0 0 999 V2000 0.3751 1.2960 -1.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3478 -0.0882 -1.4228 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4048 -0.7264 -0.7712 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4708 0.0120 -0.3045 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4944 1.3896 -0.4818 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4448 2.0279 -1.1294 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5466 2.1141 -0.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4801 3.4681 -0.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 4.2099 0.9062 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8446 5.5865 0.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3546 6.2256 -0.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9271 5.4877 -1.3283 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9913 4.1110 -1.2345 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6120 -0.6758 0.3994 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4553 -0.5222 1.8519 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5524 -1.1818 2.5724 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7618 -0.8519 -1.9088 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6715 -1.4780 -2.3071 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8122 -2.2631 -2.8067 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5924 -3.7428 -2.4857 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7307 -4.5263 -2.9842 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4516 -5.9677 -2.9089 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6828 -6.7458 -3.3807 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0251 -6.3291 -4.7053 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3040 -4.9307 -4.8149 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0791 -4.1342 -4.3576 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2756 7.9557 -0.4273 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4387 1.7926 -2.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3870 -1.7974 -0.6328 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 3.0991 -1.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5073 3.7114 1.7773 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3979 6.1642 1.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3243 5.9884 -2.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4429 3.5358 -2.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6108 -1.7354 0.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5550 -0.2276 0.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3887 0.4516 2.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5577 -2.2449 2.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5019 -0.7372 2.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4117 -1.0528 3.6456 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7281 -1.9192 -2.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8973 -2.1341 -3.8856 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6765 -4.0867 -2.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5073 -3.8718 -1.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6022 -6.2078 -3.5484 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2212 -6.2405 -1.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4609 -7.8130 -3.3808 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5181 -6.5472 -2.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5313 -4.6851 -5.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1574 -4.6792 -4.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3067 -3.0686 -4.3853 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2397 -4.3450 -5.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 28 1 0 0 0 0 2 17 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 14 1 0 0 0 0 4 5 1 0 0 0 0 5 7 1 0 0 0 0 5 6 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 8 13 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 3 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 M END > (499924) 499924 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 52 54 0 0 0 999 V2000 0.3782 1.2952 -1.6044 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3510 -0.0890 -1.4283 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4070 -0.7270 -0.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4720 0.0117 -0.3064 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4953 1.3893 -0.4831 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4470 2.0274 -1.1329 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5466 2.1142 -0.0195 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4802 3.4679 -0.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9059 4.2103 0.9058 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8448 5.5868 0.8075 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3547 6.2249 -0.3082 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9274 5.4874 -1.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9915 4.1107 -1.2346 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 -0.6759 0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4535 -0.5229 1.8513 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5498 -1.1823 2.5733 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7576 -0.8530 -1.9162 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6665 -1.4793 -2.3162 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8060 -2.2646 -2.8177 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5865 -3.7443 -2.4965 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7237 -4.5280 -2.9969 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4443 -5.9694 -2.9212 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6745 -6.7478 -3.3952 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0147 -6.3311 -4.7203 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2937 -4.9327 -4.8303 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0698 -4.1359 -4.3709 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4348 1.7916 -2.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3892 -1.7979 -0.6366 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4688 3.0986 -1.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5069 3.7124 1.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 6.1652 1.6027 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3053 7.3011 -0.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3250 5.9882 -2.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4393 3.5352 -2.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6120 -1.7354 0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5557 -0.2272 0.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3861 0.4508 2.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5558 -2.2453 2.3324 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4996 -0.7372 2.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4074 -1.0537 3.6462 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7229 -1.9210 -2.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8894 -2.1356 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0 0 16 40 1 0 0 0 0 17 18 3 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 M END > (499925) 499925 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 55 57 0 0 0 999 V2000 0.3106 1.0601 1.6398 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4733 1.8085 1.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 1.2519 0.7621 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4672 -0.0336 0.2726 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3083 -0.7753 0.4633 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2322 -0.2252 1.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2274 -2.0421 -0.0206 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0401 -2.6933 0.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9143 -2.5761 -0.9086 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1203 -3.2396 -0.7921 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3768 -4.0199 0.3202 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 -4.1380 1.3187 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2178 -3.4813 1.2045 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6319 -0.6351 -0.4708 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3847 -0.5537 -1.9166 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5020 -1.1320 -2.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5584 3.1440 1.9599 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6282 4.2389 2.3777 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7157 5.6117 2.9016 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4071 5.9726 3.6074 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4944 7.3427 4.1303 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8164 7.8104 4.6039 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6684 9.2155 5.1935 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1078 10.0848 4.2058 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1694 9.6596 3.7228 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0400 8.2590 3.1183 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6934 -4.7425 0.4446 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5846 -6.0126 -0.1319 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.0287 -4.8714 1.7967 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.6892 -4.0145 -0.2154 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 1.4857 2.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 1.8282 0.6131 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 -0.8050 1.2938 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7146 -1.9664 -1.7774 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8636 -3.1484 -1.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6308 -4.7476 2.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5234 -3.5741 1.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5414 -0.0865 -0.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7482 -1.6792 -0.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5131 -0.9998 -2.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4176 -0.5868 -2.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6243 -2.1796 -2.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2931 -1.0588 -3.7423 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5411 5.6782 3.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8873 6.3047 2.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4183 5.9061 2.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2354 5.2797 4.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5165 7.8379 3.7689 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1899 7.1315 5.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6473 9.5892 5.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0102 9.1785 6.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5196 10.3545 2.9595 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8810 9.6355 4.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0216 7.9076 2.8006 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3696 8.2937 2.2596 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 1 31 1 0 0 0 0 2 17 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 5 7 1 0 0 0 0 5 6 2 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 3 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 M END > (499926) 499926 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 55 57 0 0 0 999 V2000 0.3109 1.0595 1.6402 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4736 1.8079 1.4507 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5533 1.2515 0.7624 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.0339 0.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3084 -0.7756 0.4629 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2326 -0.2257 1.1475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2274 -2.0421 -0.0215 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0399 -2.6934 0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9143 -2.5757 -0.9092 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1206 -3.2391 -0.7932 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3773 -4.0203 0.3194 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4268 -4.1390 1.3182 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2175 -3.4817 1.2036 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6323 -0.6354 -0.4704 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3856 -0.5538 -1.9163 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5030 -1.1321 -2.6745 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5587 3.1434 1.9606 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6285 4.2382 2.3786 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7160 5.6109 2.9028 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4074 5.9717 3.6087 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4947 7.3416 4.1318 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8161 7.8092 4.6056 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6680 9.2142 5.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1076 10.0837 4.2079 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1696 9.6586 3.7247 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0402 8.2581 3.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8942 -4.8523 0.4630 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.1577 -3.1112 -1.8791 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6727 -2.2760 -2.8911 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.4348 -4.3753 -2.4105 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.3284 -2.5636 -1.3436 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5247 1.4850 2.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4545 1.8278 0.6135 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6668 -0.8055 1.2938 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -1.9657 -1.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6292 -4.7491 2.1861 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5241 -3.5747 1.9832 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5419 -0.0869 -0.2255 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7484 -1.6796 -0.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5140 -0.9997 -2.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4186 -0.5870 -2.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6251 -2.1797 -2.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2944 -1.0586 -3.7418 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5415 5.6773 3.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8875 6.3041 2.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4181 5.9053 2.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2359 5.2785 4.4323 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5162 7.8369 3.7707 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1894 7.1302 5.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6469 9.5878 5.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0098 9.1771 6.0634 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5198 10.3537 2.9615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8813 9.6344 4.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0218 7.9068 2.8021 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3697 8.2930 2.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 1 32 1 0 0 0 0 2 17 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 3 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 M END > (499927) 499927 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 52 54 0 0 0 999 V2000 0.3759 1.2960 -1.5998 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3485 -0.0882 -1.4236 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4053 -0.7264 -0.7718 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4712 0.0120 -0.3048 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4947 1.3896 -0.4816 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4456 2.0279 -1.1298 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5466 2.1142 -0.0191 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4802 3.4679 -0.1153 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9060 4.2094 0.9065 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8450 5.5884 0.8084 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3563 6.2264 -0.3093 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9283 5.4875 -1.3283 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9920 4.1110 -1.2338 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 -0.6760 0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4556 -0.5229 1.8516 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5528 -1.1826 2.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7610 -0.8519 -1.9099 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6706 -1.4779 -2.3085 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8111 -2.2629 -2.8083 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5915 -3.7427 -2.4874 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7297 -4.5261 -2.9862 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4506 -5.9675 -2.9109 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6817 -6.7456 -3.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0237 -6.3288 -4.7076 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3025 -4.9304 -4.8173 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0777 -4.1339 -4.3597 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2861 6.3122 1.8028 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4377 1.7927 -2.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3874 -1.7974 -0.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4675 3.0991 -1.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5068 3.7112 1.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3079 7.3027 -0.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3257 5.9873 -2.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4434 3.5355 -2.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6114 -1.7355 0.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5554 -0.2276 0.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3889 0.4509 2.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5582 -2.2456 2.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5023 -0.7377 2.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4120 -1.0539 3.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7272 -1.9190 -2.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8960 -2.1339 -3.8873 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6754 -4.0866 -2.9676 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5067 -3.8717 -1.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6011 -6.2076 -3.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2205 -6.2403 -1.8809 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4599 -7.8127 -3.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5173 -6.5469 -2.7118 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5296 -4.6848 -5.8547 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1561 -4.6790 -4.1878 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3053 -3.0683 -4.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2381 -4.3447 -5.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 28 1 0 0 0 0 2 17 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 14 1 0 0 0 0 4 5 1 0 0 0 0 5 7 1 0 0 0 0 5 6 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 8 13 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 3 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 M END > (499929) 499929 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 52 54 0 0 0 999 V2000 0.3764 1.2960 -1.6007 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 -0.0883 -1.4246 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4056 -0.7265 -0.7724 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4713 0.0120 -0.3051 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4948 1.3895 -0.4819 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4459 2.0279 -1.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5466 2.1142 -0.0191 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4802 3.4679 -0.1153 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9059 4.2097 0.9066 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8448 5.5875 0.8086 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3555 6.2257 -0.3079 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9278 5.4876 -1.3276 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9919 4.1111 -1.2337 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6124 -0.6760 0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4551 -0.5229 1.8515 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5521 -1.1826 2.5722 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7604 -0.8519 -1.9112 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6699 -1.4780 -2.3101 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8102 -2.2630 -2.8103 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5907 -3.7428 -2.4893 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7287 -4.5262 -2.9884 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4496 -5.9676 -2.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6805 -6.7457 -3.3855 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0222 -6.3289 -4.7103 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3009 -4.9305 -4.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0763 -4.1340 -4.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1265 6.5172 2.0866 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4371 1.7926 -2.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3877 -1.7974 -0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4678 3.0991 -1.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5067 3.7114 1.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3067 7.3020 -0.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3254 5.9880 -2.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4434 3.5359 -2.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6114 -1.7355 0.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5555 -0.2276 0.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3884 0.4508 2.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4110 -1.0539 3.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5576 -2.2456 2.3314 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5016 -0.7377 2.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7265 -1.9192 -2.3303 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8948 -2.1340 -3.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6745 -4.0866 -2.9692 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5061 -3.8718 -1.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5998 -6.2077 -3.5521 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2198 -6.2404 -1.8831 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4587 -7.8129 -3.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5163 -6.5471 -2.7146 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5277 -4.6849 -5.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1547 -4.6791 -4.1908 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3039 -3.0684 -4.3898 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2365 -4.3448 -5.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 28 1 0 0 0 0 2 17 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 14 1 0 0 0 0 4 5 1 0 0 0 0 5 7 1 0 0 0 0 5 6 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 8 13 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 3 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 M END > (499932) 499932 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 52 54 0 0 0 999 V2000 0.0100 1.3652 -0.4099 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0372 -0.0301 -0.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2539 -0.6990 -0.2433 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4232 0.0201 -0.1206 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3921 1.4087 -0.1413 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1838 2.0776 -0.2865 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5466 2.1141 -0.0191 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4801 3.4685 -0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2012 4.2323 1.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1346 5.6096 0.9098 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3455 6.2264 -0.3115 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6237 5.4653 -1.4344 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6967 4.0892 -1.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7371 -0.7010 0.0368 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1258 -0.7069 1.4534 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4051 -1.4030 1.6454 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1800 -0.7737 -0.5164 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1779 -1.3833 -0.6209 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4290 -2.1477 -0.7518 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1198 -3.6452 -0.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3684 -4.4080 -0.8286 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0937 -5.8396 -1.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4189 -6.6029 -1.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2197 -6.0602 -2.1442 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5070 -4.6678 -1.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1929 -3.8848 -1.9276 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9358 3.4586 2.5410 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 7.5723 -0.4081 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9289 1.8860 -0.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2787 -1.7786 -0.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1636 3.1573 -0.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9177 6.2045 1.7847 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7879 5.9482 -2.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9137 3.4963 -2.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6329 -1.7271 -0.3156 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5032 -0.1919 -0.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1662 0.2319 1.8212 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6692 -1.3927 2.7029 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3124 -2.4341 1.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1827 -0.8989 1.0717 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1018 -1.8861 0.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9030 -1.9086 -1.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4470 -3.9068 -1.5147 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6458 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0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 M END > (499934) 499934 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 56 58 0 0 0 999 V2000 0.8961 1.1782 -2.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 -0.1717 -1.8286 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6607 -0.8371 -1.0438 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7650 -0.1592 -0.5742 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9395 1.1844 -0.8806 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0032 1.8495 -1.6613 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0288 1.8495 -0.4153 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1035 3.1884 -0.6402 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5734 4.0773 0.2838 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6488 5.4371 0.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2557 5.9151 -1.0984 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7863 5.0242 -2.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7149 3.6650 -1.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7842 -0.8765 0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5535 -0.5606 1.6889 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5308 -1.2440 2.5468 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 -0.8724 -2.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3739 -1.4469 -2.7191 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5550 -2.1672 -3.2222 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5076 -3.6202 -2.7454 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7012 -4.3313 -3.2223 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7046 -4.4298 -4.6837 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6820 -5.5226 -5.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3553 -5.0556 -4.5905 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.0949 -4.6957 -2.8266 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9229 -3.7167 -2.6978 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3521 7.6501 -1.3902 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2104 7.7486 -2.9853 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1704 1.6950 -2.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5253 -1.8815 -0.8046 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1425 2.8941 -1.8977 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1013 3.7055 1.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2358 6.1288 0.7755 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2580 5.3948 -2.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1272 2.9722 -2.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6912 -1.9518 0.1208 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7856 -0.5543 -0.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5705 0.4362 1.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5373 -0.9244 2.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3372 -0.9928 3.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4430 -2.3218 2.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4595 -1.6902 -2.8447 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5589 -2.1423 -4.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6144 -4.1035 -3.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4813 -3.6444 -1.6559 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0102 -3.4745 -5.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7018 -4.6766 -5.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6592 -5.6135 -6.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4022 -6.4724 -4.6738 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9952 -4.2463 -2.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8614 -5.6184 -2.2952 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7780 -3.4614 -1.6481 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1439 -2.8109 -3.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1922 7.2831 -2.8989 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6270 7.2278 -3.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3277 8.7939 -3.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 29 1 0 0 0 0 2 17 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 14 1 0 0 0 0 4 5 1 0 0 0 0 5 7 1 0 0 0 0 5 6 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 3 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 M END > (499936) 499936 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 52 54 0 0 0 999 V2000 0.8965 1.1758 -2.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7178 -0.1742 -1.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6614 -0.8393 -1.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7652 -0.1611 -0.5738 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9394 1.1826 -0.8799 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0033 1.8475 -1.6609 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0284 1.8479 -0.4143 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1030 3.1861 -0.6393 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5735 4.0760 0.2837 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6504 5.4370 0.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2551 5.9111 -1.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7836 5.0242 -2.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7140 3.6641 -1.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7843 -0.8780 0.2738 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5529 -0.5624 1.6897 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5300 -1.2455 2.5479 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4307 -0.8753 -2.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3723 -1.4500 -2.7207 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5529 -2.1707 -3.2243 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5051 -3.6238 -2.7476 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6984 -4.3352 -3.2251 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7010 -4.4338 -4.6865 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6780 -5.5270 -5.1327 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3516 -5.0603 -4.5945 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.0921 -4.7002 -2.8305 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9205 -3.7209 -2.7012 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3498 7.6203 -1.3882 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.9882 6.5518 1.2070 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 1.6924 -2.7457 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5263 -1.8838 -0.8049 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1422 2.8921 -1.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1013 3.7060 1.1817 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2548 5.3959 -2.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1267 2.9725 -2.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6918 -1.9533 0.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7857 -0.5555 -0.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5694 0.4344 1.8454 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4427 -2.3234 2.4113 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5365 -0.9255 2.2786 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3358 -0.9945 3.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4577 -1.6941 -2.8472 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5563 -2.1457 -4.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6116 -4.1067 -3.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4793 -3.6481 -1.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0067 -3.4786 -5.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6980 -4.6804 -5.0346 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6545 -5.6179 -6.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3981 -6.4766 -4.6767 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9928 -4.2509 -2.4121 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8587 -5.6227 -2.2989 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7761 -3.4655 -1.6514 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1414 -2.8152 -3.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 29 1 0 0 0 0 2 17 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 14 1 0 0 0 0 4 5 1 0 0 0 0 5 7 1 0 0 0 0 5 6 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 3 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 M END > (499939) 499939 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 66 68 0 0 0 999 V2000 0.3106 1.0601 1.6397 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4733 1.8085 1.4501 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 1.2520 0.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4673 -0.0335 0.2726 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3083 -0.7753 0.4632 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2322 -0.2251 1.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2275 -2.0420 -0.0206 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0394 -2.6937 0.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9138 -2.5754 -0.9094 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1205 -3.2367 -0.7961 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3802 -4.0209 0.3209 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4251 -4.1387 1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2168 -3.4811 1.2052 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6320 -0.6350 -0.4708 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3849 -0.5536 -1.9166 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5021 -1.1319 -2.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5584 3.1440 1.9598 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6282 4.2390 2.3776 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7156 5.6118 2.9015 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4070 5.9727 3.6073 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4943 7.3427 4.1301 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8161 7.8102 4.6035 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6672 9.2069 5.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1182 10.1221 4.2013 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1921 9.6546 3.7278 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0433 8.2579 3.1199 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9200 -4.8648 0.4670 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7656 -5.7232 2.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 11.4921 4.7241 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6578 12.3885 3.6931 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4389 12.0227 5.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 1.4857 2.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4543 1.8282 0.6131 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6672 -0.8049 1.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7119 -1.9655 -1.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8625 -3.1442 -1.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6262 -4.7477 2.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5258 -3.5726 1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5415 -0.0864 -0.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7483 -1.6791 -0.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5132 -0.9997 -2.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6245 -2.1795 -2.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2933 -1.0587 -3.7423 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4177 -0.5867 -2.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5410 5.6783 3.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8873 6.3048 2.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4184 5.9061 2.8985 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2353 5.2797 4.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5122 7.8506 3.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1959 7.1231 5.3596 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6429 9.5676 5.5371 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0078 9.1614 6.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5719 10.3417 2.9718 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8882 9.6142 4.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0189 7.8972 2.7943 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 8.3034 2.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9159 -6.4051 2.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6115 -4.9924 2.8514 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6765 -6.2881 2.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5462 11.4921 5.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0806 12.3886 2.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7225 13.4051 4.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6608 12.0105 3.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3741 13.0393 5.3896 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0160 12.0228 4.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9296 11.3841 5.7362 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 1 32 1 0 0 0 0 2 17 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 3 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 28 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 60 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 M END > (499940) 499940 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 58 60 0 0 0 999 V2000 0.3105 1.0602 1.6396 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4733 1.8086 1.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 1.2520 0.7619 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4673 -0.0335 0.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3083 -0.7753 0.4632 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2322 -0.2251 1.1471 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2275 -2.0420 -0.0206 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0394 -2.6937 0.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9138 -2.5754 -0.9094 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1205 -3.2367 -0.7961 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3802 -4.0209 0.3209 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4251 -4.1387 1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2168 -3.4811 1.2052 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6320 -0.6350 -0.4708 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3849 -0.5537 -1.9166 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5022 -1.1320 -2.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5583 3.1441 1.9596 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6281 4.2390 2.3774 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7155 5.6119 2.9013 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4069 5.9728 3.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4942 7.3428 4.1298 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8152 7.8100 4.6028 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7182 9.2838 5.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3299 9.4393 6.1088 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6728 8.9011 5.6074 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5065 7.4383 5.1893 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9200 -4.8648 0.4670 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7656 -5.7232 2.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4627 10.7920 6.4402 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5251 1.4858 2.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 1.8282 0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6671 -0.8050 1.2937 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7119 -1.9655 -1.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8625 -3.1442 -1.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6262 -4.7477 2.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5258 -3.5726 1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5415 -0.0864 -0.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7483 -1.6791 -0.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5133 -0.9998 -2.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2933 -1.0588 -3.7423 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4177 -0.5868 -2.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6245 -2.1795 -2.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5409 5.6784 3.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8872 6.3048 2.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4185 5.9062 2.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2352 5.2798 4.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5504 7.6979 3.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1219 7.2186 5.4655 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 9.8777 4.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6863 9.6260 5.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0176 8.8768 6.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0037 9.4889 4.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4129 8.9698 6.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 6.8487 6.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4576 7.0563 4.8183 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6115 -4.9924 2.8514 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6765 -6.2881 2.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9159 -6.4051 2.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 1 30 1 0 0 0 0 2 17 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 14 1 0 0 0 0 4 5 1 0 0 0 0 5 7 1 0 0 0 0 5 6 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 3 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 M END > (499942) 499942 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 54 56 0 0 0 999 V2000 0.3102 1.0596 1.6401 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4728 1.8082 1.4506 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5526 1.2519 0.7624 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4670 -0.0336 0.2728 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3082 -0.7755 0.4633 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2321 -0.2256 1.1474 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2274 -2.0421 -0.0211 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0399 -2.6934 0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9137 -2.5756 -0.9095 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1212 -3.2391 -0.7935 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3783 -4.0201 0.3207 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4276 -4.1382 1.3191 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2178 -3.4817 1.2036 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6318 -0.6348 -0.4707 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3846 -0.5532 -1.9165 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5020 -1.1312 -2.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5577 3.1437 1.9605 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6273 4.2385 2.3784 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7145 5.6113 2.9025 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4059 5.9719 3.6084 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4930 7.3418 4.1314 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8165 7.8087 4.6046 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7197 9.2825 5.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3284 9.4380 6.1108 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6714 8.9000 5.6092 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5053 7.4373 5.1909 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8953 -4.8516 0.4653 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.3155 -3.0926 -2.0448 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4611 10.7906 6.4424 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5255 1.4850 2.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4537 1.8283 0.6135 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6671 -0.8057 1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7133 -1.9659 -1.7781 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6300 -4.7477 2.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5236 -3.5744 1.9834 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5413 -0.0860 -0.2261 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7483 -1.6789 -0.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5130 -0.9994 -2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2930 -1.0579 -3.7423 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4175 -0.5859 -2.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6245 -2.1788 -2.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5400 5.6778 3.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8861 6.3044 2.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4195 5.9053 2.8996 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2344 5.2788 4.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5517 7.6966 3.8077 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1230 7.2171 5.4672 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4266 9.8766 4.1398 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6878 9.6245 5.3712 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0163 8.8752 6.9905 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0021 9.4881 4.7531 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4116 8.9687 6.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1879 6.8474 6.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4564 7.0555 4.8198 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 1 30 1 0 0 0 0 2 17 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 14 1 0 0 0 0 4 5 1 0 0 0 0 5 7 1 0 0 0 0 5 6 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 3 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 M END > (499944) 499944 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 64 67 0 0 0 999 V2000 0.3106 1.0601 1.6397 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4733 1.8085 1.4501 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 1.2520 0.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4673 -0.0335 0.2726 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3083 -0.7753 0.4632 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2322 -0.2251 1.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2275 -2.0420 -0.0206 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0394 -2.6937 0.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9138 -2.5754 -0.9094 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1205 -3.2367 -0.7961 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3802 -4.0209 0.3209 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4251 -4.1387 1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2168 -3.4811 1.2052 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6320 -0.6350 -0.4708 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3849 -0.5536 -1.9166 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5021 -1.1319 -2.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5584 3.1440 1.9598 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6282 4.2390 2.3776 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7156 5.6118 2.9015 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4070 5.9727 3.6073 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4943 7.3427 4.1301 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8161 7.8102 4.6035 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6672 9.2069 5.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1182 10.1221 4.2013 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1921 9.6546 3.7278 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0433 8.2579 3.1199 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 11.4921 4.7241 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6305 12.5469 3.8347 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8851 12.5637 4.0436 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9200 -4.8648 0.4670 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7656 -5.7232 2.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 1.4857 2.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4543 1.8282 0.6131 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6672 -0.8049 1.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7119 -1.9655 -1.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8625 -3.1442 -1.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6262 -4.7477 2.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5258 -3.5726 1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5415 -0.0864 -0.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7483 -1.6791 -0.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5132 -0.9997 -2.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4177 -0.5867 -2.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6245 -2.1795 -2.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2933 -1.0587 -3.7423 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5410 5.6783 3.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8873 6.3048 2.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4184 5.9061 2.8985 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2353 5.2797 4.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5122 7.8506 3.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1959 7.1231 5.3596 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6429 9.5676 5.5371 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0078 9.1614 6.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5719 10.3417 2.9718 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8882 9.6142 4.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0189 7.8972 2.7943 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 8.3034 2.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1186 11.5759 5.8005 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2149 13.3247 4.3261 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0009 12.2242 2.8617 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5118 12.2521 3.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2977 13.3527 4.6723 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9159 -6.4051 2.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6115 -4.9924 2.8514 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6765 -6.2881 2.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 1 32 1 0 0 0 0 2 17 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 3 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 57 1 0 0 0 0 28 29 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 30 31 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 M END > (499956) 499956 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 52 54 0 0 0 999 V2000 0.3746 1.2962 -1.5972 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3472 -0.0881 -1.4209 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4045 -0.7264 -0.7699 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4709 0.0120 -0.3038 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4943 1.3896 -0.4807 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4446 2.0280 -1.1282 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5465 2.1141 -0.0191 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4801 3.4688 -0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9054 4.2092 0.9076 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8422 5.5853 0.8132 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3547 6.2285 -0.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9304 5.4862 -1.3302 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9922 4.1102 -1.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6126 -0.6761 0.3991 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4569 -0.5229 1.8518 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5546 -1.1827 2.5713 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7627 -0.8517 -1.9063 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6727 -1.4777 -2.3042 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8136 -2.2626 -2.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5939 -3.7424 -2.4822 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7325 -4.5257 -2.9801 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2742 7.9844 -0.4286 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0553 8.3183 -2.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5558 -5.9547 -2.6891 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8163 -6.8159 -2.5866 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8953 -6.9493 -3.8011 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4394 1.7928 -2.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3867 -1.7973 -0.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4665 3.0992 -1.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5071 3.7090 1.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3942 6.1613 1.6093 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3284 5.9853 -2.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4397 3.5331 -2.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6112 -1.7356 0.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5554 -0.2278 0.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3906 0.4508 2.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5039 -0.7379 2.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4147 -1.0539 3.6446 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5598 -2.2457 2.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7293 -1.9187 -2.3221 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8994 -2.1336 -3.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6782 -4.0864 -2.9631 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5082 -3.8714 -1.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6015 -4.1836 -2.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0795 7.9457 -2.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4943 7.8174 -2.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0613 9.3926 -2.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7232 -6.2009 -2.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8127 -7.6289 -1.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7766 -6.3222 -2.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2498 -6.5433 -4.7485 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2859 -7.8501 -3.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 27 1 0 0 0 0 2 17 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 28 1 0 0 0 0 4 14 1 0 0 0 0 4 5 1 0 0 0 0 5 7 1 0 0 0 0 5 6 2 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 8 13 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 22 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 3 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 24 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 M END > (499959) 499959 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 48 50 0 0 0 999 V2000 0.3744 1.2961 -1.5977 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3471 -0.0882 -1.4214 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4044 -0.7264 -0.7703 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4706 0.0121 -0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4941 1.3896 -0.4813 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4444 2.0280 -1.1285 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5466 2.1141 -0.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4801 3.4681 -0.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9063 4.2096 0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8449 5.5874 0.8086 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3559 6.2264 -0.3085 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9280 5.4875 -1.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9915 4.1110 -1.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6121 -0.6758 0.3994 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4559 -0.5222 1.8520 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5534 -1.1818 2.5721 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7627 -0.8519 -1.9069 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6726 -1.4779 -2.3049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8135 -2.2629 -2.8039 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5937 -3.7427 -2.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7322 -4.5261 -2.9810 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5554 -5.9551 -2.6901 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8158 -6.8164 -2.5877 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8947 -6.9497 -3.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1265 6.5166 2.0870 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2780 7.9564 -0.4292 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4396 1.7927 -2.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3866 -1.7973 -0.6318 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4662 3.0991 -1.2645 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5075 3.7110 1.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3260 5.9877 -2.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4383 3.5351 -2.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6107 -1.7354 0.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5550 -0.2276 0.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3895 0.4516 2.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4131 -1.0527 3.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5585 -2.2449 2.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5028 -0.7372 2.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7292 -1.9190 -2.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8991 -2.1340 -3.8829 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6779 -4.0866 -2.9639 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5080 -3.8717 -1.4041 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6012 -4.1841 -2.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7228 -6.2012 -2.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8122 -7.6293 -1.8616 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7762 -6.3227 -2.7362 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2491 -6.5437 -4.7495 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2852 -7.8504 -3.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 27 1 0 0 0 0 2 17 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 28 1 0 0 0 0 4 14 1 0 0 0 0 4 5 1 0 0 0 0 5 7 1 0 0 0 0 5 6 2 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 8 13 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 2 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 12 13 2 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 3 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 M END > (499961) 499961 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 55 57 0 0 0 999 V2000 0.3744 1.2962 -1.5969 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3471 -0.0881 -1.4206 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4044 -0.7264 -0.7697 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4708 0.0120 -0.3037 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4942 1.3896 -0.4806 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4445 2.0280 -1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5465 2.1141 -0.0191 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4801 3.4688 -0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9054 4.2092 0.9076 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8422 5.5853 0.8132 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3547 6.2285 -0.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9304 5.4862 -1.3302 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9922 4.1102 -1.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6127 -0.6761 0.3991 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4571 -0.5229 1.8518 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5549 -1.1827 2.5712 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7629 -0.8517 -1.9059 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6729 -1.4777 -2.3037 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8139 -2.2626 -2.8025 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5942 -3.7424 -2.4816 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7328 -4.5257 -2.9794 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2742 7.9844 -0.4286 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0553 8.3183 -2.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4540 -5.9660 -2.9043 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5456 -6.9231 -3.3874 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2800 -6.7216 -4.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9626 -4.1888 -2.2499 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4396 1.7929 -2.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3866 -1.7973 -0.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4664 3.0992 -1.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5071 3.7090 1.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3942 6.1613 1.6093 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3288 5.9853 -2.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4433 3.5334 -2.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6112 -1.7356 0.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5554 -0.2278 0.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3908 0.4508 2.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4150 -1.0539 3.6445 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5600 -2.2457 2.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5041 -0.7379 2.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7296 -1.9186 -2.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8998 -2.1336 -3.8814 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6785 -4.0863 -2.9627 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5083 -3.8714 -1.4027 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0795 7.9457 -2.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4943 7.8174 -2.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0613 9.3926 -2.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8448 -6.2834 -2.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6543 -7.8703 -2.8591 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4707 -6.4839 -3.7609 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3725 -6.1500 -5.1468 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5562 -7.5363 -4.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1836 -3.1294 -2.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7898 -4.7829 -2.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8269 -4.4042 -1.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 28 1 0 0 0 0 2 17 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 14 1 0 0 0 0 4 5 1 0 0 0 0 5 7 1 0 0 0 0 5 6 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 8 13 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 32 1 0 0 0 0 11 22 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 3 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 24 1 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 M END > (499962) 499962 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 51 53 0 0 0 999 V2000 0.3742 1.2961 -1.5974 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3470 -0.0882 -1.4212 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4043 -0.7264 -0.7701 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4705 0.0121 -0.3039 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4941 1.3896 -0.4812 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4443 2.0280 -1.1283 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5466 2.1141 -0.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4801 3.4681 -0.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9063 4.2096 0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8449 5.5874 0.8086 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3559 6.2264 -0.3085 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9280 5.4875 -1.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9915 4.1110 -1.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6121 -0.6758 0.3994 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4561 -0.5222 1.8520 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5536 -1.1818 2.5721 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7629 -0.8518 -1.9065 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6728 -1.4779 -2.3044 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8137 -2.2629 -2.8033 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5939 -3.7427 -2.4825 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7325 -4.5261 -2.9804 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4535 -5.9664 -2.9052 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5450 -6.9235 -3.3885 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2794 -6.7220 -4.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1265 6.5166 2.0870 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2780 7.9564 -0.4292 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.9624 -4.1893 -2.2511 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4398 1.7927 -2.1045 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3865 -1.7973 -0.6316 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4661 3.0992 -1.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5075 3.7110 1.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3257 5.9877 -2.1996 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4426 3.5354 -2.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6107 -1.7354 0.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5550 -0.2277 0.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3897 0.4517 2.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4134 -1.0527 3.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5587 -2.2449 2.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5029 -0.7371 2.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7294 -1.9190 -2.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8994 -2.1339 -3.8823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6782 -4.0866 -2.9634 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5082 -3.8716 -1.4035 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8445 -6.2837 -2.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6538 -7.8707 -2.8602 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4701 -6.4844 -3.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3718 -6.1504 -5.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5555 -7.5366 -4.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1834 -3.1299 -2.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7894 -4.7834 -2.6396 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8268 -4.4046 -1.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 28 1 0 0 0 0 2 17 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 14 1 0 0 0 0 4 5 1 0 0 0 0 5 7 1 0 0 0 0 5 6 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 8 13 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 3 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 M END > (499963) 499963 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 56 58 0 0 0 999 V2000 0.3105 1.0602 1.6396 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4733 1.8086 1.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 1.2520 0.7619 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4673 -0.0335 0.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3083 -0.7753 0.4632 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2322 -0.2251 1.1471 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2275 -2.0420 -0.0206 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0394 -2.6937 0.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9138 -2.5754 -0.9094 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1205 -3.2367 -0.7961 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3802 -4.0209 0.3209 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4251 -4.1387 1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2168 -3.4811 1.2052 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6320 -0.6350 -0.4708 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3849 -0.5537 -1.9166 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5022 -1.1320 -2.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5583 3.1441 1.9596 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6281 4.2390 2.3774 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7155 5.6119 2.9013 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4069 5.9728 3.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4942 7.3428 4.1298 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9200 -4.8648 0.4670 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7656 -5.7232 2.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8182 7.8111 4.6039 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6196 9.0965 5.4093 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1941 10.0419 4.6502 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9581 9.6761 3.6156 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0228 8.2617 3.1128 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6268 10.5215 3.0597 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5251 1.4858 2.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 1.8282 0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6671 -0.8050 1.2937 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7119 -1.9655 -1.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8625 -3.1442 -1.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6262 -4.7477 2.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5258 -3.5726 1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5415 -0.0864 -0.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7483 -1.6791 -0.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5133 -0.9998 -2.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2933 -1.0588 -3.7423 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4177 -0.5868 -2.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6245 -2.1795 -2.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5409 5.6784 3.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8872 6.3048 2.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4185 5.9062 2.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2352 5.2798 4.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9159 -6.4051 2.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6115 -4.9924 2.8514 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6765 -6.2881 2.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4654 8.0111 3.7499 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2711 7.0488 5.2379 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5906 9.5440 5.6214 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1189 8.8611 6.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1795 10.9769 4.9078 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0587 8.0024 2.8944 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4298 8.1738 2.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 1 30 1 0 0 0 0 2 17 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 14 1 0 0 0 0 4 5 1 0 0 0 0 5 7 1 0 0 0 0 5 6 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 34 1 0 0 0 0 11 22 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 3 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 24 1 0 0 0 0 21 28 1 0 0 0 0 22 23 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 M END > (499964) 499964 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 65 67 0 0 0 999 V2000 0.3106 1.0601 1.6397 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4733 1.8085 1.4501 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 1.2520 0.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4673 -0.0335 0.2726 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3083 -0.7753 0.4632 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2322 -0.2251 1.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2275 -2.0420 -0.0206 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0394 -2.6937 0.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9138 -2.5754 -0.9094 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1205 -3.2367 -0.7961 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3802 -4.0209 0.3209 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4251 -4.1387 1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2168 -3.4811 1.2052 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6320 -0.6350 -0.4708 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3849 -0.5536 -1.9166 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5021 -1.1319 -2.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5584 3.1440 1.9598 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6282 4.2390 2.3776 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7156 5.6118 2.9015 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4070 5.9727 3.6073 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4943 7.3427 4.1301 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9200 -4.8648 0.4670 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7656 -5.7232 2.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8181 7.8110 4.6043 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6195 9.0964 5.4097 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1942 10.0417 4.6506 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9582 9.6760 3.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0229 8.2616 3.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6269 10.5214 3.0601 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1722 11.4539 5.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5850 11.8997 5.4219 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3292 12.2984 3.8665 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 1.4857 2.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4543 1.8282 0.6131 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6672 -0.8049 1.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7119 -1.9655 -1.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8625 -3.1442 -1.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6262 -4.7477 2.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5258 -3.5726 1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5415 -0.0864 -0.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7483 -1.6791 -0.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5132 -0.9997 -2.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4177 -0.5867 -2.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6245 -2.1795 -2.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2933 -1.0587 -3.7423 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5410 5.6783 3.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8873 6.3048 2.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4184 5.9061 2.8985 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2353 5.2797 4.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6115 -4.9924 2.8514 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6765 -6.2881 2.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9159 -6.4051 2.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4653 8.0110 3.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2710 7.0487 5.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5904 9.5439 5.6218 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1188 8.8609 6.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0588 8.0023 2.8947 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4299 8.1737 2.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4935 11.5855 5.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2507 11.7682 4.5689 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5686 12.9505 5.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9422 11.2981 6.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3357 11.9808 3.5942 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3456 13.3491 4.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3365 12.1669 3.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 1 33 1 0 0 0 0 2 17 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 37 1 0 0 0 0 11 22 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 3 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 24 1 0 0 0 0 21 28 1 0 0 0 0 22 23 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 27 1 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 59 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 M END > (499965) 499965 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 69 71 0 0 0 999 V2000 0.3106 1.0601 1.6397 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4733 1.8085 1.4501 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 1.2520 0.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4673 -0.0335 0.2726 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3083 -0.7753 0.4632 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2322 -0.2251 1.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2275 -2.0420 -0.0206 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0394 -2.6937 0.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9138 -2.5754 -0.9094 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1205 -3.2367 -0.7961 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3802 -4.0209 0.3209 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4251 -4.1387 1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2168 -3.4811 1.2052 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6320 -0.6350 -0.4708 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3849 -0.5536 -1.9166 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5021 -1.1319 -2.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5584 3.1440 1.9598 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6282 4.2390 2.3776 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7156 5.6118 2.9015 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4070 5.9727 3.6073 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4943 7.3427 4.1301 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9200 -4.8648 0.4670 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7656 -5.7232 2.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7541 7.7881 4.5812 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7371 9.2855 4.9492 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5746 7.4593 5.1336 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1326 9.4392 6.2535 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0551 8.8885 5.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3186 9.7300 6.2104 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8477 10.4454 7.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2594 10.4910 8.4614 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6984 11.8180 6.3905 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 1.4857 2.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4543 1.8282 0.6131 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6672 -0.8049 1.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7119 -1.9655 -1.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8625 -3.1442 -1.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6262 -4.7477 2.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5258 -3.5726 1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5415 -0.0864 -0.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7483 -1.6791 -0.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5132 -0.9997 -2.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6245 -2.1795 -2.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2933 -1.0587 -3.7423 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4177 -0.5867 -2.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5410 5.6783 3.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8873 6.3048 2.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4184 5.9061 2.8985 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2353 5.2797 4.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6765 -6.2881 2.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9159 -6.4051 2.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6115 -4.9924 2.8514 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4931 7.6246 3.7967 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0397 7.2106 5.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1557 9.8366 4.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7577 9.6674 4.9724 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 7.1862 6.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3991 6.8000 4.8623 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1225 8.8998 5.3765 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8936 9.3317 4.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4601 10.7861 5.9807 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7490 9.5234 7.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9039 10.1818 7.1047 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7968 10.7547 8.4065 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7900 11.2376 9.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3658 9.5132 8.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3578 12.0817 6.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1175 11.7855 5.3848 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2290 12.5646 6.9814 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 1 33 1 0 0 0 0 2 17 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 37 1 0 0 0 0 11 22 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 3 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 24 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 27 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 28 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 63 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 32 67 1 0 0 0 0 32 68 1 0 0 0 0 32 69 1 0 0 0 0 M END > (499967) 499967 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 67 71 0 1 0 999 V2000 -0.0167 1.3830 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2177 -0.6713 -0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 2.0884 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3871 1.4252 -0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4019 0.0396 -0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9030 1.3926 0.1158 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6456 2.2524 -0.0642 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7133 0.1750 -0.6523 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7122 -0.6806 0.0363 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7618 -1.9692 -0.7994 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2865 -2.1181 -1.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8645 -0.6909 -0.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0203 -0.8797 1.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7176 2.9541 -1.3959 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7050 4.3356 -1.4497 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7710 4.9812 -2.6692 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8499 4.2421 -3.8406 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8624 2.8560 -3.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8019 2.2153 -2.5616 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9145 4.8749 -5.0416 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9940 4.0503 -6.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6109 3.0004 0.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1627 -0.7042 0.0012 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3747 0.0529 0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5715 -0.9003 0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8691 -0.0898 0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0181 -1.0050 0.0123 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2703 -0.2781 0.2576 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4552 -1.2345 0.1045 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3077 -2.3860 1.1029 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9736 -3.0963 0.8573 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8316 -2.0860 0.9886 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9592 1.9103 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2386 -1.7511 -0.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1471 3.1682 0.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7758 1.9313 -0.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0362 1.1476 1.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3813 -2.8176 -0.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2121 -1.8497 -1.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7334 -2.8003 -0.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4601 -2.4740 -2.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3876 -0.3818 -1.7949 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5402 -0.6618 -0.0352 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6432 4.9105 -0.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7607 6.0604 -2.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9238 2.2785 -4.6945 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8116 1.1363 -2.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1131 3.4105 -6.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0398 4.6798 -7.0946 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8897 3.4315 -6.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4083 0.6763 0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4129 0.6860 -0.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5379 -1.5238 -0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5332 -1.5335 0.8929 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9027 0.5336 0.9078 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9073 0.5434 -0.8722 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2612 0.1301 1.2682 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3649 0.5354 -0.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3834 -0.6983 0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4729 -1.6325 -0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3290 -1.9921 2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1267 -3.0924 0.9678 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8433 -3.8903 1.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9680 -3.5236 -0.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8813 -2.5855 0.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8293 -1.6692 1.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 1 34 1 0 0 0 0 2 24 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 35 1 0 0 0 0 4 5 2 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 15 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 17 18 2 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 2 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 31 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 31 32 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 32 33 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 M END > (500080) 500080 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 57 59 0 0 0 999 V2000 0.1436 0.6483 1.3095 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0286 -0.6648 1.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1397 -1.4848 1.3493 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 1.2228 1.5588 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4517 0.4666 1.7192 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3732 -0.9093 1.6106 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9226 0.2119 1.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7551 1.1611 2.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6663 -1.0620 2.4266 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5804 -1.7923 1.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8855 -1.8787 2.4944 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8824 2.3787 1.1335 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0037 3.6320 1.7031 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1207 4.7500 0.8967 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1161 4.6124 -0.4809 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9946 3.3570 -1.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8835 2.2407 -0.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1849 -1.2153 0.9470 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2880 -0.3178 0.8071 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5623 -1.1160 0.5245 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7434 -0.1550 0.3746 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9669 -0.9214 0.1033 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3356 -1.7508 1.2584 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3443 -2.8148 0.8211 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8791 0.4253 -1.7273 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0713 -0.0318 -0.2799 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2622 6.0143 -1.4942 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2725 6.3246 1.6117 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0438 -2.5569 1.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3596 2.2983 1.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0066 0.0373 0.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8472 0.6508 2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7757 1.4659 3.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3162 -2.6657 2.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9145 -2.1187 0.7781 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2445 -2.0800 1.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6523 -1.3412 3.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6643 -2.8207 2.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0069 3.7387 2.7779 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9906 3.2490 -2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 1.2608 -0.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4125 0.2513 1.7283 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0970 0.3664 -0.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4378 -1.6851 -0.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7533 -1.8002 1.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8679 0.4141 1.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5524 0.5292 -0.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4445 -2.2366 1.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7815 -1.1224 2.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2845 -2.3345 0.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9514 -3.3559 -0.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5156 -3.5120 1.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9303 0.9539 -1.8185 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8757 -0.4437 -2.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6946 1.0913 -2.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0167 -0.5668 -0.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0822 0.8377 0.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 2 18 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 10 1 0 0 0 0 7 9 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 12 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 14 15 2 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 M END > (500087) 500087 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 35 36 0 0 0 999 V2000 0.3093 1.0665 1.6326 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4595 1.8113 1.4431 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5346 1.2669 0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4613 -0.0218 0.2718 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3085 -0.7710 0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2318 -0.2231 1.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5626 3.5762 2.1141 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.6326 -0.6144 -0.4684 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3884 -0.5359 -1.9148 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5121 -1.1056 -2.6702 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2341 -2.0390 -0.0219 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -2.6963 0.0901 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9046 -2.5816 -0.9112 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1083 -3.2486 -0.7985 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3645 -4.0347 0.3181 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4089 -4.1488 1.3201 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2036 -3.4856 1.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9004 -4.8859 0.4634 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7421 -5.7446 2.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5270 1.4919 2.1673 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4315 1.8502 0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6662 -0.8044 1.2916 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5371 -0.0583 -0.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7566 -1.6574 -0.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5210 -0.9891 -2.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3053 -1.0347 -3.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4227 -0.5529 -2.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6422 -2.1520 -2.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7054 -1.9702 -1.7789 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8506 -3.1590 -1.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6071 -4.7597 2.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5395 -3.5744 1.9815 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8893 -6.4225 2.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5915 -5.0136 2.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6505 -6.3138 2.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 3 4 2 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 5 11 1 0 0 0 0 5 6 2 0 0 0 0 6 22 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 15 2 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 M END > (500115) 500115 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 56 58 0 0 0 999 V2000 0.1041 1.8394 1.6309 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1261 2.4761 1.4628 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1910 3.6888 0.8068 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0403 4.2756 0.3147 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1885 3.6491 0.4769 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2653 2.4351 1.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1195 5.5996 -0.4008 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0820 5.3749 -1.8520 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1573 6.6465 -2.5837 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3166 4.2301 -0.0092 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4820 3.5353 0.0804 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8535 2.6703 -0.9388 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0392 1.9683 -0.8513 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8607 2.1286 0.2576 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4880 2.9954 1.2775 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3016 3.6961 1.1882 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3738 1.2329 0.3709 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0541 1.7804 1.9609 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1749 0.5814 2.3115 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 -0.4500 2.8694 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3057 -1.7431 3.5689 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0987 -2.1685 4.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0261 -3.4589 4.6999 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3103 -3.7868 5.3361 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2084 -5.1628 5.9995 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1267 -5.1565 6.9350 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1394 -4.8416 6.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0613 -3.4623 5.6893 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0272 2.0200 1.8454 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1438 4.1806 0.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2202 1.9468 1.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0498 6.1013 -0.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7258 6.2222 -0.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7408 4.8540 -2.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0879 7.1555 -2.3328 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6877 7.2763 -2.3056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1276 6.4512 -3.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2148 2.5458 -1.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3279 1.2945 -1.6444 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1257 3.1205 2.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0117 4.3699 1.9809 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0071 1.2823 2.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2066 2.8594 1.9386 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3572 1.5284 2.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7230 -2.4953 2.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9429 -1.6453 4.4479 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5160 -1.4162 4.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7359 -2.2662 3.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5451 -3.0356 6.0903 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0965 -3.8039 4.5814 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1393 -5.3852 6.5211 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0268 -5.9214 5.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9064 -4.8317 7.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3893 -5.5908 5.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0062 -3.2425 5.1923 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1356 -2.7059 6.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 7 1 0 0 0 0 4 5 1 0 0 0 0 5 10 1 0 0 0 0 5 6 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 3 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 M END > (500116) 500116 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 60 62 0 0 0 999 V2000 0.7657 1.2187 1.3843 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8202 2.0809 1.1479 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8519 1.7018 0.3087 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8312 0.4601 -0.2958 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7740 -0.4076 -0.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7403 -0.0247 0.7826 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9553 0.0480 -1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5410 0.2310 -2.6084 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6144 -0.1616 -3.5314 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7512 -1.6297 -0.6532 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6429 -2.3998 -0.4866 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4025 -2.3159 -1.3949 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5259 -3.1015 -1.2297 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6092 -3.9761 -0.1535 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5618 -4.0594 0.7555 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5607 -3.2729 0.5885 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0425 -4.9788 0.0587 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6660 -5.9150 1.5662 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8452 3.4366 1.8056 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1441 4.4542 0.9035 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1695 5.8305 1.5712 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4683 6.8481 0.6691 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4613 8.1620 1.3261 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8210 8.6900 1.4583 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7702 10.1986 1.7233 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8992 10.4796 3.2953 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6271 9.5194 3.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2462 8.1044 2.6073 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0368 1.5156 2.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6743 2.3774 0.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0834 -0.6982 0.9681 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8325 0.6626 -1.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1985 -1.0004 -1.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6921 -0.2782 -2.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8622 -1.2115 -3.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2812 -0.0162 -4.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4961 0.4515 -3.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3377 -1.6356 -2.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3397 -3.0358 -1.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6258 -4.7387 1.5926 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3751 -3.3377 1.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7619 -6.5039 1.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5122 -5.2233 2.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4978 -6.5802 1.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3293 3.3849 2.7644 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8787 3.7440 1.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6600 4.5059 -0.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1105 4.1468 0.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6535 5.7788 2.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2030 6.1379 1.7309 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9998 6.9192 -0.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5574 6.5270 0.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3234 8.1932 2.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3735 8.5025 0.5376 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7841 10.5929 1.7909 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2345 10.6947 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1796 9.4699 3.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2415 9.9933 2.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1494 7.5044 2.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3997 7.6482 3.3575 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 1 29 1 0 0 0 0 2 19 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 7 1 0 0 0 0 4 5 1 0 0 0 0 5 10 1 0 0 0 0 5 6 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 M END > (500117) 500117 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 70 72 0 0 0 999 V2000 0.3063 1.0718 1.6213 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4559 1.8159 1.4314 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5318 1.2704 0.7552 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4604 -0.0198 0.2675 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3077 -0.7691 0.4571 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2297 -0.2194 1.1359 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6328 -0.6133 -0.4702 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3899 -0.5382 -1.9170 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5147 -1.1089 -2.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2348 -2.0387 -0.0217 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0499 -2.6963 0.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9017 -2.5869 -0.9129 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1029 -3.2588 -0.8023 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3584 -4.0447 0.3145 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4049 -4.1536 1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2044 -3.4809 1.2065 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8911 -4.9021 0.4571 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7331 -5.7584 2.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5366 3.2241 1.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0343 4.2002 0.8962 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1162 5.6299 1.4348 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 6.6060 0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6927 7.9787 0.8862 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4461 8.9584 -0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4579 10.3691 0.4125 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7543 10.6146 1.0597 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0008 9.6349 2.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9890 8.2242 1.5334 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8329 11.9873 1.5769 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1410 12.1669 2.3499 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7906 12.9754 0.4095 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5310 1.4987 2.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4286 1.8539 0.6079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6683 -0.8006 1.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5367 -0.0560 -0.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7572 -1.6555 -0.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5230 -0.9926 -2.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3088 -1.0405 -3.7382 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4247 -0.5550 -2.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6452 -2.1545 -2.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 -1.9756 -1.7808 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8437 -3.1731 -1.5835 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6027 -4.7640 2.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5372 -3.5657 1.9871 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6395 -6.3312 2.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8773 -6.4327 2.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5874 -5.0259 2.8423 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9181 3.3118 2.8553 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5711 3.4596 2.2117 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6528 4.1125 0.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0002 3.9647 0.6464 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4978 5.7176 2.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1508 5.8654 1.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2324 6.5183 -0.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4205 6.3705 0.1193 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2262 8.8758 -0.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5249 8.7636 -0.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3041 11.0993 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3397 10.4601 1.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9718 9.8297 2.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2207 9.7175 2.8837 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1428 7.4940 2.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7866 8.1332 0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9895 12.1740 2.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9844 11.9802 1.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1993 13.1855 2.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1711 11.4631 3.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8587 12.8474 -0.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8490 13.9939 0.7932 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6341 12.7887 -0.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 1 32 1 0 0 0 0 2 19 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 10 1 0 0 0 0 5 6 2 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 42 1 0 0 0 0 14 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 23 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 26 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 27 1 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 64 1 0 0 0 0 30 65 1 0 0 0 0 30 66 1 0 0 0 0 30 67 1 0 0 0 0 31 68 1 0 0 0 0 31 69 1 0 0 0 0 31 70 1 0 0 0 0 M END > (500118) 500118 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 68 71 0 0 0 999 V2000 0.3063 1.0718 1.6213 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4559 1.8159 1.4314 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5318 1.2704 0.7552 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4604 -0.0198 0.2675 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3077 -0.7691 0.4571 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2297 -0.2194 1.1359 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6328 -0.6133 -0.4702 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3899 -0.5382 -1.9170 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5147 -1.1089 -2.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2348 -2.0387 -0.0217 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0499 -2.6963 0.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9017 -2.5869 -0.9129 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1029 -3.2588 -0.8023 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3584 -4.0447 0.3145 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4049 -4.1536 1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2044 -3.4809 1.2065 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8911 -4.9021 0.4571 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7331 -5.7584 2.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5366 3.2241 1.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0343 4.2002 0.8962 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1162 5.6299 1.4348 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 6.6060 0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6927 7.9787 0.8862 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4461 8.9584 -0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4579 10.3691 0.4125 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7543 10.6146 1.0597 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0008 9.6349 2.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9890 8.2242 1.5334 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8329 11.9873 1.5769 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0757 12.3681 2.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8874 12.9128 0.9667 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5310 1.4987 2.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4286 1.8539 0.6079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6683 -0.8006 1.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5367 -0.0560 -0.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7572 -1.6555 -0.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5230 -0.9926 -2.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3088 -1.0405 -3.7382 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4247 -0.5550 -2.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6452 -2.1545 -2.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 -1.9756 -1.7808 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8437 -3.1731 -1.5835 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6027 -4.7640 2.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5372 -3.5657 1.9871 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8773 -6.4327 2.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5874 -5.0259 2.8423 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6395 -6.3312 2.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9181 3.3118 2.8553 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5711 3.4596 2.2117 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6528 4.1125 0.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0002 3.9647 0.6464 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4978 5.7176 2.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1508 5.8654 1.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2324 6.5183 -0.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4205 6.3705 0.1193 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2262 8.8758 -0.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5249 8.7636 -0.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3041 11.0993 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3397 10.4601 1.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9718 9.8297 2.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2207 9.7175 2.8837 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1428 7.4940 2.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7866 8.1332 0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8836 12.4327 1.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9441 13.0642 3.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8350 11.6000 2.5312 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5228 12.5031 0.1815 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6319 13.9673 0.8626 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 1 32 1 0 0 0 0 2 19 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 10 1 0 0 0 0 5 6 2 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 42 1 0 0 0 0 14 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 23 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 26 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 27 1 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 64 1 0 0 0 0 30 31 1 0 0 0 0 30 65 1 0 0 0 0 30 66 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 M END > (500119) 500119 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 65 67 0 0 0 999 V2000 3.0822 1.7537 -0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7793 0.2556 -0.4369 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2119 -0.3979 -1.6787 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6605 -0.2582 -1.8755 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0195 1.2245 -1.9965 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5858 1.9553 -0.7228 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8121 -1.8113 -1.6968 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0532 -2.3918 -3.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6368 -3.8639 -3.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8620 -4.4061 -4.4133 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5422 -5.7135 -4.6012 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0169 -6.4577 -3.5548 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6873 -7.7849 -3.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8809 -8.3719 -4.9868 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4038 -7.6322 -6.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7350 -6.3046 -5.8414 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5209 -9.8201 -5.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7913 -10.5562 -4.0022 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0338 -9.9316 -5.5389 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3274 -11.7963 -4.1496 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4800 -12.3412 -5.4163 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0251 -13.6020 -5.5634 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4185 -14.3207 -4.4497 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2670 -13.7800 -3.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7281 -12.5171 -3.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3049 -11.3855 -5.8739 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7327 -11.4925 -6.2024 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0477 -12.8161 -6.7563 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5662 -11.2011 -5.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5373 2.1921 -1.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7752 2.2359 0.4131 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3136 -0.1794 0.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7076 0.1083 -0.3033 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1860 -0.6908 -1.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9551 -0.7788 -2.7867 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0967 1.3286 -2.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5051 1.6546 -2.8559 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8003 3.0193 -0.8223 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1289 1.5516 0.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4016 -2.3650 -0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -1.8929 -1.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4638 -1.8381 -3.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1111 -2.3103 -3.3413 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2262 -4.4176 -2.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5789 -3.9455 -2.8608 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8662 -5.9998 -2.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2784 -8.3647 -2.9357 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5537 -8.0929 -6.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1434 -5.7273 -6.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1137 -10.2268 -6.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5608 -9.6076 -4.6848 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1897 -9.2992 -6.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1726 -11.7804 -6.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1438 -14.0268 -6.5493 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8444 -15.3062 -4.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5744 -14.3437 -2.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6100 -12.0952 -2.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2897 -11.7095 -6.7281 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0813 -12.0179 -5.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7988 -13.5848 -6.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1109 -12.8683 -6.9907 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4670 -12.9775 -7.6645 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3626 -10.1884 -4.6806 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6184 -11.2875 -5.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3361 -11.9113 -4.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 7 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 9 10 1 0 0 0 0 9 44 1 0 0 0 0 9 45 1 0 0 0 0 10 11 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 46 1 0 0 0 0 13 14 2 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 48 1 0 0 0 0 16 49 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 50 1 0 0 0 0 18 20 1 0 0 0 0 19 26 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 21 2 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 53 1 0 0 0 0 22 23 2 0 0 0 0 22 54 1 0 0 0 0 23 24 1 0 0 0 0 23 55 1 0 0 0 0 24 25 2 0 0 0 0 24 56 1 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 M END > (501982) 501982 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 62 65 0 0 0 999 V2000 -0.0159 1.3183 0.0093 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2075 -0.6934 -0.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0976 2.0250 0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3337 1.4036 -0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3942 0.0226 -0.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7018 -0.7190 -0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7991 0.1685 0.3546 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7793 1.4017 -0.4479 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5807 2.2476 -0.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0956 -0.5127 0.2411 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4062 3.3966 -0.9748 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1615 3.1477 -2.3126 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9955 4.1993 -3.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0745 5.5060 -2.7337 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3201 5.7531 -1.3908 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4854 4.6980 -0.5145 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9120 6.5422 -3.5979 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0063 7.8606 -3.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1668 -0.6929 0.0119 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3720 0.0747 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5770 -0.8681 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8674 -0.0462 0.0584 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0243 -0.9514 0.0670 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2678 -0.2136 0.3235 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4624 -1.1596 0.1814 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3158 -2.3123 1.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9903 -3.0342 0.9212 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8384 -2.0338 1.0418 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2201 -1.7733 -0.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0438 3.1036 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6498 -1.5623 0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8886 -1.0907 -1.0542 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7003 1.9607 -0.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6866 1.1493 -1.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7557 2.6376 0.9872 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2241 -0.8821 -0.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8962 0.1883 0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1284 -1.3498 0.9385 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1004 2.1303 -2.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8047 4.0043 -4.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3824 6.7694 -1.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6766 4.8899 0.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9919 8.0012 -2.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 8.5921 -3.8492 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2411 7.9942 -2.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3921 0.6985 0.9237 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4128 0.7080 -0.8562 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5569 -1.4919 -0.8546 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5362 -1.5014 0.9252 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8875 0.5776 0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9082 0.5871 -0.8278 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2461 0.1947 1.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3619 0.6005 -0.3951 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3841 -0.6154 0.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4928 -1.5577 -0.8328 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3245 -1.9181 2.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1422 -3.0115 1.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8602 -3.8292 1.6555 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9975 -3.4617 -0.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8942 -2.5416 0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8234 -1.6170 2.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 2 20 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 12 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 17 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 15 2 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 28 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 29 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 M END > (501984) 501984 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 55 58 0 0 0 999 V2000 -0.0167 1.3778 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2082 -0.6798 -0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3965 0.0258 -0.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3796 1.4092 -0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1719 2.0858 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2272 -2.1867 -0.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6711 -4.4663 0.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -4.1656 1.1051 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5322 -2.7106 1.2364 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3681 -3.7529 -1.1869 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5122 -2.6893 -1.2475 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7429 -2.0724 -2.4648 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1371 -2.4872 -3.5599 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 -3.5030 -3.5416 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9897 -4.1670 -2.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9811 -3.1744 -5.8787 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7499 -3.7608 -7.0644 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3968 -2.9851 -8.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1350 -3.5482 -9.4735 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0087 -2.6903 -10.6587 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6646 -3.3767 -11.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1414 -3.6358 -11.5484 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2462 -4.4908 -10.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5445 -3.7721 -9.1278 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8720 2.2960 -0.0215 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1489 3.8216 0.0110 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3108 -3.8989 -4.6919 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9592 1.9051 0.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 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0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 M END > (508450) 508450 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 58 61 0 0 0 999 V2000 -0.0167 1.3778 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2082 -0.6798 -0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3965 0.0258 -0.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3796 1.4092 -0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1719 2.0858 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2272 -2.1867 -0.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6684 -4.4690 0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3502 -4.1659 1.0998 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5238 -2.7108 1.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -3.7556 -1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5202 -2.6893 -1.2521 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7578 -2.0713 -2.4676 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1622 -2.4886 -3.5673 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 -3.5077 -3.5555 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9678 -4.1724 -2.3709 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9343 -3.1811 -5.8948 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6911 -3.7709 -7.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3308 -2.9943 -8.3546 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0574 -3.5607 -9.4988 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9249 -2.7029 -10.6832 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5683 -3.3922 -11.8886 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0465 -3.6570 -11.5899 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1583 -4.5119 -10.3245 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4688 -3.7901 -9.1645 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8720 2.2960 -0.0215 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1489 3.8216 0.0110 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0064 -4.7743 2.3919 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2709 -3.9064 -4.7105 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9592 1.9051 0.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5564 0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3384 -0.5026 -0.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2597 -2.5359 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6899 -5.5439 -0.0916 H 0 0 0 0 0 0 0 0 0 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0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 M END > (508451) 508451 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 55 58 0 0 0 999 V2000 -0.0167 1.3779 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2083 -0.6792 -0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3965 0.0274 -0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3790 1.4094 -0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1721 2.0856 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2281 -2.1860 -0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6686 -4.4668 0.1026 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3579 -4.1650 1.1067 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5332 -2.7099 1.2374 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3654 -3.7541 -1.1859 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5136 -2.6895 -1.2465 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7446 -2.0732 -2.4641 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1403 -2.4896 -3.5594 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7053 -3.5066 -3.5412 C 0 0 0 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0 0 0 0 0 1.1468 -2.4925 2.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4408 -2.2322 1.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.2394 -2.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6758 -5.0003 -2.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0963 -3.2559 -6.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2484 -2.1323 -5.7528 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4686 -4.8158 -7.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8132 -3.6922 -6.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6625 -1.9452 -8.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3178 -3.0688 -8.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4948 -1.7475 -10.4732 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9447 -2.5260 -10.8714 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5736 -2.7451 -12.7364 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1498 -4.3351 -12.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6427 -2.7005 -11.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5895 -4.1784 -12.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2846 -4.6575 -10.0344 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7559 -5.4681 -10.4551 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5952 -4.3958 -8.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0230 -2.8255 -8.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 3 4 2 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 26 1 0 0 0 0 7 12 1 0 0 0 0 7 10 1 0 0 0 0 7 32 1 0 0 0 0 8 11 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 27 1 0 0 0 0 16 39 1 0 0 0 0 17 27 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 M END > (508453) 508453 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation 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2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 16 39 1 0 0 0 0 17 29 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 M END > (508478) 508478 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 62 65 0 0 0 999 V2000 -0.0167 1.3782 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2076 -0.6815 -0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3963 0.0219 -0.0199 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3802 1.4093 -0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1697 2.0864 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2243 -2.1884 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0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 16 40 1 0 0 0 0 17 29 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 M END > (508481) 508481 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 59 62 0 0 0 999 V2000 -0.0167 1.3772 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -0.6802 -0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 0.0239 -0.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3846 1.4052 -0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1759 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2256 -2.1871 -0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6748 -4.4648 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3528 -4.1648 1.1064 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5304 -2.7099 1.2372 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3714 -3.7522 -1.1856 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5099 -2.6895 -1.2467 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7409 -2.0732 -2.4642 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1345 -2.4878 -3.5591 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7136 -3.5028 -3.5403 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9937 -4.1661 -2.3533 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9848 -3.1747 -5.8774 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7544 -3.7608 -7.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4009 -2.9859 -8.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1399 -3.5486 -9.4718 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0130 -2.6914 -10.6573 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6699 -3.3775 -11.8573 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1468 -3.6351 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0 0 0 7 10 1 0 0 0 0 7 33 1 0 0 0 0 8 11 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 28 1 0 0 0 0 16 40 1 0 0 0 0 17 28 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 27 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 M END > (508482) 508482 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 58 61 0 0 0 999 V2000 -0.0167 1.3778 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2082 -0.6795 -0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3969 0.0264 -0.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3806 1.4083 -0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1732 2.0858 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2273 -2.1863 -0.0199 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6707 -4.4660 0.1043 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3564 -4.1646 1.1078 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5324 -2.7095 1.2382 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3677 -3.7535 -1.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5124 -2.6899 -1.2457 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 -2.0737 -2.4634 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1372 -2.4893 -3.5582 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7098 -3.5052 -3.5393 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9893 -4.1685 -2.3522 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9809 -3.1781 -5.8766 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7496 -3.7655 -7.0619 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3967 -2.9905 -8.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1348 -3.5544 -9.4711 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 -2.6974 -10.6569 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6644 -3.3846 -11.8567 C 0 0 0 0 0 0 0 0 0 0 0 0 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0 0 0 8 11 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 28 1 0 0 0 0 16 39 1 0 0 0 0 17 28 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 M END > (508491) 508491 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 58 61 0 0 0 999 V2000 -0.0167 1.3781 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2084 -0.6789 -0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3961 0.0285 -0.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3773 1.4107 -0.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1709 2.0855 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2289 -2.1857 -0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6667 -4.4674 0.1045 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3603 -4.1647 1.1078 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 -2.7095 1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3646 -3.7549 -1.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5139 -2.6899 -1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7438 -2.0739 -2.4638 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1391 -2.4910 -3.5587 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 -3.5084 -3.5395 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9846 -4.1718 -2.3523 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9773 -3.1826 -5.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7447 -3.7717 -7.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3930 -2.9965 -8.3336 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1298 -3.5621 -9.4716 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0050 -2.7052 -10.6576 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6593 -3.3940 -11.8574 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1357 -3.6556 -11.5468 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2391 -4.5096 -10.2801 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5389 -3.7885 -9.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0265 -4.7728 2.4027 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3058 -3.9066 -4.6896 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9592 1.9054 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9258 -0.5567 0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3386 -0.4987 -0.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3052 1.9634 -0.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1563 3.1654 0.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2621 -2.5327 -0.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6903 -5.5423 -0.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6395 -4.1447 0.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 -2.4915 2.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4391 -2.2322 1.3441 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4278 -1.2398 -2.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6751 -5.0022 -2.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0939 -3.2582 -6.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2511 -2.1350 -5.7513 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4709 -4.8192 -7.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8159 -3.6961 -6.8753 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6668 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0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 27 1 0 0 0 0 16 39 1 0 0 0 0 17 27 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 M END > (508529) 508529 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 55 58 0 0 0 999 V2000 -0.0167 1.3781 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1709 2.0855 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3773 1.4107 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0285 -0.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2085 -0.6789 -0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 2.1819 -0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6219 4.9925 -0.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8822 3.9699 -1.1548 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7312 3.0607 -1.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1975 4.3484 1.1551 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7509 3.0419 1.2112 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3697 2.5105 2.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4296 3.2324 3.5327 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8539 4.4852 3.5189 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2507 5.0825 2.3301 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4791 4.5207 5.8644 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6022 5.4703 7.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1501 4.7512 8.3304 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2682 5.6629 9.4762 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6261 5.0954 10.6686 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8936 6.0005 11.8733 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3382 7.3987 11.5882 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9875 7.9473 10.3146 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7173 6.9857 9.1552 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9014 5.1923 4.6758 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9591 1.9053 0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1563 3.1654 0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3385 -0.4987 -0.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2231 -1.7588 -0.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9258 -0.5567 0.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5085 1.4831 -0.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5288 5.5734 0.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8310 5.6565 -0.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1011 4.3933 -2.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 2.4328 -2.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8128 3.6420 -1.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0179 1.4906 2.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5967 6.1055 2.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1075 3.6456 6.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4409 4.2071 5.7552 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6404 5.7839 7.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9738 6.3453 6.8921 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1119 4.4376 8.2211 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7785 3.8761 8.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5515 5.0209 10.5018 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0330 4.1029 10.8626 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4037 5.5872 12.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9674 6.0644 12.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2585 7.3407 11.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5648 8.0584 12.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5648 8.9249 10.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0628 8.0418 10.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1904 7.3662 8.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6423 6.9024 8.9954 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 3 4 2 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 7 12 1 0 0 0 0 7 10 1 0 0 0 0 7 32 1 0 0 0 0 8 11 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 26 1 0 0 0 0 16 39 1 0 0 0 0 17 26 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 M END > (508530) 508530 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 58 61 0 0 0 999 V2000 -0.0167 1.3780 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -0.6793 -0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3974 0.0291 -0.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3773 1.4137 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1706 2.0866 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2281 -2.1862 -0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6683 -4.4672 0.1029 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3587 -4.1654 1.1064 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5338 -2.7103 1.2372 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3661 -3.7540 -1.1856 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5133 -2.6898 -1.2467 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7433 -2.0731 -2.4642 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1376 -2.4887 -3.5591 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7087 -3.5052 -3.5403 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9876 -4.1690 -2.3534 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9804 -3.1775 -5.8775 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7490 -3.7649 -7.0628 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3968 -2.9894 -8.3338 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1347 -3.5534 -9.4719 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0093 -2.6959 -10.6574 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6649 -3.3831 -11.8574 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1414 -3.6433 -11.5464 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2454 -4.4979 -10.2802 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5440 -3.7784 -9.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0247 -4.7739 2.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5767 -0.6299 -0.0350 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3094 -3.9019 -4.6904 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9594 1.9048 0.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9259 -0.5565 0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3046 1.9675 -0.0185 H 0 0 0 0 0 0 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20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 M END > (508531) 508531 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 54 56 0 0 0 999 V2000 -0.5429 2.2929 -0.4281 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6191 0.9199 -0.2901 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5338 0.1765 -0.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7638 0.8057 -0.0814 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8420 2.1801 -0.2194 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6876 2.9243 -0.3931 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4491 -1.3206 0.0332 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6052 -3.4570 0.2063 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6553 -3.1086 1.2690 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3916 -1.6610 1.2648 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1376 -2.9092 -1.1134 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1847 -1.9120 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H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6366 -5.2668 -11.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5080 -6.7264 -10.5334 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 3 4 2 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 18 1 0 0 0 0 5 6 2 0 0 0 0 6 19 1 0 0 0 0 7 12 1 0 0 0 0 7 10 1 0 0 0 0 7 31 1 0 0 0 0 8 11 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 38 1 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 M END > (508532) 508532 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 58 60 0 0 0 999 V2000 -0.5422 2.2928 -0.4283 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6184 0.9204 -0.2903 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5344 0.1768 -0.1173 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7659 0.8043 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8474 2.1765 -0.2191 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6922 2.9249 -0.3932 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4483 -1.3202 0.0336 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6080 -3.4547 0.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6575 -3.1068 1.2702 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3925 -1.6594 1.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1402 -2.9078 -1.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1863 -1.9114 -1.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1965 -1.4481 -2.4439 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3343 -1.9453 -3.5436 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2478 -2.9011 -3.5022 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6795 -3.4119 -2.2856 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7673 -3.3859 -4.6580 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7698 4.2749 -0.5288 O 0 0 0 0 0 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0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 61 63 0 0 0 999 V2000 -1.8604 -0.2281 0.5928 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9216 -1.5914 0.3786 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7826 -2.3646 0.5082 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4201 -1.7757 0.8522 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4865 -0.4128 1.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6548 0.3652 0.9382 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8524 -3.8517 0.2744 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8650 -5.9453 -0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0626 -5.8785 0.8836 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8323 -4.4771 1.2684 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2491 -5.0934 -1.4178 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3146 -4.1157 -1.1341 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7903 -3.3621 -2.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1692 -3.5671 -3.4159 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0594 -4.4949 -3.7264 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6277 -5.2864 -2.7376 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4204 -4.6742 -5.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5920 1.7062 1.1494 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8062 2.4444 0.9981 C 0 0 0 0 0 0 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27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 M END > (508535) 508535 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 57 59 0 0 0 999 V2000 0.3825 3.7953 -0.5577 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5170 4.5589 -0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7682 3.9931 -0.5149 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8849 2.6636 -0.8751 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7504 1.8998 -1.0759 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4992 2.4659 -0.9184 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0050 4.8259 -0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7539 7.6283 0.3364 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0916 6.9218 -0.9044 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0087 5.9984 -1.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3692 6.6473 1.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0160 5.3433 1.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6666 4.4920 2.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6692 4.9089 3.4027 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0037 6.1487 3.7199 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3637 7.0566 2.7334 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9945 6.5363 5.0201 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3729 7.8702 -1.9904 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6144 5.5551 5.9869 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6633 6.1722 7.3862 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2562 5.1216 8.4213 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3032 5.7141 9.7648 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2859 6.7634 9.9132 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6123 7.6205 11.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1512 4.6833 10.8003 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4649 3.9135 10.9504 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5951 4.2361 -0.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4258 5.5976 -0.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8624 2.2218 -0.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8416 0.8612 -1.3576 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3872 1.8693 -1.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8889 4.2104 -0.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6164 8.2060 0.6687 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9199 8.3050 0.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1765 5.6279 -2.2894 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0519 6.5184 -1.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3877 3.4723 1.9309 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6363 8.0685 2.9943 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 8.5506 -1.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6883 7.3226 -2.8785 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4724 8.4413 -2.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6016 5.2112 5.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3023 4.7111 5.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6760 6.5161 7.5964 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9753 7.0162 7.4353 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2435 4.7777 8.2111 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9442 4.2775 8.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2786 7.3910 9.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3060 6.3039 10.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4881 7.0246 12.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6425 7.9706 11.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9390 8.4770 11.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8966 5.1560 11.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3570 3.9941 10.5131 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7233 3.4469 9.9998 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2575 4.6014 11.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3499 3.1438 11.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 3 4 2 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 7 12 1 0 0 0 0 7 10 1 0 0 0 0 7 32 1 0 0 0 0 8 11 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 18 1 0 0 0 0 9 10 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 38 1 0 0 0 0 17 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 M END > (508536) 508536 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 57 60 0 0 0 999 V2000 -0.0167 1.3772 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -0.6802 -0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 0.0239 -0.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3846 1.4052 -0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1759 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2256 -2.1871 -0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6748 -4.4648 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3528 -4.1648 1.1064 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5304 -2.7099 1.2372 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3714 -3.7522 -1.1856 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5099 -2.6895 -1.2467 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7409 -2.0732 -2.4642 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1345 -2.4878 -3.5591 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7136 -3.5028 -3.5403 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9937 -4.1661 -2.3533 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3150 -3.8985 -4.6903 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1601 3.4449 0.0095 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1205 4.0787 0.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9848 -3.1747 -5.8774 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7544 -3.7608 -7.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4009 -2.9859 -8.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1399 -3.5486 -9.4718 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0129 -2.6904 -10.6587 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7460 -3.3423 -11.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1112 -3.5674 -11.4721 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2718 -4.3999 -10.3204 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5541 -3.7587 -9.1297 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9589 1.9049 0.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5563 0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3387 -0.5065 -0.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3144 1.9547 -0.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2581 -2.5361 -0.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7009 -5.5396 -0.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6468 -4.1403 0.4744 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1226 -4.5823 1.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1446 -2.4935 2.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4428 -2.2307 1.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4271 -1.2410 -2.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6870 -4.9941 -2.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0097 5.1609 0.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6822 3.7842 -0.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6659 3.7746 0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2556 -2.1265 -5.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -3.2533 -6.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4837 -4.8091 -7.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8253 -3.6822 -6.8753 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6717 -1.9376 -8.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3301 -3.0645 -8.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4529 -1.7149 -10.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 -2.5692 -10.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7032 -2.6827 -12.7007 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2721 -4.2936 -12.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3325 -4.5052 -10.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8422 -5.3819 -10.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6253 -4.4173 -8.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0187 -2.8003 -8.8978 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 3 4 2 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 32 1 0 0 0 0 6 18 1 0 0 0 0 7 12 1 0 0 0 0 7 10 1 0 0 0 0 7 33 1 0 0 0 0 8 11 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 40 1 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 M END > (508537) 508537 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 60 63 0 0 0 999 V2000 -0.0167 1.3772 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -0.6802 -0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 0.0239 -0.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3846 1.4052 -0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1759 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2256 -2.1871 -0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6722 -4.4676 0.0899 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3470 -4.1651 1.1011 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5219 -2.7101 1.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3605 -3.7549 -1.1967 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5178 -2.6894 -1.2513 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7558 -2.0721 -2.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1596 -2.4892 -3.5665 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6846 -3.5076 -3.5542 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9718 -4.1716 -2.3693 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2751 -3.9061 -4.7089 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1601 3.4449 0.0095 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1205 4.0787 0.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9381 -3.1814 -5.8935 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6957 -3.7710 -7.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3349 -2.9952 -8.3533 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0623 -3.5613 -9.4971 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9291 -2.7030 -10.6832 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 -3.3582 -11.8642 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0172 -3.5885 -11.5134 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1839 -4.4212 -10.3627 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4785 -3.7768 -9.1665 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0028 -4.7727 2.3935 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9589 1.9049 0.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5563 0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3387 -0.5065 -0.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3144 1.9547 -0.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2577 -2.5373 -0.0296 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6947 -5.5425 -0.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6477 -4.1449 0.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1296 -2.4925 2.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4526 -2.2319 1.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4389 -1.2371 -2.5156 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6626 -5.0017 -2.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0097 5.1609 0.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6822 3.7842 -0.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6659 3.7746 0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2140 -2.1342 -5.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1346 -3.2559 -6.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4198 -4.8182 -7.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7684 -3.6966 -6.9062 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6108 -1.9480 -8.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2622 -3.0696 -8.5319 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3745 -1.7292 -10.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8737 -2.5777 -10.9252 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6027 -2.6988 -12.7308 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1704 -4.3077 -12.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2460 -4.5306 -10.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7489 -5.4016 -10.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5541 -4.4353 -8.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9487 -2.8201 -8.9388 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1350 -5.8463 2.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8081 -4.5925 3.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9199 -4.3303 2.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 3 4 2 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 18 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 7 34 1 0 0 0 0 8 11 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 40 1 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 M END > (508539) 508539 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 53 56 0 0 0 999 V2000 -0.0167 1.3781 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1709 2.0855 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3773 1.4107 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0285 -0.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2085 -0.6789 -0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 2.1819 -0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6219 4.9925 -0.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8822 3.9699 -1.1548 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7312 3.0607 -1.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1975 4.3484 1.1551 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7509 3.0419 1.2112 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3697 2.5105 2.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4296 3.2324 3.5327 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8539 4.4852 3.5189 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2507 5.0825 2.3301 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9014 5.1923 4.6758 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4791 4.5207 5.8644 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6022 5.4703 7.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1501 4.7512 8.3304 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2682 5.6629 9.4762 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6254 5.0947 10.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8235 6.0475 11.8519 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2975 7.3338 11.5141 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9016 7.9169 10.3564 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7043 6.9831 9.1593 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9591 1.9053 0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1563 3.1654 0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3385 -0.4987 -0.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2231 -1.7588 -0.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9258 -0.5567 0.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5085 1.4831 -0.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5288 5.5734 0.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8310 5.6565 -0.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1011 4.3933 -2.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 2.4328 -2.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8128 3.6420 -1.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0179 1.4906 2.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5967 6.1055 2.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4409 4.2071 5.7552 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1075 3.6456 6.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6404 5.7839 7.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9738 6.3453 6.8921 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1119 4.4376 8.2211 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7785 3.8761 8.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5596 4.9643 10.4822 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0757 4.1294 10.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2999 5.6580 12.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8869 6.1359 12.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4347 8.8795 10.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9674 8.0597 10.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2123 7.3962 8.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6398 6.8829 8.9475 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 3 4 2 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 7 12 1 0 0 0 0 7 10 1 0 0 0 0 7 32 1 0 0 0 0 8 11 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 M END > (508540) 508540 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 58 61 0 0 0 999 V2000 -0.0167 1.3778 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2082 -0.6798 -0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3965 0.0258 -0.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3796 1.4092 -0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1719 2.0858 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2272 -2.1867 -0.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6684 -4.4690 0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3502 -4.1659 1.0998 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5238 -2.7108 1.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -3.7556 -1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5202 -2.6893 -1.2521 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7578 -2.0713 -2.4676 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1622 -2.4886 -3.5673 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 -3.5077 -3.5555 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9678 -4.1724 -2.3709 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2709 -3.9064 -4.7105 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8720 2.2960 -0.0215 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1489 3.8216 0.0110 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9343 -3.1811 -5.8948 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6911 -3.7709 -7.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -2.9191 -8.3316 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1389 -3.5480 -9.5327 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6395 -4.9136 -9.7380 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9221 -5.7630 -8.5739 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2059 -5.2002 -7.3442 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1968 -5.4991 -10.9646 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5605 -6.8686 -11.2108 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7105 -5.6603 -10.8107 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9592 1.9051 0.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5564 0.0083 H 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 0 0 0.7578 -2.0713 -2.4676 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1622 -2.4886 -3.5673 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 -3.5077 -3.5555 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9678 -4.1724 -2.3709 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2709 -3.9064 -4.7105 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8720 2.2960 -0.0215 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1489 3.8216 0.0110 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9343 -3.1811 -5.8948 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6911 -3.7709 -7.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -2.9191 -8.3316 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1389 -3.5480 -9.5327 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6395 -4.9136 -9.7380 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9221 -5.7630 -8.5739 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2059 -5.2002 -7.3442 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1968 -5.4991 -10.9646 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5605 -6.8686 -11.2108 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7105 -5.6603 -10.8107 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0064 -4.7743 2.3919 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9592 1.9051 0.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5564 0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3384 -0.5026 -0.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2597 -2.5359 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6899 -5.5439 -0.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6443 -4.1474 0.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1311 -2.4930 2.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4512 -2.2336 1.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4402 -1.2356 -2.5157 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6578 -5.0032 -2.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2112 -2.1341 -5.7707 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1385 -3.2544 -6.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7595 -3.7814 -6.8706 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8111 -1.9111 -8.1699 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3570 -2.8760 -8.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2122 -3.5782 -9.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9425 -2.9517 -10.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9965 -5.7827 -8.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5684 -6.7754 -8.7686 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1303 -5.1930 -7.5211 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4285 -5.8220 -6.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9853 -4.8431 -11.8090 H 0 0 0 0 0 0 0 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0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 M END > (508542) 508542 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 62 65 0 0 0 999 V2000 -0.0167 1.3772 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -0.6802 -0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 0.0239 -0.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3846 1.4052 -0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1759 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2256 -2.1871 -0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6722 -4.4676 0.0899 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3470 -4.1651 1.1011 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5219 -2.7101 1.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3605 -3.7549 -1.1967 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5178 -2.6894 -1.2513 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7558 -2.0721 -2.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1596 -2.4892 -3.5665 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6846 -3.5076 -3.5542 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9718 -4.1716 -2.3693 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2751 -3.9061 -4.7089 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9381 -3.1814 -5.8935 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6957 -3.7710 -7.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4331 -2.9198 -8.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1438 -3.5485 -9.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6457 -4.9147 -9.7360 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9289 -5.7633 -8.5715 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2119 -5.2008 -7.3422 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2039 -5.5000 -10.9623 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5689 -6.8702 -11.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7177 -5.6597 -10.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1601 3.4449 0.0095 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1205 4.0787 0.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9589 1.9049 0.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5563 0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3387 -0.5065 -0.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3144 1.9547 -0.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2577 -2.5373 -0.0296 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6947 -5.5425 -0.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6477 -4.1449 0.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1106 -4.5825 1.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1296 -2.4925 2.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4526 -2.2319 1.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4389 -1.2371 -2.5156 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6626 -5.0017 -2.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2140 -2.1342 -5.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1346 -3.2559 -6.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7640 -3.7804 -6.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8142 -1.9115 -8.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3611 -2.8778 -8.5229 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2171 -3.5776 -9.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9470 -2.9527 -10.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0033 -5.7820 -8.3884 H 0 0 0 0 0 0 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11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 28 29 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 M END > (508543) 508543 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 65 68 0 0 0 999 V2000 -0.0167 1.3772 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -0.6802 -0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 0.0239 -0.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3846 1.4052 -0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1759 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2256 -2.1871 -0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6722 -4.4676 0.0899 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3470 -4.1651 1.1011 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5219 -2.7101 1.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3605 -3.7549 -1.1967 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5178 -2.6894 -1.2513 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7558 -2.0721 -2.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1596 -2.4892 -3.5665 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6846 -3.5076 -3.5542 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9718 -4.1716 -2.3693 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2751 -3.9061 -4.7089 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9381 -3.1814 -5.8935 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6957 -3.7710 -7.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4331 -2.9198 -8.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1438 -3.5485 -9.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6457 -4.9147 -9.7360 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9289 -5.7633 -8.5715 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2119 -5.2008 -7.3422 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2039 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0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 3 4 2 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 28 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 7 35 1 0 0 0 0 8 11 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 28 29 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 M END > (508544) 508544 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 68 70 0 0 0 999 V2000 -0.1014 1.3536 0.0895 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0714 2.0942 0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2970 1.4466 0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3467 0.0665 -0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1764 -0.6694 -0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0463 -0.0264 0.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2335 -2.1749 -0.0386 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0522 -2.7272 1.3766 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1907 -2.6705 -0.8806 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4512 -3.8043 -1.5831 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 -4.3871 -2.3554 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2756 -5.5397 -3.0685 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9816 -6.1124 -3.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9741 -5.5337 -2.2437 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7136 -4.3777 -1.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2341 -4.2463 1.3584 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 -4.7766 2.7172 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3225 -4.5957 3.1798 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4576 -6.1891 2.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2706 -7.3697 -3.7919 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7369 -7.0316 -5.0669 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2441 -8.1193 -3.1229 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 -8.1253 -3.9090 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0199 3.4518 0.0985 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2763 4.0506 0.1573 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1336 5.5737 0.1869 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5214 6.2148 0.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3844 7.6771 0.2783 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6870 8.3312 0.1003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5291 9.8428 0.2801 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5263 10.3722 -0.7487 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1927 9.6405 -0.5734 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4184 8.1348 -0.7285 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0565 1.8553 0.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2114 2.0209 -0.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3005 -0.4382 -0.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9591 -0.6034 0.0741 H 0 0 0 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5.8804 1.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0647 8.1221 -0.9006 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3897 7.9488 0.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4932 10.3295 0.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1646 10.0535 1.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9088 10.1965 -1.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3780 11.4413 -0.5961 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5125 9.9827 -1.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2086 9.8481 0.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5268 7.6098 -0.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8067 7.9266 -1.7255 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 3 4 2 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 38 1 0 0 0 0 8 16 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 12 13 2 0 0 0 0 12 42 1 0 0 0 0 13 20 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 28 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 30 31 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 31 32 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 32 33 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 33 67 1 0 0 0 0 33 68 1 0 0 0 0 M END > (510264) 510264 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 65 67 0 0 0 999 V2000 -0.0084 1.2859 0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0479 -0.0996 0.0641 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 -0.7403 0.0652 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4401 -0.0016 0.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3867 1.3798 -0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1654 2.0250 -0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6620 2.1820 -0.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2437 2.2768 1.3755 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6047 1.5406 -0.8979 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4505 2.3446 -1.5944 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4451 1.7878 -2.3852 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3037 2.6072 -3.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1723 3.9813 -3.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1822 4.5387 -2.2243 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3172 3.7235 -1.5202 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4686 3.1935 1.3619 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0271 3.2845 2.7176 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3323 3.9584 2.7051 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0935 3.9621 3.6271 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2113 1.9183 0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3779 1.0936 0.0524 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6272 1.9768 0.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8763 1.0938 0.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0758 1.9417 0.0589 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2867 1.1376 -0.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5228 2.0292 -0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4513 3.1561 -1.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1577 3.9483 -0.8375 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9611 3.0011 -0.9515 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8644 -0.6771 0.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3164 -1.8190 0.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3960 -0.5043 0.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1242 3.1039 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4510 3.1838 -0.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4921 2.6846 2.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5370 1.2834 1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5483 0.7145 -2.4477 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0783 2.1742 -3.7076 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8445 4.6202 -3.5655 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0821 5.6123 -2.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5439 4.1594 -0.9051 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2201 2.7857 0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1752 4.1868 1.0224 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2171 4.9662 2.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7231 4.0123 3.7211 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0252 3.3967 2.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1588 3.4030 3.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5318 4.0159 4.6237 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8972 4.9700 3.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3845 0.4422 -0.8215 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3712 0.4868 0.9578 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6207 2.6282 0.9136 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6340 2.5836 -0.8658 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8829 0.4424 -0.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8696 0.4869 0.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2642 0.6998 -1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3275 0.3424 0.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4208 1.4352 -0.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5534 2.4564 0.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4600 2.7307 -2.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3081 3.8185 -0.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0803 4.7256 -1.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1668 4.4058 0.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0392 3.5595 -0.7892 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9448 2.5546 -1.9457 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 34 1 0 0 0 0 8 16 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 14 15 2 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 28 29 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 M END > (510265) 510265 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 65 67 0 0 0 999 V2000 6.3437 5.6736 -1.1237 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4128 7.0036 -0.7533 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4096 7.5591 0.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3370 6.7847 0.4197 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2675 5.4549 0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2714 4.8991 -0.7221 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0985 4.6106 0.4863 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0954 4.4933 -0.6631 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5611 3.3083 0.8496 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0187 3.1479 2.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1277 4.2450 2.9616 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5926 4.0820 4.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 2.8213 4.7064 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8402 1.7240 3.8651 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3712 1.8863 2.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8528 3.7422 -0.1808 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1103 3.6296 -1.2844 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4175 2.7782 -2.3589 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4052 3.1290 -0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4085 2.6610 5.9765 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7583 1.3347 6.3775 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2491 1.3527 7.8265 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6236 -0.0673 8.2558 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0948 -0.0500 9.6471 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2382 -1.4142 10.1711 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8664 -1.3630 11.5657 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9743 -0.5317 12.4917 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8016 0.8694 11.8986 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2043 0.7534 10.4944 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1253 5.2407 -1.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2508 7.6086 -1.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4639 8.5980 0.3086 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5536 7.2185 1.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2169 3.8602 -1.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6147 5.0769 1.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8099 5.4900 -0.9994 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5517 3.9479 -1.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8494 5.2267 2.6078 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6781 4.9364 4.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1185 0.7423 4.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2856 1.0319 1.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1383 2.7455 0.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3965 4.2876 0.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6182 1.7811 -1.9669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3153 2.7118 -3.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3413 3.2099 -2.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8064 3.8158 -0.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0993 3.0552 -1.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2705 2.1446 -0.3558 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8840 0.6887 6.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5497 0.9563 5.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1234 1.9988 7.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4577 1.7311 8.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7493 -0.7133 8.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4149 -0.4457 7.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2570 -1.8850 10.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8782 -1.9936 9.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9583 -2.3748 11.9607 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8535 -0.9049 11.5035 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9996 -1.0105 12.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4396 -0.4563 13.4746 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1328 1.4526 12.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7720 1.3626 11.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0934 1.7485 10.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2279 0.2726 10.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 35 1 0 0 0 0 8 16 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 20 1 0 0 0 0 14 15 2 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 28 29 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 M END > (510266) 510266 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 65 67 0 0 0 999 V2000 0.0155 1.4523 0.6293 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0376 0.0265 0.7222 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3828 -0.4913 0.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3591 -2.0179 1.0566 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7229 -2.5152 1.2820 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7792 -3.9764 1.1475 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1757 -4.4717 1.5301 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2132 -3.8158 0.6147 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1008 -2.2937 0.7374 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6775 -1.8615 0.3778 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2049 2.0755 0.4199 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7964 9.4411 1.0976 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8366 9.9210 1.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6968 9.1797 2.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5168 7.9585 1.5961 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4765 7.4786 0.7247 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6164 8.2199 0.4754 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2803 6.1472 0.0464 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7763 6.3713 -1.3807 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5239 5.4445 0.0076 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4706 4.0901 0.1059 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2560 3.4575 0.3196 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3700 1.3297 0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5798 1.9628 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6325 3.3393 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4585 5.0215 -2.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0254 5.2366 -3.3974 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0352 5.7910 -4.2493 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5626 3.9938 -3.9672 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4283 -0.3920 -0.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6758 -0.2735 1.5534 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7734 -0.0728 1.8846 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0209 -0.1913 0.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9684 -2.4365 0.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7209 -2.3180 1.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5653 -4.2546 0.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0395 -4.4306 1.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2218 -5.5547 1.4152 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3849 -4.2059 2.5663 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0277 -4.1127 -0.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2130 -4.1324 0.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8080 -1.8205 0.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3246 -1.9936 1.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5903 -0.7796 0.4779 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4594 -2.1496 -0.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6849 10.0223 0.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9775 10.8750 2.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0527 9.5543 2.8997 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3734 7.3790 1.7914 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3661 7.8451 -0.2057 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5487 5.5607 0.6022 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1252 6.9835 -1.3558 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5452 6.8804 -1.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3508 4.0400 0.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3314 0.2536 0.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4856 1.3806 0.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5791 3.8318 -0.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 4.4093 -2.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3104 4.5124 -1.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8759 5.0979 -4.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6501 5.9405 -5.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3666 6.7461 -3.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3928 3.6423 -3.3546 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9138 4.1813 -4.9819 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2202 3.2355 -3.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 11 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 22 1 0 0 0 0 11 23 2 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 47 1 0 0 0 0 14 15 2 0 0 0 0 14 48 1 0 0 0 0 15 16 1 0 0 0 0 15 49 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 51 1 0 0 0 0 19 26 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 54 1 0 0 0 0 23 24 1 0 0 0 0 23 55 1 0 0 0 0 24 25 2 0 0 0 0 24 56 1 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 M END > (510267) 510267 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 65 67 0 0 0 999 V2000 2.1195 1.0298 0.2677 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8403 -6.3412 1.4717 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8281 -6.7302 2.3649 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9398 -5.9236 2.5605 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0608 -4.7358 1.8656 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0749 -4.3504 0.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9658 -5.1523 0.7796 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2093 -3.0539 0.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7138 -3.3394 -1.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9362 -2.4086 0.1506 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9323 -1.0496 0.1533 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1261 -0.3516 0.2647 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9244 1.7168 0.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2667 1.0235 0.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2655 -0.3579 0.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9690 -2.0174 -1.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4534 -2.2916 -3.2825 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4841 -1.0635 -4.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7743 -2.9338 -3.2512 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7067 -7.8991 3.0473 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5355 -8.6783 2.7961 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8175 -10.1468 3.1256 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4574 -10.9662 2.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5241 -10.4478 3.7789 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8450 -9.0533 3.4491 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6115 -8.1768 3.6778 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7215 -11.2955 3.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7623 -10.7978 4.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3049 -11.2304 2.2911 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0481 1.5736 0.3589 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0239 -6.9695 1.3144 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7099 -6.2240 3.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9260 -4.1075 2.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1971 -4.8490 0.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9181 -2.4050 0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6411 -3.9099 -1.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9642 -3.9142 -1.7401 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0599 -0.8878 0.3486 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9213 2.7968 0.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1988 1.5624 -0.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1961 -0.8990 -0.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 -1.4470 -1.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7187 -1.4427 -1.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1494 -0.3383 -3.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8465 -1.2950 -5.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4793 -0.6462 -4.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7073 -3.8761 -2.7074 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1092 -3.1256 -4.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4863 -2.2763 -2.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2558 -8.5877 1.7465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6046 -10.5219 2.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1358 -10.2320 4.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7673 -10.8917 1.8706 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2638 -12.0100 3.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1485 -8.9878 2.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6593 -8.7077 4.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3157 -8.2310 4.7255 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8455 -7.1444 3.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4529 -12.3254 3.9391 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6508 -11.4268 4.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3466 -10.8442 5.7156 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0309 -9.7679 4.4739 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5635 -11.5850 1.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1934 -11.8594 2.2356 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5736 -10.2005 2.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 2 31 1 0 0 0 0 3 20 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 35 1 0 0 0 0 9 16 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 14 15 2 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 59 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 M END > (510268) 510268 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 68 70 0 0 0 999 V2000 0.0316 1.4849 -0.3849 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 0.0180 -0.3301 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2595 -0.5150 -1.7604 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3873 0.1534 -2.4231 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1524 1.5982 -2.5469 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0526 2.2177 -1.1489 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6600 -0.4499 -3.7344 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7544 0.3485 -4.4455 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1249 -1.8951 -3.5442 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9646 2.1398 0.2437 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8622 1.5155 0.7747 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9657 3.6177 0.2872 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4518 11.1811 2.7826 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1680 4.3207 0.1957 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 4.3156 0.4259 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2270 5.6946 0.4663 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9677 6.3856 0.3698 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1620 5.6996 0.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9688 7.8920 0.4148 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0799 8.4445 -1.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0808 8.3446 1.1898 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8766 9.4237 1.9902 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6571 10.0847 1.9676 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4605 11.6198 3.6203 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6768 10.9627 3.6447 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8871 9.8658 2.8317 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9559 9.9691 -0.9736 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 10.4997 -2.3393 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4051 10.2705 -2.8897 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7139 11.9262 -2.3786 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2337 12.8158 4.5086 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6107 13.9793 3.8295 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0006 12.6852 5.6713 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1209 12.8931 4.8497 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9962 -0.2729 0.2538 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7790 -0.3883 0.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4390 -1.5897 -1.7325 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 -0.3134 -2.3127 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9796 2.0560 -3.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2222 1.7704 -3.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7652 3.2658 -1.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0151 2.1383 -0.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7514 -0.4369 -4.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6630 0.3354 -3.8436 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9567 -0.0992 -5.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4231 1.3781 -4.5811 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0336 -1.9082 -2.9422 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3453 -2.4639 -3.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3273 -2.3428 -4.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4989 11.6933 2.7686 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1008 3.7864 0.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1683 3.7774 0.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1554 6.2359 0.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0912 6.2450 0.1624 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0423 8.2426 0.8694 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2817 8.0287 -1.6224 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0458 8.1680 -1.4305 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1310 9.7426 1.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4632 11.3074 4.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8375 9.3532 2.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7541 10.3850 -0.3589 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 10.2457 -0.5508 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1447 10.7683 -2.2626 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4565 10.6729 -3.9014 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6102 9.2002 -2.9136 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3105 12.0595 -2.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8012 12.2935 -3.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3922 12.4839 -1.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 6 41 1 0 0 0 0 6 42 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 43 1 0 0 0 0 8 44 1 0 0 0 0 8 45 1 0 0 0 0 8 46 1 0 0 0 0 9 47 1 0 0 0 0 9 48 1 0 0 0 0 9 49 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 23 1 0 0 0 0 13 24 2 0 0 0 0 13 50 1 0 0 0 0 14 18 1 0 0 0 0 14 51 1 0 0 0 0 15 16 2 0 0 0 0 15 52 1 0 0 0 0 16 17 1 0 0 0 0 16 53 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 54 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 55 1 0 0 0 0 20 27 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 58 1 0 0 0 0 24 25 1 0 0 0 0 24 31 1 0 0 0 0 25 26 2 0 0 0 0 25 59 1 0 0 0 0 26 60 1 0 0 0 0 27 28 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 30 66 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 M END > (510269) 510269 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 65 67 0 0 0 999 V2000 0.0067 1.4406 0.3167 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0325 2.1180 1.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0899 1.4689 2.4939 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2693 0.0185 2.3452 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1246 -0.5921 1.6562 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0276 -0.0275 0.2349 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5011 -0.6196 3.6479 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7615 -0.0323 4.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6829 -2.1262 3.4527 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9618 2.1468 -0.3201 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8684 1.5691 -0.8873 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9067 3.6242 -0.3288 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 11.2190 -2.6567 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0797 4.3701 -0.2029 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3179 4.2792 -0.4688 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3622 5.6580 -0.4766 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8037 6.3915 -0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0214 5.7484 -0.2122 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7476 7.8974 -0.3554 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8175 8.4193 1.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8521 8.4105 -1.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6148 9.4924 -1.8904 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3779 10.1197 -1.8549 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1314 11.6941 -3.4942 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3649 11.0706 -3.5314 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6088 9.9710 -2.7316 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6355 9.9384 1.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7026 10.4396 2.4604 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0452 10.2484 3.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2990 11.8504 2.5282 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7856 3.1749 1.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9976 2.0099 0.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1604 1.6677 3.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9275 1.8833 3.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7916 -0.3647 2.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 -1.6724 1.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8987 -0.3420 -0.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8816 -0.3888 -0.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 -0.4381 4.2987 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9335 -0.5058 5.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6320 1.0410 4.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6168 -0.2138 3.6355 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5382 -2.3077 2.8019 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 -2.5445 2.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8549 -2.5996 4.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8251 11.7050 -2.6327 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0309 3.8693 -0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2286 3.7078 -0.5711 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3091 6.1660 -0.5852 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9278 6.3267 -0.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1852 8.2234 -0.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0273 7.9586 1.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7873 8.1695 1.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3974 9.7492 -1.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9425 12.5534 -4.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1384 11.4436 -4.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5726 9.4846 -2.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4258 10.3991 0.4884 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3342 10.1882 0.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7739 10.7890 2.4212 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0670 10.6280 4.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2908 9.1864 3.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7248 11.9531 2.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3579 12.1960 3.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9644 12.4490 1.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 9 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 43 1 0 0 0 0 9 44 1 0 0 0 0 9 45 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 23 1 0 0 0 0 13 24 2 0 0 0 0 13 46 1 0 0 0 0 14 18 1 0 0 0 0 14 47 1 0 0 0 0 15 16 2 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 49 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 50 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 51 1 0 0 0 0 20 27 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 55 1 0 0 0 0 25 26 2 0 0 0 0 25 56 1 0 0 0 0 26 57 1 0 0 0 0 27 28 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 M END > (510270) 510270 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 66 68 0 0 0 999 V2000 0.1407 -0.0120 0.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0844 1.4188 0.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8630 9.0702 -2.1469 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 2.1665 0.0764 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1486 2.0711 0.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1960 3.4500 0.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0244 4.1855 0.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2014 3.5448 0.0595 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0836 5.6912 0.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1184 6.2278 1.4321 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9459 6.1976 -0.8384 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6729 7.3379 -1.5254 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5879 7.9113 -1.4472 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 9.6586 -2.9248 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3744 9.0891 -3.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6545 7.9303 -2.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0653 7.7467 1.4338 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1287 8.2619 2.7957 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5181 8.0775 3.2354 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2693 9.6731 2.8865 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1869 -1.1850 0.0977 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2448 -2.6558 0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1764 -3.2223 0.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1187 -4.6900 0.1172 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4505 -5.2665 0.3416 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3776 -6.7894 0.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3834 -7.3393 1.2353 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0165 -6.6870 1.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1578 -5.1671 1.1199 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1860 10.9226 -3.6874 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1106 12.0319 -2.8883 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 10.9637 -4.8496 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5416 10.9455 -4.0324 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8457 9.5145 -2.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2201 1.6675 0.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0639 1.4980 0.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1497 3.9561 -0.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1124 4.1247 0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0557 6.0119 -0.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6126 5.7726 2.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1243 5.9831 1.7732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3536 7.4522 -0.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1382 9.5507 -3.6127 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6369 7.4860 -2.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6657 8.2019 0.7656 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0712 7.9914 1.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1867 8.6124 2.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6340 8.4674 4.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7647 7.0158 3.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3223 9.7713 2.6223 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1155 10.0292 3.9051 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3345 10.2658 2.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7859 -3.0085 -0.7629 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7589 -2.9885 1.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7175 -2.8696 0.9778 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6906 -2.8895 -0.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7954 -5.0052 1.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1469 -4.8704 -0.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3631 -7.2181 0.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0459 -7.0516 -0.7958 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7349 -7.1109 2.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 -8.4191 1.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 -7.0426 1.7651 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3524 -6.9476 0.0184 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8111 -4.6988 0.9462 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5135 -4.9063 2.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 3 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 3 13 1 0 0 0 0 3 14 2 0 0 0 0 3 34 1 0 0 0 0 4 8 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 39 1 0 0 0 0 10 17 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 16 2 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 24 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 27 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 28 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 28 29 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 M END > (510271) 510271 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 69 71 0 0 0 999 V2000 0.0900 1.3456 0.0696 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8661 8.9934 -2.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2615 2.0886 0.0797 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1376 1.9909 0.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1909 3.3711 0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0219 4.1095 0.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2029 3.4687 0.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0829 5.6151 0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 6.1531 1.4307 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9469 6.1219 -0.8388 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6737 7.2631 -1.5264 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5877 7.8348 -1.4473 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1175 9.5866 -2.9263 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3803 9.0129 -3.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6566 7.8542 -2.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0686 7.6718 1.4309 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1233 8.1884 2.7926 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5125 8.0060 3.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2765 9.5992 2.8817 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1451 -0.0122 0.0869 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1007 -0.7122 0.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8390 -2.2195 0.0975 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1729 -2.9689 0.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9216 -4.4161 0.1064 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1655 -5.1629 0.3333 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8920 -6.6631 0.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8336 -7.0738 1.2322 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5649 -6.2472 1.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9059 -4.7590 1.1099 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2366 11.0647 -3.8175 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3322 11.4218 -4.6554 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8496 9.4359 -2.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2185 1.5886 0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0509 1.4146 0.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1463 3.8739 -0.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1146 4.0476 0.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0550 5.9343 -0.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6143 5.6977 2.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1228 5.9099 1.7732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3521 7.3737 -0.8395 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1457 9.4730 -3.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6382 7.4081 -2.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6626 8.1273 0.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0744 7.9150 1.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1812 8.5411 2.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6269 8.3970 4.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7603 6.9446 3.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3292 9.6959 2.6164 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1242 9.9563 3.9002 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3274 10.1920 2.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6835 -0.4315 0.9524 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6546 -0.4529 -0.8272 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2562 -2.5001 -0.7798 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2852 -2.4787 0.9998 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7557 -2.6882 0.9622 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7267 -2.7097 -0.8174 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5417 -4.9465 1.3331 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9083 -4.8645 -0.4065 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8122 -7.2178 0.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5288 -6.8822 -0.7993 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2119 -6.8909 2.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6041 -8.1329 1.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1776 -6.5047 1.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1651 -6.4597 0.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0075 -4.1673 0.9342 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2927 -4.5446 2.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2293 12.3314 -5.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 11.5586 -3.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5920 10.5899 -5.3101 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 12 1 0 0 0 0 2 13 2 0 0 0 0 2 32 1 0 0 0 0 3 7 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 37 1 0 0 0 0 9 16 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 11 15 1 0 0 0 0 11 12 2 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 24 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 27 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 28 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 28 29 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 30 31 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 31 69 1 0 0 0 0 M END > (510273) 510273 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 68 70 0 0 0 999 V2000 0.0855 1.3458 0.0668 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8617 8.9951 -2.1466 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2579 2.0875 0.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1415 1.9926 0.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1931 3.3729 0.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0233 4.1099 0.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2008 3.4677 0.0593 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0826 5.6156 0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1195 6.1523 1.4316 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9469 6.1219 -0.8388 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6739 7.2622 -1.5259 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5869 7.8357 -1.4476 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1185 9.5840 -2.9237 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3759 9.0145 -3.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6558 7.8551 -2.3063 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0643 7.6712 1.4333 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1297 8.1865 2.7952 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5191 8.0021 3.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2684 9.5976 2.8858 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 -0.0120 0.0829 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1076 -0.7105 0.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8477 -2.2181 0.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1824 -2.9660 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9328 -4.4135 0.1011 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1773 -5.1590 0.3288 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9057 -6.6595 0.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8466 -7.0722 1.2248 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5772 -6.2469 0.9965 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9163 -4.7584 1.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1842 10.8485 -3.6856 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8445 9.4394 -2.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2143 1.5863 0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0554 1.4173 0.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1480 3.8769 -0.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1132 4.0456 0.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0547 5.9362 -0.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6116 5.6971 2.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1254 5.9077 1.7728 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3528 7.3762 -0.8404 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1399 9.4764 -3.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6382 7.4108 -2.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 8.1264 0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0703 7.9158 1.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1877 8.5370 2.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6350 8.3921 4.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7657 6.9404 3.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3213 9.6958 2.6217 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1146 9.9538 3.9044 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3354 10.1903 2.1986 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6892 -0.4299 0.9501 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6622 -0.4499 -0.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2662 -2.4988 -0.7854 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2931 -2.4787 0.9943 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7639 -2.6854 0.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7369 -2.7054 -0.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5522 -4.9431 1.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9206 -4.8592 -0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8263 -7.2132 0.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5439 -6.8782 -0.8058 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2236 -6.8897 2.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6185 -8.1315 1.1068 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1658 -6.5059 1.7508 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1788 -6.4591 0.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0174 -4.1676 0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3018 -4.5443 2.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0468 11.7123 -3.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 10.8811 -4.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2403 10.8665 -3.9547 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 12 1 0 0 0 0 2 13 2 0 0 0 0 2 31 1 0 0 0 0 3 7 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 36 1 0 0 0 0 9 16 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 28 29 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 30 66 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 M END > (510274) 510274 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 69 71 0 0 0 999 V2000 0.0884 1.3456 0.0683 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3782 9.0127 -3.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2602 2.0882 0.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1390 1.9914 0.0355 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1917 3.3717 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0225 4.1096 0.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2022 3.4683 0.0607 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0828 5.6153 0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1178 6.1527 1.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9469 6.1219 -0.8388 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6738 7.2629 -1.5263 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6560 7.8542 -2.3069 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1172 9.5847 -2.9273 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8649 8.9938 -2.1462 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5872 7.8352 -1.4472 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0672 7.6715 1.4318 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1254 8.1875 2.7936 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5148 8.0044 3.2344 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2737 9.5984 2.8833 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1428 -0.0122 0.0851 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1032 -0.7116 0.0735 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8422 -2.2190 0.0953 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1763 -2.9679 0.0829 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9257 -4.4152 0.1038 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1698 -5.1615 0.3309 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8970 -6.6619 0.2019 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8383 -7.0733 1.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5694 -6.2472 1.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9097 -4.7589 1.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1561 10.7255 -3.6151 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4755 11.2594 -3.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1444 9.4756 -3.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2170 1.5877 0.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0526 1.4155 0.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1470 3.8750 -0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1140 4.0469 0.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0549 5.9349 -0.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6134 5.6973 2.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1236 5.9090 1.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 7.4086 -2.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8466 9.4396 -2.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3520 7.3748 -0.8393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 8.1269 0.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 7.9152 1.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1834 8.5395 2.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6296 8.3950 4.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7621 6.9429 3.2246 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3265 9.6957 2.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1209 9.9552 3.9019 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3302 10.1912 2.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6856 -0.4310 0.9511 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6573 -0.4519 -0.8285 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2598 -2.4997 -0.7823 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2881 -2.4788 0.9973 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7587 -2.6873 0.9605 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7304 -2.7081 -0.8191 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5455 -4.9454 1.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9127 -4.8626 -0.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8173 -7.2162 0.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5342 -6.8807 -0.8024 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2162 -6.8907 2.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6093 -8.1325 1.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1733 -6.5053 1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 -6.4596 0.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0111 -4.1675 0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2960 -4.5447 2.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5593 12.1670 -4.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2001 10.5248 -3.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6735 11.4935 -2.4421 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 12 1 0 0 0 0 2 13 2 0 0 0 0 2 32 1 0 0 0 0 3 7 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 37 1 0 0 0 0 9 16 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 11 15 1 0 0 0 0 11 12 2 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 24 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 27 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 28 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 28 29 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 30 31 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 31 69 1 0 0 0 0 M END > (510275) 510275 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 69 71 0 0 0 999 V2000 0.0886 1.3456 0.0687 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8657 8.9943 -2.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2604 2.0883 0.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1388 1.9914 0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1916 3.3717 0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0224 4.1096 0.0329 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2023 3.4684 0.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0828 5.6153 0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1177 6.1529 1.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9469 6.1219 -0.8388 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6739 7.2622 -1.5258 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5874 7.8350 -1.4475 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1106 9.5859 -2.9243 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3739 9.0168 -3.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6555 7.8540 -2.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0673 7.6716 1.4317 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1252 8.1878 2.7934 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1908 9.6553 2.7958 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9316 7.7066 3.6931 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1432 -0.0122 0.0856 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1028 -0.7117 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8417 -2.2191 0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1758 -2.9680 0.0835 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 -4.4153 0.1046 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1691 -5.1617 0.3317 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8962 -6.6620 0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8376 -7.0733 1.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5687 -6.2471 1.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9091 -4.7588 1.1077 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3338 9.5990 -3.7719 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9733 10.7951 -4.4657 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8495 9.4362 -2.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2172 1.5879 0.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0523 1.4154 0.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1469 3.8748 -0.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1141 4.0470 0.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0549 5.9348 -0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6135 5.6975 2.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1236 5.9092 1.7731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3522 7.3746 -0.8396 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1094 10.4917 -3.4698 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6381 7.4099 -2.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6638 8.1270 0.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0732 7.9153 1.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7386 10.0612 2.3964 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3337 10.0110 3.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 9.9827 2.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9124 6.6172 3.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7649 8.1035 4.6945 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9017 8.0419 3.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6853 -0.4310 0.9516 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6569 -0.4520 -0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2593 -2.4997 -0.7816 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2876 -2.4787 0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7582 -2.6874 0.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7299 -2.7084 -0.8185 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5449 -4.9455 1.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9121 -4.8629 -0.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8165 -7.2164 0.3869 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5335 -6.8810 -0.8014 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2155 -6.8906 2.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6085 -8.1325 1.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1739 -6.5051 1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1693 -6.4595 0.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0105 -4.1674 0.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2955 -4.5445 2.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1448 10.5868 -5.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6717 11.5559 -3.7457 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8284 11.1550 -5.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 12 1 0 0 0 0 2 13 2 0 0 0 0 2 32 1 0 0 0 0 3 7 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 37 1 0 0 0 0 9 16 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 11 15 1 0 0 0 0 11 12 2 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 14 15 2 0 0 0 0 14 30 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 24 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 27 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 28 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 28 29 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 30 31 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 31 69 1 0 0 0 0 M END > (510276) 510276 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 65 67 0 0 0 999 V2000 0.0868 1.3458 0.0675 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8630 8.9949 -2.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2589 2.0878 0.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1403 1.9921 0.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1925 3.3724 0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0229 4.1098 0.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2014 3.4680 0.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0827 5.6155 0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1187 6.1525 1.4314 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9469 6.1219 -0.8388 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6738 7.2626 -1.5261 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5870 7.8355 -1.4474 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1183 9.5852 -2.9244 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3772 9.0144 -3.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6559 7.8549 -2.3063 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0656 7.6714 1.4326 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1278 8.1870 2.7945 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5172 8.0032 3.2346 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 9.5980 2.8847 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1407 -0.0121 0.0840 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1056 -0.7110 0.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8452 -2.2185 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1796 -2.9669 0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9295 -4.4143 0.1025 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1739 -5.1602 0.3299 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9017 -6.6606 0.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8428 -7.0727 1.2268 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5737 -6.2470 0.9987 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9133 -4.7586 1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1529 10.7190 -3.6070 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8459 9.4387 -2.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2155 1.5870 0.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0541 1.4165 0.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1475 3.8760 -0.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1136 4.0462 0.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0548 5.9356 -0.3622 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6124 5.6972 2.0995 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1246 5.9083 1.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3524 7.3755 -0.8401 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1416 9.4756 -3.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 7.4099 -2.3684 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6655 8.1266 0.7645 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0715 7.9156 1.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1857 8.5382 2.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6326 8.3935 4.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7641 6.9416 3.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3237 9.6958 2.6202 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1174 9.9545 3.9033 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3331 10.1907 2.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6875 -0.4304 0.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6600 -0.4508 -0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2633 -2.4992 -0.7839 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2908 -2.4787 0.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7615 -2.6862 0.9599 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7340 -2.7067 -0.8197 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5491 -4.9441 1.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9170 -4.8607 -0.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8222 -7.2146 0.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5395 -6.8793 -0.8041 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2202 -6.8901 2.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6143 -8.1320 1.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1692 -6.5056 1.7533 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1748 -6.4593 0.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0145 -4.1675 0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2992 -4.5445 2.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 12 1 0 0 0 0 2 13 2 0 0 0 0 2 31 1 0 0 0 0 3 7 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 36 1 0 0 0 0 9 16 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 28 29 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 M END > (510277) 510277 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 65 67 0 0 0 999 V2000 0.0865 1.3458 0.0677 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3762 9.0136 -3.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2587 2.0878 0.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1406 1.9922 0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1926 3.3726 0.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 4.1099 0.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2013 3.4680 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0826 5.6156 0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1190 6.1526 1.4315 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9469 6.1219 -0.8388 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6739 7.2624 -1.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6557 7.8548 -2.3067 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1178 9.5835 -2.9255 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8628 8.9942 -2.1473 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5871 7.8353 -1.4479 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0652 7.6715 1.4327 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1284 8.1871 2.7945 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5178 8.0032 3.2345 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2700 9.5982 2.8848 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1404 -0.0120 0.0842 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1061 -0.7108 0.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8457 -2.2184 0.0944 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1802 -2.9666 0.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9303 -4.4140 0.1031 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1746 -5.1598 0.3306 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9026 -6.6602 0.2011 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8436 -7.0724 1.2274 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5744 -6.2469 0.9991 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9139 -4.7584 1.1055 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2309 11.0402 -3.8032 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 9.4775 -3.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2153 1.5869 0.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0544 1.4168 0.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1476 3.8763 -0.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1135 4.0461 0.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0547 5.9358 -0.3619 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 5.6974 2.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1249 5.9083 1.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6379 7.4100 -2.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8444 9.4405 -2.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3529 7.3754 -0.8409 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6658 8.1267 0.7645 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0711 7.9158 1.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1864 8.5381 2.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6334 8.3935 4.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7647 6.9416 3.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3229 9.6961 2.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1165 9.9547 3.9033 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3338 10.1909 2.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6878 -0.4301 0.9511 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6605 -0.4506 -0.8286 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 -2.4991 -0.7835 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2913 -2.4786 0.9961 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7620 -2.6859 0.9605 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7347 -2.7064 -0.8191 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5498 -4.9437 1.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9178 -4.8603 -0.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8231 -7.2142 0.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5405 -6.8791 -0.8034 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2209 -6.8898 2.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6152 -8.1317 1.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1685 -6.5055 1.7536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1757 -6.4592 0.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0151 -4.1674 0.9293 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2996 -4.5442 2.1022 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 12 1 0 0 0 0 2 13 2 0 0 0 0 2 31 1 0 0 0 0 3 7 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 36 1 0 0 0 0 9 16 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 28 29 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 M END > (510278) 510278 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 65 67 0 0 0 999 V2000 0.0863 1.3458 0.0673 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 8.9951 -2.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2586 2.0877 0.0768 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1407 1.9922 0.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1927 3.3726 0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0231 4.1098 0.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2012 3.4679 0.0597 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0827 5.6155 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1190 6.1524 1.4315 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9469 6.1219 -0.8388 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6739 7.2622 -1.5259 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5868 7.8355 -1.4475 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1168 9.5847 -2.9236 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3757 9.0151 -3.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6559 7.8550 -2.3063 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0652 7.6713 1.4328 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1284 8.1868 2.7947 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5179 8.0028 3.2347 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2699 9.5979 2.8851 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1401 -0.0121 0.0836 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1064 -0.7108 0.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8461 -2.2184 0.0936 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1806 -2.9666 0.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9307 -4.4140 0.1020 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1751 -5.1597 0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9032 -6.6602 0.1998 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8442 -7.0725 1.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 -6.2470 0.9979 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9144 -4.7585 1.1044 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6032 9.7577 -3.9812 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.8454 9.4389 -2.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2151 1.5868 0.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0546 1.4168 0.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1477 3.8763 -0.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1134 4.0459 0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0547 5.9358 -0.3619 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6121 5.6972 2.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1249 5.9081 1.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3525 7.3758 -0.8402 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1008 10.4909 -3.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6383 7.4107 -2.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6659 8.1265 0.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0710 7.9157 1.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1864 8.5378 2.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6335 8.3930 4.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7647 6.9412 3.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3228 9.6958 2.6207 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1164 9.9542 3.9037 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3339 10.1906 2.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6881 -0.4302 0.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6608 -0.4505 -0.8292 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2643 -2.4990 -0.7844 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2917 -2.4787 0.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7624 -2.6859 0.9596 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7350 -2.7062 -0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5502 -4.9437 1.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9183 -4.8602 -0.4095 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8237 -7.2141 0.3842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5411 -6.8789 -0.8047 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2215 -6.8900 2.2322 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6158 -8.1318 1.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 -6.5057 1.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1762 -6.4592 0.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0156 -4.1676 0.9283 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3001 -4.5444 2.1011 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 12 1 0 0 0 0 2 13 2 0 0 0 0 2 31 1 0 0 0 0 3 7 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 36 1 0 0 0 0 9 16 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 15 2 0 0 0 0 14 30 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 28 29 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 M END > (510279) 510279 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 65 67 0 0 0 999 V2000 0.0866 1.3457 0.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8629 8.9953 -2.1457 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2588 2.0877 0.0768 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1405 1.9920 0.0349 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1926 3.3724 0.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 4.1097 0.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2013 3.4679 0.0597 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0827 5.6154 0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1187 6.1523 1.4314 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9469 6.1219 -0.8388 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6739 7.2624 -1.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5867 7.8356 -1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 9.5852 -2.9238 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3763 9.0148 -3.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6559 7.8547 -2.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0656 7.6712 1.4327 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1278 8.1867 2.7946 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5172 8.0028 3.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2707 9.5977 2.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1405 -0.0121 0.0834 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1059 -0.7110 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8455 -2.2186 0.0933 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1799 -2.9669 0.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9299 -4.4143 0.1015 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1743 -5.1601 0.3288 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9022 -6.6605 0.1992 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8433 -7.0728 1.2255 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5741 -6.2471 0.9975 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9137 -4.7587 1.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2330 11.0419 -3.8010 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 9.7570 -3.9816 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 9.4391 -2.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2154 1.5869 0.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0543 1.4165 0.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1476 3.8760 -0.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1135 4.0460 0.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0548 5.9356 -0.3622 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6124 5.6970 2.0994 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1246 5.9081 1.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3521 7.3759 -0.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6381 7.4099 -2.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6655 8.1265 0.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0715 7.9155 1.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1858 8.5378 2.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6326 8.3930 4.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7641 6.9412 3.2246 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3236 9.6956 2.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1174 9.9541 3.9036 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3331 10.1905 2.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6878 -0.4305 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6602 -0.4507 -0.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 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11 1 0 0 0 0 11 15 1 0 0 0 0 11 12 2 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 28 29 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 M END > (510280) 510280 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 65 67 0 0 0 999 V2000 0.0860 1.3458 0.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8624 8.9947 -2.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2582 2.0876 0.0764 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1411 1.9924 0.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1929 3.3727 0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0232 4.1099 0.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2010 3.4678 0.0595 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0826 5.6156 0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1192 6.1523 1.4315 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9469 6.1219 -0.8388 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6739 7.2624 -1.5259 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5870 7.8356 -1.4475 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1182 9.5839 -2.9247 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3762 9.0139 -3.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6557 7.8548 -2.3067 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0648 7.6712 1.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1289 8.1866 2.7950 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5184 8.0024 3.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2693 9.5977 2.8855 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1396 -0.0121 0.0831 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1069 -0.7107 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8468 -2.2183 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1814 -2.9663 0.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9316 -4.4138 0.1013 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1761 -5.1594 0.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9043 -6.6599 0.1991 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8453 -7.0724 1.2252 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5760 -6.2470 0.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9153 -4.7585 1.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2619 11.1703 -3.8812 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.8452 9.4388 -2.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2147 1.5866 0.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0550 1.4170 0.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1479 3.8765 -0.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1133 4.0458 0.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0547 5.9360 -0.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6119 5.6971 2.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1251 5.9078 1.7728 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3526 7.3761 -0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1402 9.4752 -3.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6381 7.4103 -2.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6662 8.1264 0.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0707 7.9157 1.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1869 8.5374 2.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6341 8.3925 4.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7651 6.9407 3.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3222 9.6957 2.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1157 9.9539 3.9041 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3345 10.1904 2.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6886 -0.4301 0.9501 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6614 -0.4502 -0.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2651 -2.4989 -0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2923 -2.4788 0.9946 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7631 -2.6857 0.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7359 -2.7059 -0.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5511 -4.9435 1.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9193 -4.8597 -0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8248 -7.2137 0.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5423 -6.8786 -0.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2225 -6.8899 2.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6170 -8.1317 1.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 -6.5058 1.7513 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1773 -6.4592 0.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0164 -4.1676 0.9275 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3009 -4.5444 2.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 12 1 0 0 0 0 2 13 2 0 0 0 0 2 31 1 0 0 0 0 3 7 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 36 1 0 0 0 0 9 16 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 28 29 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 M END > (510281) 510281 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 65 67 0 0 0 999 V2000 0.0862 1.3458 0.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8623 8.9952 -2.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2584 2.0877 0.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1409 1.9923 0.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1928 3.3727 0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0231 4.1099 0.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2012 3.4678 0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0826 5.6155 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1191 6.1524 1.4315 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9469 6.1219 -0.8388 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6739 7.2622 -1.5259 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5868 7.8355 -1.4475 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1172 9.5846 -2.9235 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3758 9.0150 -3.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6559 7.8550 -2.3063 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0650 7.6713 1.4329 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1287 8.1867 2.7948 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5181 8.0027 3.2347 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2696 9.5978 2.8852 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1399 -0.0120 0.0834 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1066 -0.7108 0.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8464 -2.2183 0.0934 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1810 -2.9665 0.0815 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9311 -4.4139 0.1018 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1756 -5.1596 0.3293 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9037 -6.6600 0.1997 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8447 -7.0725 1.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5754 -6.2470 0.9976 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9148 -4.7585 1.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7130 9.8238 -4.0683 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.8452 9.4391 -2.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2149 1.5867 0.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0548 1.4169 0.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1478 3.8764 -0.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1134 4.0459 0.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0547 5.9359 -0.3619 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 5.6972 2.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 5.9080 1.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3526 7.3759 -0.8402 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1002 10.4908 -3.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6383 7.4107 -2.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6661 8.1265 0.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0709 7.9157 1.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1867 8.5376 2.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6338 8.3928 4.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7649 6.9410 3.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3225 9.6958 2.6209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 9.9541 3.9038 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3342 10.1905 2.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6883 -0.4301 0.9503 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6611 -0.4504 -0.8293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2647 -2.4990 -0.7846 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2920 -2.4787 0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7627 -2.6858 0.9596 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7354 -2.7061 -0.8201 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5506 -4.9436 1.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9188 -4.8600 -0.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8242 -7.2139 0.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5416 -6.8788 -0.8049 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2219 -6.8899 2.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6164 -8.1317 1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1675 -6.5057 1.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1767 -6.4592 0.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 -4.1676 0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3005 -4.5444 2.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 12 1 0 0 0 0 2 13 2 0 0 0 0 2 31 1 0 0 0 0 3 7 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 36 1 0 0 0 0 9 16 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 15 2 0 0 0 0 14 30 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 28 29 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 M END > (510282) 510282 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 67 69 0 0 0 999 V2000 0.0856 1.3459 0.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3757 9.0140 -3.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2579 2.0876 0.0763 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1414 1.9926 0.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1931 3.3729 0.0184 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0233 4.1099 0.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2009 3.4677 0.0594 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0826 5.6156 0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1195 6.1524 1.4316 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9469 6.1219 -0.8388 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6739 7.2622 -1.5259 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6556 7.8549 -2.3067 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1182 9.5835 -2.9245 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8619 8.9948 -2.1469 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5869 7.8357 -1.4476 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0644 7.6713 1.4332 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1296 8.1866 2.7951 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5191 8.0023 3.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2684 9.5977 2.8857 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 -0.0120 0.0831 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1075 -0.7105 0.0721 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8476 -2.2181 0.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1823 -2.9660 0.0813 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9327 -4.4135 0.1015 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1772 -5.1590 0.3292 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9055 -6.6595 0.1993 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8464 -7.0722 1.2252 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5771 -6.2469 0.9969 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9162 -4.7584 1.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1789 10.8256 -3.6724 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6839 11.3453 -4.3573 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2862 11.3282 -3.6030 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1409 9.4781 -3.6086 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2144 1.5864 0.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0554 1.4173 0.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1480 3.8769 -0.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1132 4.0456 0.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0547 5.9362 -0.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6115 5.6972 2.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1254 5.9078 1.7728 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6379 7.4102 -2.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8433 9.4416 -2.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3529 7.3760 -0.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 8.1264 0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0703 7.9159 1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1877 8.5371 2.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6350 8.3923 4.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7657 6.9406 3.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3213 9.6959 2.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1146 9.9539 3.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3354 10.1904 2.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6891 -0.4298 0.9503 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6621 -0.4500 -0.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2661 -2.4988 -0.7851 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 -2.4787 0.9946 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7638 -2.6854 0.9595 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7368 -2.7055 -0.8202 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5520 -4.9431 1.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9204 -4.8592 -0.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8261 -7.2133 0.3837 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5437 -6.8782 -0.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2235 -6.8897 2.2315 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6183 -8.1315 1.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 -6.5058 1.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1786 -6.4591 0.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0173 -4.1676 0.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3017 -4.5443 2.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 13 2 0 0 0 0 2 12 1 0 0 0 0 2 33 1 0 0 0 0 3 7 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 38 1 0 0 0 0 9 16 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 11 15 1 0 0 0 0 11 12 2 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 23 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 24 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 27 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 27 28 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 28 29 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 M CHG 2 30 1 32 -1 M END > (510283) 510283 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 66 68 0 0 0 999 V2000 -0.2495 1.1964 -0.3912 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8538 -3.6535 -3.1193 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1200 -0.1703 -0.1913 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8832 1.9844 -0.5352 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1368 1.4067 -0.4791 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2632 0.0443 -0.2802 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1358 -0.7432 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6319 -0.5835 -0.2204 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0246 -0.8124 1.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6126 -1.8349 -0.9101 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7237 -2.1668 -1.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7287 -3.3130 -2.4016 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9915 -2.8442 -3.0568 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9823 -1.6926 -2.2651 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8529 -1.3595 -1.5505 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4617 -1.3333 1.3067 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8388 -1.5531 2.7093 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1164 -2.2718 2.8046 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8933 -0.2827 3.4451 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4839 1.7615 -0.4516 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5413 3.1741 -0.6597 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0029 3.6249 -0.6989 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0643 5.1374 -0.9217 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4675 5.5702 -0.9593 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5673 7.0350 -0.9337 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0280 7.4515 -1.1204 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8743 6.8439 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7147 5.3212 -0.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2341 4.9664 0.1381 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1637 -3.1946 -3.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0936 -3.4725 -4.3913 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8584 -4.5469 -3.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0003 -0.7858 -0.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 3.0485 -0.6913 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0189 2.0197 -0.5911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2371 -1.8072 0.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3568 0.0801 -0.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9534 0.1277 1.7875 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3519 -1.5445 1.6872 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8489 -3.9376 -2.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8595 -1.0646 -2.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8448 -0.4695 -0.9388 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5330 -2.2734 0.7597 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1345 -0.6012 0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8988 -1.6880 2.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3719 -2.4213 3.8536 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0265 -3.2395 2.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9142 0.1956 3.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1747 -0.4744 4.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6314 0.3731 2.9834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 3.6826 0.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0592 3.4219 -1.6054 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5182 3.1164 -1.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4850 3.3771 0.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5489 5.6459 -0.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5821 5.3852 -1.8674 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2031 7.4071 0.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9643 7.4543 -1.7391 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1039 8.5383 -1.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3888 7.0916 -2.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5390 7.2338 0.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9221 7.1022 -0.1516 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2811 4.8859 0.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0863 4.9277 -0.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1154 3.8833 0.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8668 5.3482 1.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 20 1 0 0 0 0 2 12 1 0 0 0 0 2 13 2 0 0 0 0 2 32 1 0 0 0 0 3 7 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 37 1 0 0 0 0 9 16 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 24 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 27 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 28 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 28 29 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 30 31 3 0 0 0 0 M END > (510284) 510284 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 63 66 0 0 0 999 V2000 -0.0167 1.3829 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2141 -0.6751 -0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1715 2.0842 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 1.4114 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 0.0323 -0.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6979 -0.7418 -0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8177 0.1152 0.3535 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8311 1.3470 -0.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6547 2.2223 -0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5097 3.3761 -0.9762 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6295 4.6735 -0.5176 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5016 5.7352 -1.4017 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2537 5.4905 -2.7444 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1347 4.1909 -3.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 3.1349 -2.3152 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0954 -0.6009 0.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1639 -0.7021 0.0119 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3744 0.0572 0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5729 -0.8939 0.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8689 -0.0810 0.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0196 -0.9941 0.0672 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2681 -0.2649 0.3238 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4211 -1.2606 0.4702 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5440 -2.0842 -0.8148 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2150 -2.7951 -1.0851 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0970 -1.7549 -1.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5604 -3.0339 -0.6660 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6187 7.0125 -0.9529 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4755 8.0554 -1.9193 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9582 1.9121 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2303 -1.7550 -0.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1572 3.1641 0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6251 -1.5846 0.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8748 -1.1153 -1.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7661 1.8823 -0.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7313 1.0956 -1.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8402 2.6078 0.9849 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8222 4.8613 0.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1537 6.3152 -3.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9416 4.0000 -4.2434 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1695 2.1197 -2.6719 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2148 -0.9738 -0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9145 0.0782 0.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1049 -1.4385 0.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3987 0.6808 0.9238 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4196 0.6903 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5485 -1.5175 -0.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5277 -1.5270 0.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8932 0.5426 0.9523 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9141 0.5521 -0.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1688 0.3133 1.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4731 0.4083 -0.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2233 -1.9254 1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3503 -0.7183 0.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7803 -1.4241 -1.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9982 -3.4840 -0.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2825 -3.3491 -2.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3075 -1.0747 -2.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1471 -2.2589 -1.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5909 9.0226 -1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2389 7.9445 -2.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 7.9947 -2.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 1 31 1 0 0 0 0 2 18 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 17 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 29 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 25 56 1 0 0 0 0 26 27 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 29 30 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 M END > (510285) 510285 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 66 69 0 0 0 999 V2000 -0.0166 1.3755 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 2.0806 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3814 1.3941 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2072 -0.6901 -0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3967 0.0081 -0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7298 -0.6931 -0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5721 -2.0907 -0.4410 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5422 -2.7516 0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -2.1971 -0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1326 -2.6836 0.9486 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2333 -2.3567 2.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 -2.7967 3.1817 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7871 -3.5673 2.7338 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8859 -3.8940 1.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -3.4515 0.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8499 -2.8109 -0.3612 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 3.4395 0.0068 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1099 4.0788 0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0794 5.5971 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2889 6.2816 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1071 7.7393 0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3838 8.4294 -0.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1354 9.9334 -0.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 10.4528 0.9605 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1677 9.6844 1.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4731 8.1876 1.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1907 11.8163 0.8208 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.7299 -4.0018 3.6108 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5641 -3.6272 4.9799 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7134 -4.2038 5.8092 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.9046 0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3122 1.9417 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9278 -0.5533 0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3987 -0.1851 -0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1600 -0.6613 0.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5678 -3.8267 0.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7253 -2.5474 1.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9229 -2.5449 -1.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0613 -1.7571 2.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6447 -2.5414 4.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7124 -4.4941 1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0025 -3.7055 -0.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2498 -2.7304 0.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6910 -3.8610 -0.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5570 -2.3758 -1.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6726 3.7850 -0.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6569 3.7788 0.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 5.8910 0.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6263 5.8972 -0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8516 5.9877 -0.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8358 5.9815 0.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8439 8.0538 -1.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0492 8.2455 0.6611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4811 10.1191 -1.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0849 10.4469 -0.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1412 10.3025 1.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5176 9.8662 0.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2887 10.0201 2.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1475 8.0048 2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4545 7.6364 1.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6166 -4.0177 5.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5664 -2.5403 5.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6609 -3.8134 5.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7111 -5.2907 5.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5869 -3.9181 6.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 2 0 0 0 0 1 32 1 0 0 0 0 2 18 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 17 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 16 2 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 M END > (510286) 510286 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 63 66 0 0 0 999 V2000 -0.0166 1.3755 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 2.0806 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3814 1.3941 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2072 -0.6901 -0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3967 0.0081 -0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7298 -0.6931 -0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5721 -2.0907 -0.4410 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5422 -2.7516 0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -2.1971 -0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1326 -2.6836 0.9486 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2334 -2.3567 2.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7246 -2.7976 3.1821 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7881 -3.5686 2.7333 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8863 -3.8943 1.3886 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9261 -3.4515 0.4995 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8499 -2.8109 -0.3612 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 3.4395 0.0068 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1099 4.0788 0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0794 5.5971 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2889 6.2816 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1071 7.7393 0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3838 8.4294 -0.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1354 9.9334 -0.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 10.4528 0.9605 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1677 9.6844 1.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4731 8.1876 1.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1907 11.8163 0.8208 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.7319 -4.0027 3.6097 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7983 -4.7909 3.0771 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5973 -2.3879 4.8643 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.9046 0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3122 1.9417 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9278 -0.5533 0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3987 -0.1851 -0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1600 -0.6613 0.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5678 -3.8267 0.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7253 -2.5474 1.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9229 -2.5449 -1.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0612 -1.7568 2.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7128 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0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 29 30 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 M END > (510287) 510287 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 59 62 0 0 0 999 V2000 -0.0167 1.3829 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2141 -0.6751 -0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1715 2.0842 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 1.4114 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 0.0323 -0.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6979 -0.7418 -0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8177 0.1152 0.3535 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8311 1.3470 -0.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6547 2.2223 -0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5097 3.3761 -0.9762 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2570 3.1354 -2.3138 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1183 4.1933 -3.1924 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2324 5.4933 -2.7329 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4853 5.7335 -1.3941 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6239 4.6748 -0.5165 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0954 -0.6009 0.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1639 -0.7021 0.0119 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3744 0.0572 0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5729 -0.8939 0.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8689 -0.0810 0.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0196 -0.9941 0.0672 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2681 -0.2649 0.3238 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4211 -1.2606 0.4702 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5440 -2.0842 -0.8148 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2150 -2.7951 -1.0851 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0970 -1.7549 -1.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5604 -3.0339 -0.6660 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0589 6.8226 -3.8360 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9582 1.9121 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2303 -1.7550 -0.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1572 3.1641 0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6251 -1.5846 0.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8748 -1.1153 -1.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7661 1.8823 -0.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7313 1.0956 -1.5074 H 0 0 0 0 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0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 M END > (510288) 510288 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 59 62 0 0 0 999 V2000 -0.0167 1.3829 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2141 -0.6751 -0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1715 2.0842 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 1.4114 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 0.0323 -0.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6979 -0.7418 -0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8177 0.1152 0.3535 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8311 1.3470 -0.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6547 2.2223 -0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5097 3.3761 -0.9762 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2570 3.1357 -2.3134 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1183 4.1953 -3.1924 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2326 5.4947 -2.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4854 5.7339 -1.3941 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6239 4.6751 -0.5166 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0954 -0.6009 0.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1639 -0.7021 0.0119 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3744 0.0572 0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5729 -0.8939 0.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8689 -0.0810 0.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0196 -0.9941 0.0672 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2681 -0.2649 0.3238 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4211 -1.2606 0.4702 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5440 -2.0842 -0.8148 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2150 -2.7951 -1.0851 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0970 -1.7549 -1.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5604 -3.0339 -0.6660 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8014 3.8941 -4.8724 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9582 1.9121 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2303 -1.7550 -0.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1572 3.1641 0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6251 -1.5846 0.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8748 -1.1153 -1.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7661 1.8823 -0.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7313 1.0956 -1.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8402 2.6078 0.9849 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1682 2.1210 -2.6723 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1248 6.3222 -3.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5751 6.7484 -1.0346 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8210 4.8625 0.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2148 -0.9738 -0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9145 0.0782 0.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1049 -1.4385 0.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3987 0.6808 0.9238 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4196 0.6903 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5485 -1.5175 -0.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5277 -1.5270 0.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8932 0.5426 0.9523 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9141 0.5521 -0.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1688 0.3133 1.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4731 0.4083 -0.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2233 -1.9254 1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3503 -0.7183 0.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7803 -1.4241 -1.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9982 -3.4840 -0.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2825 -3.3491 -2.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3075 -1.0747 -2.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1471 -2.2589 -1.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 1 30 1 0 0 0 0 2 18 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 17 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 M END > (510289) 510289 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 59 62 0 0 0 999 V2000 -0.0167 1.3829 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2141 -0.6751 -0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1715 2.0842 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 1.4114 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 0.0323 -0.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6979 -0.7418 -0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8177 0.1152 0.3535 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8311 1.3470 -0.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6547 2.2223 -0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5097 3.3761 -0.9762 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6296 4.6757 -0.5177 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5020 5.7344 -1.3995 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2550 5.4929 -2.7375 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1353 4.1937 -3.1952 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2626 3.1358 -2.3149 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0954 -0.6009 0.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1639 -0.7021 0.0119 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3744 0.0572 0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5729 -0.8939 0.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8689 -0.0810 0.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0196 -0.9941 0.0672 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2681 -0.2649 0.3238 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4211 -1.2606 0.4702 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5440 -2.0842 -0.8148 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2150 -2.7951 -1.0851 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0970 -1.7549 -1.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5604 -3.0339 -0.6660 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9393 4.9783 1.1635 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9582 1.9121 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2303 -1.7550 -0.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1572 3.1641 0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6251 -1.5846 0.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8748 -1.1153 -1.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7661 1.8823 -0.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7313 1.0956 -1.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8402 2.6078 0.9849 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5952 6.7493 -1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1551 6.3192 -3.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9423 4.0055 -4.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1694 2.1212 -2.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2148 -0.9738 -0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9145 0.0782 0.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1049 -1.4385 0.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3987 0.6808 0.9238 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4196 0.6903 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5485 -1.5175 -0.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5277 -1.5270 0.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8932 0.5426 0.9523 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9141 0.5521 -0.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1688 0.3133 1.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4731 0.4083 -0.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2233 -1.9254 1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3503 -0.7183 0.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7803 -1.4241 -1.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9982 -3.4840 -0.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2825 -3.3491 -2.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3075 -1.0747 -2.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1471 -2.2589 -1.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 1 30 1 0 0 0 0 2 18 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 17 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 M END > (510290) 510290 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 59 62 0 0 0 999 V2000 -0.0167 1.3829 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2141 -0.6751 -0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1715 2.0842 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 1.4114 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 0.0323 -0.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6979 -0.7418 -0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8177 0.1152 0.3535 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8311 1.3470 -0.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6547 2.2223 -0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5097 3.3761 -0.9762 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2571 3.1354 -2.3134 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1183 4.1944 -3.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2326 5.4950 -2.7322 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4855 5.7341 -1.3933 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6239 4.6750 -0.5163 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0954 -0.6009 0.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1639 -0.7021 0.0119 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3744 0.0572 0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5729 -0.8939 0.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8689 -0.0810 0.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0196 -0.9941 0.0672 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2681 -0.2649 0.3238 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4211 -1.2606 0.4702 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5440 -2.0842 -0.8148 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2150 -2.7951 -1.0851 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0970 -1.7549 -1.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5604 -3.0339 -0.6660 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8015 3.8926 -4.8727 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0592 6.8250 -3.8344 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9582 1.9121 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2303 -1.7550 -0.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1572 3.1641 0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6251 -1.5846 0.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8748 -1.1153 -1.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7661 1.8823 -0.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7313 1.0956 -1.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8402 2.6078 0.9849 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1683 2.1205 -2.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5752 6.7485 -1.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8214 4.8621 0.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2148 -0.9738 -0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9145 0.0782 0.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1049 -1.4385 0.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3987 0.6808 0.9238 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4196 0.6903 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5485 -1.5175 -0.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5277 -1.5270 0.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8932 0.5426 0.9523 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9141 0.5521 -0.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1688 0.3133 1.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4731 0.4083 -0.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2233 -1.9254 1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3503 -0.7183 0.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7803 -1.4241 -1.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9982 -3.4840 -0.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2825 -3.3491 -2.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3075 -1.0747 -2.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1471 -2.2589 -1.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 1 31 1 0 0 0 0 2 18 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 17 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 29 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 M END > (510291) 510291 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 59 62 0 0 0 999 V2000 -0.0167 1.3829 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2141 -0.6751 -0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1715 2.0842 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 1.4114 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 0.0323 -0.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6979 -0.7418 -0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8177 0.1152 0.3535 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8311 1.3470 -0.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6547 2.2223 -0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5097 3.3761 -0.9762 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6296 4.6757 -0.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5022 5.7349 -1.3987 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2556 5.4945 -2.7369 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1362 4.1946 -3.1958 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2626 3.1357 -2.3147 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0954 -0.6009 0.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1639 -0.7021 0.0119 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3744 0.0572 0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5729 -0.8939 0.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8689 -0.0810 0.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0196 -0.9941 0.0672 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2681 -0.2649 0.3238 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4211 -1.2606 0.4702 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5440 -2.0842 -0.8148 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2150 -2.7951 -1.0851 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0970 -1.7549 -1.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5604 -3.0339 -0.6660 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9394 4.9777 1.1637 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8264 3.8926 -4.8770 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9582 1.9121 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2303 -1.7550 -0.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1572 3.1641 0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6251 -1.5846 0.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8748 -1.1153 -1.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7661 1.8823 -0.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7313 1.0956 -1.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8402 2.6078 0.9849 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5951 6.7495 -1.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1566 6.3212 -3.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1697 2.1210 -2.6729 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2148 -0.9738 -0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9145 0.0782 0.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1049 -1.4385 0.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3987 0.6808 0.9238 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4196 0.6903 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5485 -1.5175 -0.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5277 -1.5270 0.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8932 0.5426 0.9523 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9141 0.5521 -0.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1688 0.3133 1.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4731 0.4083 -0.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2233 -1.9254 1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3503 -0.7183 0.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7803 -1.4241 -1.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9982 -3.4840 -0.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2825 -3.3491 -2.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3075 -1.0747 -2.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1471 -2.2589 -1.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 1 31 1 0 0 0 0 2 18 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 17 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 30 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 M END > (510292) 510292 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 59 62 0 0 0 999 V2000 -0.0167 1.3829 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2141 -0.6751 -0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1715 2.0842 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 1.4114 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 0.0323 -0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6979 -0.7417 -0.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8177 0.1145 0.3526 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8312 1.3477 -0.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6547 2.2223 -0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5097 3.3772 -0.9731 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2569 3.1385 -2.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1183 4.1980 -3.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2321 5.4963 -2.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4840 5.7350 -1.3889 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6239 4.6754 -0.5122 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0954 -0.6015 0.2391 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1639 -0.7021 0.0123 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3744 0.0572 0.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5729 -0.8939 0.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8689 -0.0810 0.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0196 -0.9941 0.0692 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2680 -0.2649 0.3262 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4209 -1.2606 0.4729 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5442 -2.0842 -0.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2154 -2.7951 -1.0828 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0974 -1.7549 -1.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5606 -3.0339 -0.6629 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9582 1.9121 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2303 -1.7550 -0.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1572 3.1641 0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6252 -1.5857 0.6353 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8746 -1.1134 -1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7662 1.8828 -0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7316 1.0981 -1.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8403 2.6066 0.9871 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1681 2.1242 -2.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9215 4.0115 -4.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1245 6.3240 -3.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5735 6.7493 -1.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8207 4.8620 0.5332 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2147 -0.9727 -0.7788 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9146 0.0772 0.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1050 -1.4402 0.9352 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3984 0.6808 0.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4199 0.6903 -0.8552 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5488 -1.5175 -0.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5274 -1.5270 0.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8929 0.5426 0.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9144 0.5521 -0.8259 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1684 0.3133 1.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4733 0.4083 -0.5061 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2228 -1.9254 1.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3501 -0.7183 0.6481 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7808 -1.4241 -1.6465 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9983 -3.4841 -0.2665 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2832 -3.3491 -2.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3082 -1.0747 -2.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1476 -2.2589 -1.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 1 29 1 0 0 0 0 2 18 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 17 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 M END > (510293) 510293 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 62 65 0 0 0 999 V2000 -0.0166 1.3755 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 2.0806 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3814 1.3941 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2072 -0.6901 -0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3967 0.0081 -0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7298 -0.6931 -0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5721 -2.0907 -0.4410 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5422 -2.7516 0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -2.1971 -0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1326 -2.6836 0.9486 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2322 -2.3575 2.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7270 -2.7991 3.1803 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7861 -3.5665 2.7326 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8860 -3.8922 1.3929 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9263 -3.4514 0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8499 -2.8109 -0.3612 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 3.4395 0.0068 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1099 4.0788 0.0204 C 0 0 0 0 0 0 0 0 0 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1 0 0 0 0 26 60 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 M END > (510294) 510294 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 62 65 0 0 0 999 V2000 -0.0166 1.3755 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 2.0806 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3814 1.3941 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2072 -0.6901 -0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3967 0.0081 -0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7298 -0.6931 -0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5721 -2.0907 -0.4410 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5422 -2.7516 0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -2.1971 -0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1326 -2.6836 0.9486 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 -3.4560 0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8763 -3.9071 1.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7736 -3.5857 2.7364 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7174 -2.8135 3.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2352 -2.3622 2.2894 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8499 -2.8109 -0.3612 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 3.4395 0.0068 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1099 4.0788 0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0794 5.5971 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2889 6.2816 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1071 7.7393 0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3838 8.4294 -0.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1354 9.9334 -0.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 10.4528 0.9605 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1677 9.6844 1.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4731 8.1876 1.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1907 11.8163 0.8208 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.0275 -4.7488 0.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6731 -6.1010 0.9652 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.1447 -4.5255 1.7209 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.3335 -4.4014 -0.4112 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.9046 0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3122 1.9417 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9278 -0.5533 0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3987 -0.1851 -0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1600 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0 0 0 0 0 0 0 -2.1412 10.3025 1.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5176 9.8662 0.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2887 10.0201 2.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1475 8.0048 2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4545 7.6364 1.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 2 0 0 0 0 1 33 1 0 0 0 0 2 18 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 17 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 13 29 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 15 16 2 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 25 58 1 0 0 0 0 26 27 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 M END > (510295) 510295 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 63 66 0 0 0 999 V2000 -0.0167 1.3829 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2141 -0.6751 -0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1715 2.0842 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 1.4114 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 0.0323 -0.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6979 -0.7418 -0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8177 0.1152 0.3535 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8311 1.3470 -0.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6547 2.2223 -0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5097 3.3761 -0.9762 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2569 3.1337 -2.3141 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1178 4.1885 -3.1943 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2322 5.4949 -2.7343 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4863 5.7346 -1.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6242 4.6749 -0.5148 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0954 -0.6009 0.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1639 -0.7021 0.0119 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3744 0.0572 0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5729 -0.8939 0.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8689 -0.0810 0.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0196 -0.9941 0.0672 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2681 -0.2649 0.3238 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4211 -1.2606 0.4702 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5440 -2.0842 -0.8148 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2150 -2.7951 -1.0851 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0970 -1.7549 -1.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5604 -3.0339 -0.6660 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0560 6.8441 -3.8538 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7441 6.0203 -5.4396 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9582 1.9121 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2303 -1.7550 -0.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1572 3.1641 0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6251 -1.5846 0.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8748 -1.1153 -1.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7661 1.8823 -0.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7313 1.0956 -1.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8402 2.6078 0.9849 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1685 2.1182 -2.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9208 3.9985 -4.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5761 6.7486 -1.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8213 4.8604 0.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2148 -0.9738 -0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9145 0.0782 0.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1049 -1.4385 0.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3987 0.6808 0.9238 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4196 0.6903 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5485 -1.5175 -0.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5277 -1.5270 0.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8932 0.5426 0.9523 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9141 0.5521 -0.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1688 0.3133 1.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4731 0.4083 -0.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2233 -1.9254 1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3503 -0.7183 0.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7803 -1.4241 -1.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9982 -3.4840 -0.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2825 -3.3491 -2.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3075 -1.0747 -2.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1471 -2.2589 -1.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6170 6.7707 -6.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5889 5.3778 -5.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8391 5.4176 -5.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 1 31 1 0 0 0 0 2 18 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 17 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 25 56 1 0 0 0 0 26 27 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 29 30 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 M END > (510296) 510296 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 60 63 0 0 0 999 V2000 -0.0167 1.3829 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2141 -0.6751 -0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1715 2.0842 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 1.4114 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 0.0323 -0.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6979 -0.7418 -0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8177 0.1152 0.3535 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8311 1.3470 -0.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6547 2.2223 -0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5097 3.3761 -0.9762 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2568 3.1319 -2.3144 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1173 4.1835 -3.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 5.4966 -2.7357 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4873 5.7358 -1.3839 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6245 4.6748 -0.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0954 -0.6009 0.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1639 -0.7021 0.0119 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3744 0.0572 0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5729 -0.8939 0.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8689 -0.0810 0.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0196 -0.9941 0.0672 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2681 -0.2649 0.3238 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4211 -1.2606 0.4702 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5440 -2.0842 -0.8148 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2150 -2.7951 -1.0851 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0970 -1.7549 -1.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5604 -3.0339 -0.6660 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0888 6.5931 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0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 25 56 1 0 0 0 0 26 27 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 29 30 3 0 0 0 0 M END > (510297) 510297 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 62 65 0 0 0 999 V2000 -0.0167 1.3829 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2141 -0.6751 -0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1715 2.0842 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 1.4114 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 0.0323 -0.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6979 -0.7418 -0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8177 0.1152 0.3535 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8311 1.3470 -0.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6547 2.2223 -0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5097 3.3761 -0.9762 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2570 3.1358 -2.3138 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1184 4.1942 -3.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2321 5.4930 -2.7326 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4839 5.7334 -1.3948 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6238 4.6749 -0.5168 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0954 -0.6009 0.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1639 -0.7021 0.0119 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3744 0.0572 0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5729 -0.8939 0.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8689 -0.0810 0.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0196 -0.9941 0.0672 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2681 -0.2649 0.3238 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4211 -1.2606 0.4702 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5440 -2.0842 -0.8148 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2150 -2.7951 -1.0851 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0970 -1.7549 -1.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5604 -3.0339 -0.6660 F 0 0 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0.9523 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9141 0.5521 -0.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1688 0.3133 1.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4731 0.4083 -0.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2233 -1.9254 1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3503 -0.7183 0.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7803 -1.4241 -1.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9982 -3.4840 -0.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2825 -3.3491 -2.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3075 -1.0747 -2.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1471 -2.2589 -1.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0354 6.9478 -3.7354 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6868 7.4859 -3.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4154 6.3416 -4.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 1 30 1 0 0 0 0 2 18 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 17 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 M END > (510298) 510298 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 63 66 0 0 0 999 V2000 -0.0166 1.3755 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 2.0806 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3814 1.3941 -0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2072 -0.6901 -0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3967 0.0081 -0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7298 -0.6931 -0.0264 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5720 -2.0908 -0.4407 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5421 -2.7513 0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1749 -2.1971 -0.0243 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1327 -2.6827 0.9499 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2342 -2.3541 2.2895 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7219 -2.7925 3.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7873 -3.5648 2.7368 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8860 -3.8930 1.3899 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9261 -3.4511 0.5012 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 -2.8111 -0.3606 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 3.4395 0.0068 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1099 4.0788 0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0794 5.5971 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2889 6.2816 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1071 7.7393 0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3838 8.4294 -0.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1354 9.9334 -0.3174 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4707 10.4528 0.9605 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1676 9.6844 1.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4731 8.1876 1.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1907 11.8163 0.8209 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.0095 -4.1270 3.8747 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.1482 -5.0657 2.8197 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4577 -6.1179 2.2089 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.1887 -5.5813 3.5998 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.6763 -4.2216 1.8369 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.9046 0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3122 1.9417 -0.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9278 -0.5533 0.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3984 -0.1852 -0.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1604 -0.6610 0.9744 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5678 -3.8265 0.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 -2.5466 1.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9227 -2.5459 -1.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0626 -1.7542 2.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6418 -2.5358 4.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7124 -4.4933 1.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0024 -3.7055 -0.5456 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2497 -2.7303 0.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6909 -3.8612 -0.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5569 -2.3762 -1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6726 3.7850 -0.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6569 3.7788 0.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6421 5.8909 0.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6263 5.8972 -0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8516 5.9878 -0.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8358 5.9815 0.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8439 8.0538 -1.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0492 8.2455 0.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4811 10.1191 -1.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0849 10.4470 -0.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1411 10.3024 1.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5176 9.8662 0.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2887 10.0201 2.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1474 8.0048 2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4545 7.6364 1.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 2 0 0 0 0 1 34 1 0 0 0 0 2 18 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 35 1 0 0 0 0 4 5 2 0 0 0 0 4 36 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 17 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 13 14 2 0 0 0 0 13 43 1 0 0 0 0 14 29 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 22 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 25 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 25 59 1 0 0 0 0 26 27 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 M END > (510299) 510299 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 65 68 0 0 0 999 V2000 -0.0166 1.3755 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 2.0806 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3814 1.3941 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2072 -0.6901 -0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3967 0.0081 -0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7298 -0.6931 -0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5721 -2.0907 -0.4410 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5422 -2.7516 0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -2.1971 -0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1326 -2.6836 0.9486 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2322 -2.3575 2.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7270 -2.7991 3.1803 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7861 -3.5665 2.7326 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8860 -3.8922 1.3929 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9263 -3.4514 0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8499 -2.8109 -0.3612 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 3.4395 0.0068 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1099 4.0788 0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0794 5.5971 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2889 6.2816 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1071 7.7393 0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3838 8.4294 -0.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1354 9.9334 -0.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 10.4528 0.9605 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1677 9.6844 1.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4731 8.1876 1.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1907 11.8163 0.8208 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.0085 -4.1298 3.8698 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.2592 -2.8159 3.8776 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5277 -5.3090 3.2704 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3300 -4.1799 5.1173 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.9046 0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3122 1.9417 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9278 -0.5533 0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3987 -0.1851 -0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1600 -0.6613 0.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5678 -3.8267 0.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7253 -2.5474 1.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9229 -2.5449 -1.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0596 -1.7580 2.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6488 -2.5449 4.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7134 -4.4917 1.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0043 -3.7059 -0.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2498 -2.7304 0.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6910 -3.8610 -0.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5570 -2.3758 -1.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6726 3.7850 -0.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6569 3.7788 0.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 5.8910 0.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6263 5.8972 -0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8516 5.9877 -0.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8358 5.9815 0.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8439 8.0538 -1.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0492 8.2455 0.6611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4811 10.1191 -1.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0849 10.4469 -0.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1412 10.3025 1.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5176 9.8662 0.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2887 10.0201 2.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1475 8.0048 2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4545 7.6364 1.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6638 -2.6934 2.8729 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0633 -3.0839 4.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8020 -1.8810 4.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 2 0 0 0 0 1 33 1 0 0 0 0 2 18 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 17 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 42 1 0 0 0 0 14 29 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 24 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0 0 0 0 0 0 0 0 0 0 -1.7871 -3.5673 2.7338 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8859 -3.8940 1.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -3.4515 0.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8499 -2.8109 -0.3612 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 3.4395 0.0068 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1099 4.0788 0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0794 5.5971 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2889 6.2816 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1071 7.7393 0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3838 8.4294 -0.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1354 9.9334 -0.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 10.4528 0.9605 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1677 9.6844 1.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4731 8.1876 1.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1907 11.8163 0.8208 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.7299 -4.0018 3.6108 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7962 -4.7907 3.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4907 -4.0488 2.1176 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.2721 -5.9454 2.4881 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.9046 0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3122 1.9417 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9278 -0.5533 0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3987 -0.1851 -0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1600 -0.6613 0.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5678 -3.8267 0.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7253 -2.5474 1.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9229 -2.5449 -1.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0613 -1.7571 2.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6447 -2.5414 4.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7126 -4.4937 1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0025 -3.7055 -0.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2498 -2.7304 0.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6910 -3.8610 -0.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5570 -2.3758 -1.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6726 3.7850 -0.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6569 3.7788 0.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 5.8910 0.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6263 5.8972 -0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8516 5.9877 -0.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8358 5.9815 0.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8439 8.0538 -1.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0492 8.2455 0.6611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4811 10.1191 -1.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0849 10.4469 -0.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1412 10.3025 1.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5176 9.8662 0.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2887 10.0201 2.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1475 8.0048 2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4545 7.6364 1.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4767 -5.0710 3.8831 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 2 0 0 0 0 1 33 1 0 0 0 0 2 18 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 17 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 42 1 0 0 0 0 14 29 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 25 58 1 0 0 0 0 26 27 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 63 1 0 0 0 0 M END > (510301) 510301 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 61 64 0 0 0 999 V2000 -0.0167 1.3829 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2141 -0.6751 -0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1715 2.0842 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 1.4114 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 0.0323 -0.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6979 -0.7418 -0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8177 0.1152 0.3535 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8311 1.3470 -0.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6547 2.2223 -0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5097 3.3761 -0.9762 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2569 3.1337 -2.3141 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1178 4.1885 -3.1943 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2322 5.4949 -2.7343 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4863 5.7346 -1.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6242 4.6749 -0.5148 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0954 -0.6009 0.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1639 -0.7021 0.0119 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3744 0.0572 0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5729 -0.8939 0.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8689 -0.0810 0.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0196 -0.9941 0.0672 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2696 -0.2641 0.3241 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4464 -1.2416 0.2653 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2316 -2.2958 1.2076 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0233 -3.0282 0.9866 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8320 -2.0688 1.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0561 6.8441 -3.8538 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2857 8.2927 -2.7865 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9582 1.9121 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2303 -1.7550 -0.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1572 3.1641 0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6251 -1.5846 0.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8748 -1.1153 -1.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7661 1.8823 -0.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7313 1.0956 -1.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8402 2.6078 0.9849 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1685 2.1182 -2.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9208 3.9985 -4.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5761 6.7486 -1.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8213 4.8604 0.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2148 -0.9738 -0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9145 0.0782 0.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1049 -1.4385 0.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3987 0.6808 0.9238 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4196 0.6903 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5485 -1.5175 -0.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5277 -1.5270 0.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8932 0.5426 0.9523 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9141 0.5521 -0.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2266 0.1948 1.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4011 0.5098 -0.4321 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3689 -0.7158 0.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5220 -1.6602 -0.7383 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9165 -3.7945 1.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0574 -3.4988 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9141 -2.6122 0.8284 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7661 -1.6387 2.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1962 9.2010 -3.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5244 8.2936 -2.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2744 8.2541 -2.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 1 30 1 0 0 0 0 2 18 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 17 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 29 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 M END > (510302) 510302 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 64 67 0 1 0 999 V2000 -0.0167 1.3829 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2141 -0.6752 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1715 2.0842 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3841 1.4113 -0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 0.0323 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6981 -0.7419 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 0.1192 -0.4400 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8391 1.3429 0.3769 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6546 2.2224 -0.0242 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0895 -0.5979 -0.3599 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5281 3.3658 0.9493 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3122 3.1094 2.2907 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2016 4.1556 3.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3072 5.4644 2.7382 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5238 5.7190 1.3917 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6338 4.6693 0.5005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 -0.7020 0.0078 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3745 0.0572 0.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5730 -0.8938 0.0264 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8691 -0.0809 0.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0198 -0.9940 0.0458 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2707 -0.2640 0.2983 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.4473 -1.2414 0.2352 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2359 -2.2957 1.1782 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0268 -3.0281 0.9614 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8357 -2.0687 1.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4515 0.8224 -0.7638 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1983 6.4953 3.6169 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3174 7.8164 3.0851 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9582 1.9121 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2303 -1.7550 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1572 3.1641 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8946 -1.1255 0.9762 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6119 -1.5777 -0.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7599 1.0808 1.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 1.8799 0.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8210 2.6186 -1.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0348 -1.5068 -0.9591 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8878 0.0399 -0.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2954 -0.8589 0.6781 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2297 2.0903 2.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0326 3.9548 4.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6061 6.7370 1.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8024 4.8669 -0.5478 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4020 0.6808 0.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4165 0.6904 -0.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5455 -1.5173 -0.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5310 -1.5269 0.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8966 0.5427 0.9349 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9111 0.5523 -0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2312 0.1949 1.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3707 -0.7156 0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5193 -1.6600 -0.7687 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9228 -3.7944 1.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0575 -3.4986 -0.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9171 -2.6121 0.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7734 -1.6387 2.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4927 0.3622 -1.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3790 1.3633 -0.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6115 1.5158 -0.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2947 7.9328 2.6168 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5367 7.9808 2.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2116 8.5432 3.8905 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 1 31 1 0 0 0 0 2 18 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 12 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 17 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 14 15 2 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 16 17 2 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 30 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 M END > (510303) 510303 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 68 73 0 1 0 999 V2000 -0.0173 1.4259 0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4209 1.9505 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1254 1.4099 -1.1727 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1251 -0.0600 -1.1482 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6798 -0.5645 -1.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4951 1.9349 -1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2730 1.1703 -2.3249 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6996 1.7170 -2.4074 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4262 1.0029 -3.4095 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7197 1.3675 -3.6113 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4866 0.7193 -4.5668 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5901 2.7666 -3.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2803 2.3951 -2.8661 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3621 2.1215 -4.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8015 1.0901 -4.7737 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5530 1.6731 -5.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7816 2.5866 -4.2363 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6505 1.3389 -6.2912 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6324 0.3776 -5.7925 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8866 0.0015 -7.0822 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0540 -0.1177 -8.1027 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2037 0.7256 -7.4952 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7659 3.9859 -4.7955 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1142 -0.4934 -5.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3663 5.0158 -4.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3539 6.2992 -4.6049 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7379 6.5548 -5.8226 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1359 5.5187 -6.5239 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1561 4.2364 -6.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7233 7.8565 -6.3428 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2889 8.9898 -5.7445 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0777 10.0155 -6.5295 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3715 9.5697 -7.6521 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1658 8.2394 -7.5138 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5264 1.7781 0.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5434 1.7877 -0.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4109 3.0392 -0.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9309 1.6334 0.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6291 -0.4389 -2.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6464 -0.4093 -0.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 -0.2606 -2.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 -1.6518 -1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 2.9933 -1.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9881 1.8107 -0.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3040 0.1118 -2.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7799 1.2944 -3.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6686 2.7755 -2.6661 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1927 1.5929 -1.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0547 -0.0792 -5.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0217 3.5655 -2.4962 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6903 2.9040 -2.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4256 2.1991 -5.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8650 0.7640 -4.6837 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2897 2.5970 -3.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3687 -0.9510 -6.9694 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1921 0.7889 -7.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3615 -1.1582 -8.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7556 0.2888 -9.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5184 1.4958 -8.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0460 0.0835 -7.2376 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8450 4.8164 -3.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8227 7.1032 -4.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6556 5.7146 -7.4712 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6880 3.4300 -6.5561 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3938 11.0311 -6.3428 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0474 10.1797 -8.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6496 7.5985 -8.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 38 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 7 8 1 0 0 0 0 7 44 1 0 0 0 0 7 45 1 0 0 0 0 8 9 1 0 0 0 0 8 46 1 0 0 0 0 8 47 1 0 0 0 0 9 10 1 0 0 0 0 9 48 1 0 0 0 0 9 49 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 16 1 0 0 0 0 12 50 1 0 0 0 0 13 15 1 0 0 0 0 13 14 2 0 0 0 0 13 51 1 0 0 0 0 14 52 1 0 0 0 0 15 18 1 0 0 0 0 15 16 2 0 0 0 0 16 20 1 0 0 0 0 17 19 1 0 0 0 0 17 18 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 24 1 0 0 0 0 18 55 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 23 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 24 26 2 0 0 0 0 24 30 1 0 0 0 0 26 27 1 0 0 0 0 26 62 1 0 0 0 0 27 28 2 0 0 0 0 27 63 1 0 0 0 0 28 29 1 0 0 0 0 28 31 1 0 0 0 0 29 30 2 0 0 0 0 29 64 1 0 0 0 0 30 65 1 0 0 0 0 31 32 1 0 0 0 0 31 35 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 33 66 1 0 0 0 0 34 35 2 0 0 0 0 34 67 1 0 0 0 0 35 68 1 0 0 0 0 M END > (512281) 512281 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 68 73 0 1 0 999 V2000 -0.0173 1.4259 0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4209 1.9505 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1254 1.4099 -1.1727 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1251 -0.0600 -1.1482 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6798 -0.5645 -1.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4951 1.9349 -1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2730 1.1703 -2.3249 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6996 1.7170 -2.4074 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4262 1.0029 -3.4095 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7197 1.3675 -3.6113 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4866 0.7193 -4.5668 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5901 2.7666 -3.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2803 2.3951 -2.8661 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3621 2.1215 -4.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8015 1.0901 -4.7737 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5530 1.6731 -5.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7816 2.5866 -4.2363 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6505 1.3389 -6.2912 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6324 0.3776 -5.7925 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8866 0.0015 -7.0822 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0540 -0.1177 -8.1027 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2037 0.7256 -7.4952 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7659 3.9859 -4.7955 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1142 -0.4934 -5.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3663 5.0158 -4.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3535 6.2993 -4.6049 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7375 6.5549 -5.8224 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1360 5.5189 -6.5238 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1561 4.2365 -6.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7225 7.8571 -6.3425 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2675 8.9616 -5.7698 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0556 9.9836 -6.5536 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3789 9.5788 -7.6386 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1601 8.2548 -7.5279 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5264 1.7781 0.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5434 1.7877 -0.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4109 3.0392 -0.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9309 1.6334 0.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6291 -0.4389 -2.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6464 -0.4093 -0.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 -0.2606 -2.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 -1.6518 -1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 2.9933 -1.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9881 1.8107 -0.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3040 0.1118 -2.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7799 1.2944 -3.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6686 2.7755 -2.6661 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1927 1.5929 -1.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0547 -0.0792 -5.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0217 3.5655 -2.4962 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6903 2.9040 -2.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4256 2.1991 -5.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8650 0.7640 -4.6837 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2897 2.5970 -3.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3687 -0.9510 -6.9694 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1921 0.7889 -7.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3615 -1.1582 -8.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7556 0.2888 -9.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5184 1.4958 -8.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0460 0.0835 -7.2376 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8453 4.8164 -3.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8219 7.1035 -4.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6557 5.7148 -7.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6884 3.4300 -6.5563 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7885 8.9896 -4.8242 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0634 10.2065 -8.4588 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6412 7.6267 -8.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 38 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 7 8 1 0 0 0 0 7 44 1 0 0 0 0 7 45 1 0 0 0 0 8 9 1 0 0 0 0 8 46 1 0 0 0 0 8 47 1 0 0 0 0 9 10 1 0 0 0 0 9 48 1 0 0 0 0 9 49 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 16 1 0 0 0 0 12 50 1 0 0 0 0 13 15 1 0 0 0 0 13 14 2 0 0 0 0 13 51 1 0 0 0 0 14 52 1 0 0 0 0 15 18 1 0 0 0 0 15 16 2 0 0 0 0 16 20 1 0 0 0 0 17 19 1 0 0 0 0 17 18 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 24 1 0 0 0 0 18 55 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 23 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 24 26 2 0 0 0 0 24 30 1 0 0 0 0 26 27 1 0 0 0 0 26 62 1 0 0 0 0 27 28 2 0 0 0 0 27 63 1 0 0 0 0 28 29 1 0 0 0 0 28 31 1 0 0 0 0 29 30 2 0 0 0 0 29 64 1 0 0 0 0 30 65 1 0 0 0 0 31 32 1 0 0 0 0 31 35 1 0 0 0 0 32 33 2 0 0 0 0 32 66 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 67 1 0 0 0 0 35 68 1 0 0 0 0 M END > (512283) 512283 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 62 66 0 1 0 999 V2000 -0.0187 1.5261 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7064 -0.4787 -1.1959 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1034 -0.0262 -1.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1454 1.5033 -1.2324 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4196 2.0513 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -1.9412 -1.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1466 -2.3760 -2.6805 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0628 -3.8991 -2.7983 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5490 -4.3052 -4.0792 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5430 -5.6375 -4.3474 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0052 -6.1059 -5.5674 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0816 -7.8895 -3.6746 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0794 -6.5389 -3.3998 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5543 -8.3646 -4.8907 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0046 -7.4607 -5.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9439 -10.2118 -6.5586 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5603 -9.8544 -5.1169 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0309 -9.3304 -6.9501 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4888 -7.9627 -7.1617 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7084 -7.2174 -7.7257 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3181 -8.2810 -8.6824 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7832 -9.6397 -8.1626 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5494 -10.4900 -4.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6718 -7.9827 -7.8829 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1393 -11.4357 -3.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -11.9973 -2.3989 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3435 -11.6430 -2.4645 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7691 -10.7470 -3.3335 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8922 -10.1470 -4.2172 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5449 1.8878 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5279 1.8782 0.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5163 -0.3652 0.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0206 -0.3811 -0.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6078 -0.3873 -0.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6069 -0.4194 -2.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1823 1.8391 -1.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6532 1.8646 -2.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4094 3.1406 -0.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9345 1.7220 0.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2325 -2.3999 -0.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4109 -2.2578 -1.1969 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5401 -1.9173 -3.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1835 -2.0593 -2.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6693 -4.3578 -2.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0259 -4.2158 -2.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 -5.4090 -6.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7202 -8.5863 -2.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7173 -6.1822 -2.4469 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2724 -11.2499 -6.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0889 -10.0609 -7.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5666 -10.2495 -4.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4014 -6.3282 -8.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4093 -6.9598 -6.9317 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9826 -8.1078 -9.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4066 -8.2575 -8.6308 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6132 -10.3071 -7.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1289 -10.0957 -8.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1017 -11.7295 -3.1878 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7636 -12.7347 -1.6738 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8158 -10.4819 -3.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2469 -9.4142 -4.9268 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 7 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 9 10 1 0 0 0 0 9 45 1 0 0 0 0 9 46 1 0 0 0 0 10 11 1 0 0 0 0 11 14 1 0 0 0 0 11 12 2 0 0 0 0 12 16 1 0 0 0 0 12 47 1 0 0 0 0 13 15 1 0 0 0 0 13 14 2 0 0 0 0 13 48 1 0 0 0 0 14 49 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 20 1 0 0 0 0 17 19 1 0 0 0 0 17 18 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 24 1 0 0 0 0 18 52 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 23 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 26 2 0 0 0 0 24 30 1 0 0 0 0 26 27 1 0 0 0 0 26 59 1 0 0 0 0 27 28 2 0 0 0 0 27 60 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 61 1 0 0 0 0 30 62 1 0 0 0 0 M END > (512284) 512284 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 62 66 0 1 0 999 V2000 -0.0187 1.5261 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7064 -0.4787 -1.1959 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1034 -0.0262 -1.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1454 1.5033 -1.2324 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4196 2.0513 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -1.9412 -1.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1466 -2.3760 -2.6805 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0628 -3.8991 -2.7983 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5490 -4.3052 -4.0792 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5430 -5.6375 -4.3474 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0052 -6.1059 -5.5674 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0816 -7.8895 -3.6746 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0794 -6.5389 -3.3998 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5543 -8.3646 -4.8907 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0046 -7.4607 -5.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9439 -10.2118 -6.5586 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5603 -9.8544 -5.1169 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0309 -9.3304 -6.9501 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4888 -7.9627 -7.1617 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7084 -7.2174 -7.7257 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3181 -8.2810 -8.6824 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7832 -9.6397 -8.1626 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5494 -10.4900 -4.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6718 -7.9827 -7.8829 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8849 -10.1383 -4.2199 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7564 -10.6901 -3.3980 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3942 -11.5914 -2.5065 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0755 -11.9924 -2.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1298 -11.4309 -3.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5449 1.8878 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5279 1.8782 0.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5163 -0.3652 0.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0206 -0.3811 -0.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6078 -0.3873 -0.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6069 -0.4194 -2.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1823 1.8391 -1.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6532 1.8646 -2.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4094 3.1406 -0.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9345 1.7220 0.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2325 -2.3999 -0.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4109 -2.2578 -1.1969 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5401 -1.9173 -3.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1835 -2.0593 -2.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6693 -4.3578 -2.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0259 -4.2158 -2.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 -5.4090 -6.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7202 -8.5863 -2.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7173 -6.1822 -2.4469 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2724 -11.2499 -6.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0889 -10.0609 -7.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5666 -10.2495 -4.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4014 -6.3282 -8.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4093 -6.9598 -6.9317 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9826 -8.1078 -9.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4066 -8.2575 -8.6308 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6132 -10.3071 -7.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1289 -10.0957 -8.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2190 -9.4032 -4.9372 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1365 -12.0216 -1.8504 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7850 -12.7314 -1.6699 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0923 -11.7248 -3.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 7 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 9 10 1 0 0 0 0 9 45 1 0 0 0 0 9 46 1 0 0 0 0 10 11 1 0 0 0 0 11 14 1 0 0 0 0 11 12 2 0 0 0 0 12 16 1 0 0 0 0 12 47 1 0 0 0 0 13 15 1 0 0 0 0 13 14 2 0 0 0 0 13 48 1 0 0 0 0 14 49 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 20 1 0 0 0 0 17 19 1 0 0 0 0 17 18 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 24 1 0 0 0 0 18 52 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 23 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 26 2 0 0 0 0 24 30 1 0 0 0 0 26 27 1 0 0 0 0 26 59 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 60 1 0 0 0 0 29 30 2 0 0 0 0 29 61 1 0 0 0 0 30 62 1 0 0 0 0 M END > (512300) 512300 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 60 64 0 1 0 999 V2000 -0.0187 1.5267 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7564 -0.4723 -1.1697 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1303 0.0503 -1.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0882 1.5806 -1.1277 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3249 2.0168 0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7524 -1.9393 -1.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3241 -2.3809 -2.5953 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3199 -3.9088 -2.6754 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8540 -4.3213 -3.9350 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9210 -5.6584 -4.1687 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4329 -6.1327 -5.3663 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5590 -7.9136 -3.4474 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4828 -6.5584 -3.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0817 -8.3940 -4.6408 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5066 -7.4921 -5.6027 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6004 -10.2597 -6.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1678 -9.8867 -4.8282 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6500 -9.3341 -6.6436 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0443 -8.0015 -6.9017 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2369 -7.2092 -7.4595 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9203 -8.2638 -8.3755 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4434 -9.6346 -7.8319 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1668 -10.4474 -3.8491 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2454 -8.0809 -7.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4835 -10.0294 -3.8763 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3635 -10.5155 -3.0226 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0277 -11.4117 -2.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7289 -11.8767 -2.0281 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7749 -11.3852 -2.9056 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5448 1.8885 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5278 1.8789 0.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4808 -0.3666 0.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0192 -0.3817 -0.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6431 -0.3114 -0.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6626 -0.2876 -2.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1030 1.9717 -1.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6234 1.9439 -2.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3639 -2.3470 -0.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2695 -2.3055 -1.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7126 -1.9732 -3.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3460 -2.0147 -2.6941 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9314 -4.3165 -1.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -4.2750 -2.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7753 -5.4369 -6.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2171 -8.6092 -2.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0823 -6.1971 -2.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 -11.2806 -6.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7536 -10.1690 -6.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 -10.3266 -4.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8977 -6.3507 -8.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9064 -6.8966 -6.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5990 -8.1333 -9.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0049 -8.1836 -8.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3006 -10.2529 -7.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8293 -10.1417 -8.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7958 -9.2963 -4.6053 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7761 -11.7871 -1.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4600 -12.6111 -1.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7524 -11.7301 -2.8606 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 7 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 43 1 0 0 0 0 9 44 1 0 0 0 0 10 11 1 0 0 0 0 11 14 1 0 0 0 0 11 12 2 0 0 0 0 12 16 1 0 0 0 0 12 45 1 0 0 0 0 13 15 1 0 0 0 0 13 14 2 0 0 0 0 13 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 20 1 0 0 0 0 17 19 1 0 0 0 0 17 18 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 24 1 0 0 0 0 18 50 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 26 2 0 0 0 0 24 30 1 0 0 0 0 26 27 1 0 0 0 0 26 57 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 58 1 0 0 0 0 29 30 2 0 0 0 0 29 59 1 0 0 0 0 30 60 1 0 0 0 0 M END > (512303) 512303 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 62 66 0 1 0 999 V2000 -0.0187 1.5261 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7064 -0.4787 -1.1959 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1034 -0.0262 -1.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1454 1.5033 -1.2324 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4196 2.0513 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -1.9412 -1.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1466 -2.3760 -2.6805 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0628 -3.8991 -2.7983 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5490 -4.3052 -4.0792 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5430 -5.6375 -4.3474 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0052 -6.1059 -5.5674 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0816 -7.8895 -3.6746 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0794 -6.5389 -3.3998 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5543 -8.3646 -4.8907 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0046 -7.4607 -5.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9439 -10.2118 -6.5586 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5603 -9.8544 -5.1169 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0309 -9.3304 -6.9501 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4888 -7.9627 -7.1617 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7084 -7.2174 -7.7257 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3181 -8.2810 -8.6824 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7832 -9.6397 -8.1626 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5494 -10.4900 -4.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6718 -7.9827 -7.8829 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2948 -11.6805 -3.6678 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1309 -12.2750 -2.8391 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3139 -11.6640 -2.4694 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6162 -10.4113 -2.9817 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7158 -9.8205 -3.8546 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5449 1.8878 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5279 1.8782 0.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5163 -0.3652 0.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0206 -0.3811 -0.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6078 -0.3873 -0.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6069 -0.4194 -2.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1823 1.8391 -1.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6532 1.8646 -2.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4094 3.1406 -0.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9345 1.7220 0.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2325 -2.3999 -0.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4109 -2.2578 -1.1969 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5401 -1.9173 -3.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1835 -2.0593 -2.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6693 -4.3578 -2.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0259 -4.2158 -2.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 -5.4090 -6.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7202 -8.5863 -2.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7173 -6.1822 -2.4469 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2724 -11.2499 -6.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0889 -10.0609 -7.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5666 -10.2495 -4.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4014 -6.3282 -8.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4093 -6.9598 -6.9317 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9826 -8.1078 -9.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4066 -8.2575 -8.6308 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6132 -10.3071 -7.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1289 -10.0957 -8.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8881 -13.2506 -2.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9942 -12.1556 -1.7899 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5333 -9.9096 -2.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9191 -8.8458 -4.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 7 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 9 10 1 0 0 0 0 9 45 1 0 0 0 0 9 46 1 0 0 0 0 10 11 1 0 0 0 0 11 14 1 0 0 0 0 11 12 2 0 0 0 0 12 16 1 0 0 0 0 12 47 1 0 0 0 0 13 15 1 0 0 0 0 13 14 2 0 0 0 0 13 48 1 0 0 0 0 14 49 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 20 1 0 0 0 0 17 19 1 0 0 0 0 17 18 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 24 1 0 0 0 0 18 52 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 23 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 26 2 0 0 0 0 24 30 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 59 1 0 0 0 0 28 29 1 0 0 0 0 28 60 1 0 0 0 0 29 30 2 0 0 0 0 29 61 1 0 0 0 0 30 62 1 0 0 0 0 M END > (512304) 512304 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 60 64 0 1 0 999 V2000 -0.0187 1.5267 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7564 -0.4723 -1.1697 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1303 0.0503 -1.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0882 1.5806 -1.1277 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3249 2.0168 0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7524 -1.9393 -1.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3241 -2.3809 -2.5953 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3199 -3.9088 -2.6754 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8540 -4.3213 -3.9350 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9210 -5.6584 -4.1687 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4329 -6.1327 -5.3663 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5590 -7.9136 -3.4474 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4828 -6.5584 -3.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0817 -8.3940 -4.6408 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5066 -7.4921 -5.6027 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6004 -10.2597 -6.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1678 -9.8867 -4.8282 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6500 -9.3341 -6.6436 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0443 -8.0015 -6.9017 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2369 -7.2092 -7.4595 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9203 -8.2638 -8.3755 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4434 -9.6346 -7.8319 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1668 -10.4474 -3.8491 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2454 -8.0809 -7.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9614 -11.6364 -3.3174 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8080 -12.1669 -2.4565 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9503 -11.4874 -2.0784 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2003 -10.2340 -2.6166 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2906 -9.7117 -3.5229 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5448 1.8885 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5278 1.8789 0.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4808 -0.3666 0.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0192 -0.3817 -0.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6431 -0.3114 -0.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6626 -0.2876 -2.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1030 1.9717 -1.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6234 1.9439 -2.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3639 -2.3470 -0.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2695 -2.3055 -1.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7126 -1.9732 -3.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3460 -2.0147 -2.6941 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9314 -4.3165 -1.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -4.2750 -2.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7753 -5.4369 -6.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2171 -8.6092 -2.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0823 -6.1971 -2.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 -11.2806 -6.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7536 -10.1690 -6.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 -10.3266 -4.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8977 -6.3507 -8.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9064 -6.8966 -6.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5990 -8.1333 -9.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0049 -8.1836 -8.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3006 -10.2529 -7.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8293 -10.1417 -8.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6061 -13.1435 -2.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6395 -11.9267 -1.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0847 -9.6797 -2.3392 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4536 -8.7386 -3.9621 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 7 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 43 1 0 0 0 0 9 44 1 0 0 0 0 10 11 1 0 0 0 0 11 14 1 0 0 0 0 11 12 2 0 0 0 0 12 16 1 0 0 0 0 12 45 1 0 0 0 0 13 15 1 0 0 0 0 13 14 2 0 0 0 0 13 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 20 1 0 0 0 0 17 19 1 0 0 0 0 17 18 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 24 1 0 0 0 0 18 50 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 26 2 0 0 0 0 24 30 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 57 1 0 0 0 0 28 29 1 0 0 0 0 28 58 1 0 0 0 0 29 30 2 0 0 0 0 29 59 1 0 0 0 0 30 60 1 0 0 0 0 M END > (512306) 512306 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 59 63 0 1 0 999 V2000 -0.0187 1.5267 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7564 -0.4723 -1.1697 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1303 0.0503 -1.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0882 1.5806 -1.1277 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3249 2.0168 0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7524 -1.9393 -1.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3241 -2.3809 -2.5953 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3199 -3.9088 -2.6754 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8540 -4.3213 -3.9350 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9210 -5.6584 -4.1687 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4329 -6.1327 -5.3663 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5590 -7.9136 -3.4474 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4828 -6.5584 -3.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0817 -8.3940 -4.6408 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5066 -7.4921 -5.6027 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6004 -10.2597 -6.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1678 -9.8867 -4.8282 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6500 -9.3341 -6.6436 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0443 -8.0015 -6.9017 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2369 -7.2092 -7.4595 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9203 -8.2638 -8.3755 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4434 -9.6346 -7.8319 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1668 -10.4474 -3.8491 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2454 -8.0809 -7.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9685 -11.6381 -3.3118 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8447 -12.1300 -2.4535 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9695 -11.3980 -2.1172 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1679 -10.2071 -2.6545 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2947 -9.7177 -3.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5448 1.8885 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5278 1.8789 0.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4808 -0.3666 0.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0192 -0.3817 -0.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6431 -0.3114 -0.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6626 -0.2876 -2.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1030 1.9717 -1.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6234 1.9439 -2.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3639 -2.3470 -0.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2695 -2.3055 -1.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7126 -1.9732 -3.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3460 -2.0147 -2.6941 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9314 -4.3165 -1.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -4.2750 -2.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7753 -5.4369 -6.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2171 -8.6092 -2.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0823 -6.1971 -2.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 -11.2806 -6.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7536 -10.1690 -6.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 -10.3266 -4.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8977 -6.3507 -8.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9064 -6.8966 -6.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5990 -8.1333 -9.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0049 -8.1836 -8.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3006 -10.2529 -7.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8293 -10.1417 -8.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6826 -13.1033 -2.0143 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6852 -11.7997 -1.4152 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4568 -8.7444 -3.9561 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 7 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 43 1 0 0 0 0 9 44 1 0 0 0 0 10 11 1 0 0 0 0 11 14 1 0 0 0 0 11 12 2 0 0 0 0 12 16 1 0 0 0 0 12 45 1 0 0 0 0 13 15 1 0 0 0 0 13 14 2 0 0 0 0 13 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 20 1 0 0 0 0 17 19 1 0 0 0 0 17 18 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 24 1 0 0 0 0 18 50 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 26 2 0 0 0 0 24 30 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 57 1 0 0 0 0 28 29 1 0 0 0 0 28 58 1 0 0 0 0 29 30 2 0 0 0 0 30 59 1 0 0 0 0 M END > (512308) 512308 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 60 64 0 1 0 999 V2000 -0.0187 1.5261 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7064 -0.4787 -1.1959 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1034 -0.0262 -1.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1454 1.5033 -1.2324 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4196 2.0513 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -1.9412 -1.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1466 -2.3760 -2.6805 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0628 -3.8991 -2.7983 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5490 -4.3052 -4.0792 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5430 -5.6375 -4.3474 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0052 -6.1059 -5.5674 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0816 -7.8895 -3.6746 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0794 -6.5389 -3.3998 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5543 -8.3646 -4.8907 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0046 -7.4607 -5.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9439 -10.2118 -6.5586 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5603 -9.8544 -5.1169 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0309 -9.3304 -6.9501 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4888 -7.9627 -7.1617 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7084 -7.2174 -7.7257 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3181 -8.2810 -8.6824 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7832 -9.6397 -8.1626 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5494 -10.4900 -4.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6718 -7.9827 -7.8829 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2717 -10.1371 -4.1225 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4984 -11.2868 -2.8109 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3281 -11.8453 -2.4983 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2517 -11.4019 -3.2473 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5449 1.8878 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5279 1.8782 0.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5163 -0.3652 0.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0206 -0.3811 -0.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6078 -0.3873 -0.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6069 -0.4194 -2.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1823 1.8391 -1.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6532 1.8646 -2.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4094 3.1406 -0.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9345 1.7220 0.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2325 -2.3999 -0.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4109 -2.2578 -1.1969 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5401 -1.9173 -3.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1835 -2.0593 -2.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6693 -4.3578 -2.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0259 -4.2158 -2.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 -5.4090 -6.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7203 -8.5863 -2.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7173 -6.1822 -2.4469 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2724 -11.2499 -6.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0889 -10.0609 -7.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5666 -10.2495 -4.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4014 -6.3282 -8.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4093 -6.9598 -6.9317 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9826 -8.1078 -9.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4066 -8.2575 -8.6308 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6132 -10.3071 -7.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1289 -10.0957 -8.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4410 -11.5072 -2.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2273 -12.5845 -1.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 -11.7714 -3.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 7 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 9 10 1 0 0 0 0 9 44 1 0 0 0 0 9 45 1 0 0 0 0 10 11 1 0 0 0 0 11 14 1 0 0 0 0 11 12 2 0 0 0 0 12 16 1 0 0 0 0 12 46 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 13 47 1 0 0 0 0 14 48 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 20 1 0 0 0 0 17 19 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 24 1 0 0 0 0 18 51 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 23 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 26 1 0 0 0 0 24 29 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 58 1 0 0 0 0 28 29 1 0 0 0 0 28 59 1 0 0 0 0 29 60 1 0 0 0 0 M END > (512311) 512311 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 58 62 0 1 0 999 V2000 -0.0187 1.5267 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7564 -0.4723 -1.1697 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1303 0.0503 -1.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0882 1.5806 -1.1277 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3249 2.0168 0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7524 -1.9393 -1.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3241 -2.3809 -2.5953 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3199 -3.9088 -2.6754 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8540 -4.3213 -3.9350 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9210 -5.6584 -4.1687 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4329 -6.1327 -5.3663 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5590 -7.9136 -3.4474 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4828 -6.5584 -3.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0817 -8.3940 -4.6408 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5066 -7.4921 -5.6027 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6004 -10.2597 -6.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1678 -9.8867 -4.8282 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6500 -9.3341 -6.6436 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0443 -8.0015 -6.9017 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2369 -7.2092 -7.4595 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9203 -8.2638 -8.3755 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4434 -9.6346 -7.8319 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1668 -10.4474 -3.8491 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2454 -8.0809 -7.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8675 -10.0061 -3.7710 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1230 -11.1099 -2.4256 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9757 -11.7193 -2.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8951 -11.3501 -2.9053 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5448 1.8885 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5278 1.8789 0.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4808 -0.3666 0.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0192 -0.3817 -0.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6431 -0.3114 -0.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6626 -0.2876 -2.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1030 1.9717 -1.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6234 1.9439 -2.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3639 -2.3470 -0.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2695 -2.3055 -1.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7126 -1.9732 -3.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3460 -2.0147 -2.6941 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9314 -4.3165 -1.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -4.2750 -2.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7753 -5.4369 -6.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2172 -8.6093 -2.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0823 -6.1971 -2.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 -11.2806 -6.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7536 -10.1690 -6.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 -10.3266 -4.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8977 -6.3507 -8.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9064 -6.8966 -6.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5990 -8.1333 -9.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0049 -8.1836 -8.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3006 -10.2529 -7.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8293 -10.1417 -8.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0648 -11.2700 -1.9219 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8952 -12.4432 -1.3255 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9083 -11.7664 -2.7666 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 7 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 11 14 1 0 0 0 0 11 12 2 0 0 0 0 12 16 1 0 0 0 0 12 44 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 13 45 1 0 0 0 0 14 46 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 20 1 0 0 0 0 17 19 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 24 1 0 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 26 1 0 0 0 0 24 29 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 29 58 1 0 0 0 0 M END > (512313) 512313 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 60 64 0 1 0 999 V2000 -0.0187 1.5261 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7064 -0.4787 -1.1959 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1034 -0.0262 -1.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1454 1.5033 -1.2324 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4196 2.0513 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -1.9412 -1.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1466 -2.3760 -2.6805 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0628 -3.8991 -2.7983 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5490 -4.3052 -4.0792 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5430 -5.6375 -4.3474 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0052 -6.1059 -5.5674 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0816 -7.8895 -3.6746 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0794 -6.5389 -3.3998 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5543 -8.3646 -4.8907 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0046 -7.4607 -5.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9439 -10.2118 -6.5586 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5603 -9.8544 -5.1169 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0309 -9.3304 -6.9501 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4888 -7.9627 -7.1617 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7084 -7.2174 -7.7257 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3181 -8.2810 -8.6824 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7832 -9.6397 -8.1626 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5494 -10.4900 -4.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6718 -7.9827 -7.8829 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1799 -11.4373 -3.2349 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1778 -11.8992 -2.4799 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6828 -11.1196 -2.9499 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8483 -10.1863 -4.1853 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5449 1.8878 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5279 1.8782 0.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5163 -0.3652 0.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0206 -0.3811 -0.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6078 -0.3873 -0.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6069 -0.4194 -2.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1823 1.8391 -1.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6532 1.8646 -2.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4094 3.1406 -0.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9345 1.7220 0.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2325 -2.3999 -0.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4109 -2.2578 -1.1969 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5401 -1.9173 -3.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1835 -2.0593 -2.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6693 -4.3578 -2.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0259 -4.2158 -2.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 -5.4090 -6.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7203 -8.5863 -2.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7173 -6.1822 -2.4469 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2724 -11.2499 -6.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0889 -10.0609 -7.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5666 -10.2495 -4.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4014 -6.3282 -8.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4093 -6.9598 -6.9317 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9826 -8.1078 -9.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4066 -8.2575 -8.6308 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6132 -10.3071 -7.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1289 -10.0957 -8.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1608 -11.7765 -3.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0770 -12.6384 -1.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3152 -9.4727 -4.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 7 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 9 10 1 0 0 0 0 9 44 1 0 0 0 0 9 45 1 0 0 0 0 10 11 1 0 0 0 0 11 14 1 0 0 0 0 11 12 2 0 0 0 0 12 16 1 0 0 0 0 12 46 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 13 47 1 0 0 0 0 14 48 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 20 1 0 0 0 0 17 19 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 24 1 0 0 0 0 18 51 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 23 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 26 1 0 0 0 0 24 29 2 0 0 0 0 26 27 2 0 0 0 0 26 58 1 0 0 0 0 27 28 1 0 0 0 0 27 59 1 0 0 0 0 28 29 1 0 0 0 0 29 60 1 0 0 0 0 M END > (512316) 512316 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 58 62 0 1 0 999 V2000 -0.0187 1.5267 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7564 -0.4723 -1.1697 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1303 0.0503 -1.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0882 1.5806 -1.1277 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3249 2.0168 0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7524 -1.9393 -1.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3241 -2.3809 -2.5953 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3199 -3.9088 -2.6754 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8540 -4.3213 -3.9350 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9210 -5.6584 -4.1687 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4329 -6.1327 -5.3663 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5590 -7.9136 -3.4474 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4828 -6.5584 -3.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0817 -8.3940 -4.6408 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5066 -7.4921 -5.6027 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6004 -10.2597 -6.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1678 -9.8867 -4.8282 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6500 -9.3341 -6.6436 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0443 -8.0015 -6.9017 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2369 -7.2092 -7.4595 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9203 -8.2638 -8.3755 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4434 -9.6346 -7.8319 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1668 -10.4474 -3.8491 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2454 -8.0809 -7.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -11.3888 -2.8935 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8281 -11.7804 -2.1062 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3017 -10.9370 -2.5651 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4486 -10.0784 -3.8412 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5448 1.8885 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5278 1.8789 0.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4808 -0.3666 0.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0192 -0.3817 -0.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6431 -0.3114 -0.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6626 -0.2876 -2.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1030 1.9717 -1.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6234 1.9439 -2.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3639 -2.3470 -0.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2695 -2.3055 -1.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7126 -1.9732 -3.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3460 -2.0147 -2.6941 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9314 -4.3165 -1.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -4.2750 -2.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7753 -5.4369 -6.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2172 -8.6093 -2.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0823 -6.1971 -2.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 -11.2806 -6.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7536 -10.1690 -6.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 -10.3266 -4.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8977 -6.3507 -8.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9064 -6.8966 -6.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5990 -8.1333 -9.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0049 -8.1836 -8.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3006 -10.2529 -7.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8293 -10.1417 -8.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8220 -11.7765 -2.7927 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7475 -12.5041 -1.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8933 -9.3586 -4.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 7 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 11 14 1 0 0 0 0 11 12 2 0 0 0 0 12 16 1 0 0 0 0 12 44 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 13 45 1 0 0 0 0 14 46 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 20 1 0 0 0 0 17 19 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 24 1 0 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 26 1 0 0 0 0 24 29 2 0 0 0 0 26 27 2 0 0 0 0 26 56 1 0 0 0 0 27 28 1 0 0 0 0 27 57 1 0 0 0 0 28 29 1 0 0 0 0 29 58 1 0 0 0 0 M END > (512319) 512319 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 57 61 0 1 0 999 V2000 -0.0187 1.5267 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7564 -0.4723 -1.1697 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1303 0.0503 -1.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0882 1.5806 -1.1277 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3249 2.0168 0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7524 -1.9393 -1.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3241 -2.3809 -2.5953 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3199 -3.9088 -2.6754 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8540 -4.3213 -3.9350 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9210 -5.6584 -4.1687 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4329 -6.1327 -5.3663 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5590 -7.9136 -3.4474 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4828 -6.5584 -3.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0817 -8.3940 -4.6408 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5066 -7.4921 -5.6027 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6004 -10.2597 -6.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1678 -9.8867 -4.8282 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6500 -9.3341 -6.6436 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0443 -8.0015 -6.9017 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2369 -7.2092 -7.4595 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9203 -8.2638 -8.3755 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4434 -9.6346 -7.8319 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1668 -10.4474 -3.8491 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2454 -8.0809 -7.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8737 -10.0216 -3.7512 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0784 -11.1069 -2.4461 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 -11.6858 -2.1692 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -11.3512 -2.8978 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5448 1.8885 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5278 1.8789 0.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4808 -0.3666 0.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0192 -0.3817 -0.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6431 -0.3114 -0.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6626 -0.2876 -2.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1030 1.9717 -1.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6234 1.9439 -2.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3639 -2.3470 -0.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2695 -2.3055 -1.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7126 -1.9732 -3.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3460 -2.0147 -2.6941 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9314 -4.3165 -1.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -4.2750 -2.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7753 -5.4369 -6.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2172 -8.6093 -2.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0823 -6.1971 -2.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 -11.2806 -6.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7536 -10.1690 -6.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 -10.3266 -4.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8977 -6.3507 -8.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9064 -6.8966 -6.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5990 -8.1333 -9.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0049 -8.1836 -8.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3006 -10.2529 -7.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8293 -10.1417 -8.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0099 -11.2828 -1.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9333 -11.7787 -2.7444 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 7 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 11 14 1 0 0 0 0 11 12 2 0 0 0 0 12 16 1 0 0 0 0 12 44 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 13 45 1 0 0 0 0 14 46 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 20 1 0 0 0 0 17 19 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 24 1 0 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 26 1 0 0 0 0 24 29 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 29 57 1 0 0 0 0 M END > (512320) 512320 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 57 61 0 1 0 999 V2000 -0.0187 1.5267 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7564 -0.4723 -1.1697 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1303 0.0503 -1.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0882 1.5806 -1.1277 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3249 2.0168 0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7524 -1.9393 -1.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3241 -2.3809 -2.5953 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3199 -3.9088 -2.6754 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8540 -4.3213 -3.9350 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9210 -5.6584 -4.1687 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4329 -6.1327 -5.3663 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5590 -7.9136 -3.4474 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4828 -6.5584 -3.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0817 -8.3940 -4.6408 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5066 -7.4921 -5.6027 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6004 -10.2597 -6.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1678 -9.8867 -4.8282 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6500 -9.3341 -6.6436 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0443 -8.0015 -6.9017 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2369 -7.2092 -7.4595 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9203 -8.2638 -8.3755 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4434 -9.6346 -7.8319 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1668 -10.4474 -3.8491 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2454 -8.0809 -7.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8119 -11.6097 -2.6463 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4899 -11.5795 -2.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1515 -10.7080 -2.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4149 -10.1240 -3.8006 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5448 1.8885 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5278 1.8789 0.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4808 -0.3666 0.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0192 -0.3817 -0.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6431 -0.3114 -0.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6626 -0.2876 -2.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1030 1.9717 -1.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6234 1.9439 -2.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3639 -2.3470 -0.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2695 -2.3055 -1.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7126 -1.9732 -3.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3460 -2.0147 -2.6941 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9314 -4.3165 -1.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -4.2750 -2.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7753 -5.4369 -6.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2172 -8.6093 -2.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0823 -6.1971 -2.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 -11.2806 -6.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7536 -10.1690 -6.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 -10.3266 -4.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8977 -6.3507 -8.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9064 -6.8966 -6.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5990 -8.1333 -9.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0049 -8.1836 -8.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3006 -10.2529 -7.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8293 -10.1417 -8.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9095 -12.1620 -1.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2044 -10.5023 -2.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 7 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 11 14 1 0 0 0 0 11 12 2 0 0 0 0 12 16 1 0 0 0 0 12 44 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 13 45 1 0 0 0 0 14 46 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 20 1 0 0 0 0 17 19 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 24 1 0 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 26 1 0 0 0 0 24 29 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 M END > (512321) 512321 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 58 62 0 1 0 999 V2000 -0.0187 1.5267 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7564 -0.4723 -1.1697 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1303 0.0503 -1.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0882 1.5806 -1.1277 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3249 2.0168 0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7524 -1.9393 -1.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3241 -2.3809 -2.5953 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3199 -3.9088 -2.6754 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8540 -4.3213 -3.9350 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9210 -5.6584 -4.1687 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4329 -6.1327 -5.3663 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5590 -7.9136 -3.4474 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4828 -6.5584 -3.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0817 -8.3940 -4.6408 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5066 -7.4921 -5.6027 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6004 -10.2597 -6.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1678 -9.8867 -4.8282 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6500 -9.3341 -6.6436 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0443 -8.0015 -6.9017 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2369 -7.2092 -7.4595 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9203 -8.2638 -8.3755 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4434 -9.6346 -7.8319 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1668 -10.4474 -3.8491 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2454 -8.0809 -7.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8851 -10.9695 -2.6329 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0899 -11.3746 -2.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0599 -11.1053 -2.8846 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5018 -10.5241 -4.0305 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5448 1.8885 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5278 1.8789 0.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4808 -0.3666 0.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0192 -0.3817 -0.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6431 -0.3114 -0.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6626 -0.2876 -2.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1030 1.9717 -1.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6234 1.9439 -2.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3639 -2.3470 -0.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2695 -2.3055 -1.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7126 -1.9732 -3.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3460 -2.0147 -2.6941 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9314 -4.3165 -1.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -4.2750 -2.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7753 -5.4369 -6.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2172 -8.6093 -2.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0823 -6.1971 -2.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 -11.2806 -6.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7536 -10.1690 -6.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 -10.3266 -4.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8977 -6.3507 -8.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9064 -6.8966 -6.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5990 -8.1333 -9.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0049 -8.1836 -8.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3006 -10.2529 -7.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8293 -10.1417 -8.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9036 -11.0576 -2.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2003 -11.8303 -1.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9894 -10.2245 -4.8137 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 7 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 11 14 1 0 0 0 0 11 12 2 0 0 0 0 12 16 1 0 0 0 0 12 44 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 13 45 1 0 0 0 0 14 46 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 20 1 0 0 0 0 17 19 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 24 1 0 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 26 2 0 0 0 0 24 29 1 0 0 0 0 26 27 1 0 0 0 0 26 56 1 0 0 0 0 27 28 2 0 0 0 0 27 57 1 0 0 0 0 28 29 1 0 0 0 0 29 58 1 0 0 0 0 M END > (512324) 512324 $$$$ Wcorina 01220710493D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 64 67 0 0 0 0 0 0 0 0999 V2000 -0.2647 0.6012 0.7487 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -0.7393 0.8605 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3381 -1.1698 0.5834 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3033 -0.2600 0.1942 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9843 1.0803 0.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7006 1.5111 0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7033 -0.7293 -0.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5371 -1.7115 -2.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5213 -2.5185 -3.2141 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6546 -3.2232 -3.5746 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8037 -3.1207 -2.8131 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8193 -2.3141 -1.6906 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6860 -1.6093 -1.3301 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5662 -2.6688 0.9243 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6031 0.4815 -0.3624 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0513 0.0154 -0.5253 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9229 1.1825 -0.7152 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3386 0.8000 -0.6385 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2139 2.0069 -0.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9189 3.1433 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4288 3.4896 -0.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6053 2.2397 0.2532 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2555 2.7278 1.3242 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7341 4.3550 -0.3726 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1412 5.2410 0.6074 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8889 6.3525 0.2671 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2300 6.5784 -1.0545 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8223 5.6913 -2.0349 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0794 4.5771 -1.6927 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1686 7.9745 -1.4827 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2344 -1.5110 1.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8570 -1.6835 3.4164 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3407 -0.9235 2.2753 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 0.9369 0.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7001 -1.4501 1.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5872 -2.2170 0.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7386 1.7912 -0.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4514 2.5582 0.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6530 -1.1574 -1.8127 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6235 -2.5986 -3.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6420 -3.8542 -4.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6888 -3.6718 -3.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7169 -2.2345 -1.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2802 0.9887 -1.2716 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5354 1.1689 0.4808 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3608 -0.5278 0.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1267 -0.6395 -1.3934 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5691 0.4615 0.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5359 -0.0059 -1.3454 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2648 1.7269 -0.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9937 2.3375 -1.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2043 4.2688 0.6627 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1805 3.8435 -1.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5436 2.4794 0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8439 1.8944 1.2591 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0938 3.4001 2.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8746 5.0648 1.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2065 7.0448 1.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0883 5.8671 -3.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7611 3.8846 -2.4578 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2160 -2.5461 3.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8697 -2.0229 3.1986 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8695 -1.0469 4.3011 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0753 0.0025 2.3894 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 3 4 2 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 5 37 1 0 0 0 0 6 38 1 0 0 0 0 7 13 1 0 0 0 0 7 31 1 0 0 0 0 7 15 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 11 2 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 12 13 2 0 0 0 0 12 43 1 0 0 0 0 14 31 2 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 56 1 0 0 0 0 24 25 2 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 57 1 0 0 0 0 26 27 2 0 0 0 0 26 58 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 28 29 2 0 0 0 0 28 59 1 0 0 0 0 29 60 1 0 0 0 0 31 33 1 0 0 0 0 32 33 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 33 64 1 0 0 0 0 M END > (570836) 570836 $$$$