D0BV3B Wcorina 11010620233D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 68 72 0 1 0 999 V2000 0.1038 1.5490 -0.0602 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9937 3.9807 1.2793 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4544 3.5298 1.3187 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4630 1.9962 1.2887 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8968 1.4761 1.4187 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5090 1.9671 2.7309 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5279 3.4975 2.7367 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0954 4.0191 2.6208 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4974 2.0616 -0.2927 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6738 3.5694 -0.0269 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1795 3.6471 0.2355 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6154 2.4495 0.6613 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5348 1.4941 0.6952 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8670 4.6290 0.0834 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0129 0.1206 0.2198 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 4.1801 -0.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9913 3.9395 0.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8041 1.8336 -1.3135 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1226 3.9747 3.9876 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1234 0.0428 -0.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1507 1.6040 2.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4903 -0.5986 -1.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4711 -2.0743 -1.1379 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 -2.7522 -0.1873 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2064 -4.0670 -0.1869 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4182 -4.8010 -1.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0962 -4.1213 -2.2132 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1246 -2.7414 -2.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3645 -6.2825 -1.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8769 -6.9644 -2.2038 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8445 -8.2812 -2.2383 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2711 -9.0044 -1.2089 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2767 -8.3305 -0.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 -6.9476 -0.1158 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4612 4.0870 4.0976 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0078 4.5255 5.2472 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1747 3.7924 3.1592 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4559 4.6214 5.2941 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8888 5.1339 6.6692 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5453 1.9180 -0.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0306 5.0675 1.3546 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5249 3.5477 2.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4921 1.8416 0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8892 0.3862 1.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5278 1.5901 2.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9116 1.6071 3.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1166 3.8576 1.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5073 3.6534 3.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1046 5.1090 2.6328 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1096 1.4294 1.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9040 -0.1670 0.7778 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2265 -0.6155 0.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2489 0.1660 -0.8433 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5531 4.2098 4.7368 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6370 -0.5144 0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0039 -0.0414 -1.8621 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7319 -4.5837 0.6025 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5888 -4.6635 -3.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6387 -2.1846 -2.9458 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2720 -8.8027 -3.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2501 -10.0835 -1.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7298 -8.8734 0.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6457 -6.3914 0.7109 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7994 5.3123 4.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8910 3.6374 5.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5453 4.4430 7.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4537 6.1179 6.8437 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9758 5.2059 6.7044 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 9 1 0 0 0 0 1 4 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 10 1 0 0 0 0 2 41 1 0 0 0 0 2 42 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 17 1 0 0 0 0 4 21 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 6 7 1 0 0 0 0 6 45 1 0 0 0 0 6 46 1 0 0 0 0 7 19 1 0 0 0 0 7 8 1 0 0 0 0 7 47 1 0 0 0 0 8 48 1 0 0 0 0 8 49 1 0 0 0 0 9 18 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 16 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 13 50 1 0 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 19 35 1 0 0 0 0 19 54 1 0 0 0 0 20 22 2 0 0 0 0 20 55 1 0 0 0 0 22 23 1 0 0 0 0 22 56 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 29 1 0 0 0 0 27 28 2 0 0 0 0 27 58 1 0 0 0 0 28 59 1 0 0 0 0 29 30 2 0 0 0 0 29 34 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 60 1 0 0 0 0 32 33 1 0 0 0 0 32 61 1 0 0 0 0 33 34 2 0 0 0 0 33 62 1 0 0 0 0 34 63 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 38 64 1 0 0 0 0 38 65 1 0 0 0 0 39 66 1 0 0 0 0 39 67 1 0 0 0 0 39 68 1 0 0 0 0 M END $$$$