D09TXU Wcorina 11010620293D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 65 69 0 0 0 999 V2000 0.2018 1.8782 0.1128 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5207 2.4568 1.3311 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4072 0.3747 0.3082 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0640 -0.0697 -8.3903 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9128 -1.8960 -7.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1163 -0.8131 -7.2272 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4213 -0.4847 -5.9739 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4978 2.0220 -8.5539 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5030 3.9286 -7.2764 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5905 3.0162 -7.1045 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7701 2.8437 -5.8943 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8538 1.8571 -5.8365 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9194 3.5915 -4.9466 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1338 3.9242 -8.4291 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7322 2.9496 -9.2824 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3077 2.7380 -10.6647 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5787 3.4733 -10.7586 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4106 4.8682 -10.3272 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2273 4.9162 -8.8075 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6561 0.6221 -5.8977 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1267 3.4058 -12.1199 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 1.6109 -4.6433 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0876 0.9981 -4.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7697 0.7609 -3.4888 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2092 1.1311 -2.2813 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0369 1.7409 -2.2492 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 1.9809 -3.4291 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5370 -1.2122 -5.0055 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3859 -1.8444 -8.7594 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8381 -0.6866 -9.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1391 -0.3817 -10.6699 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9665 -1.2114 -11.3925 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5063 -2.3539 -10.8125 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2257 -2.6732 -9.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5468 -3.3832 -11.7460 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5849 2.1031 -1.0588 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5406 2.5520 -0.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4505 2.4742 0.9397 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7950 3.1622 -1.0554 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0351 2.2081 2.2351 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5884 3.5402 1.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5235 2.0342 1.3933 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5496 -0.0966 0.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8198 -0.0572 -0.6036 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0979 0.2068 1.1346 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5609 0.7502 -8.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1438 -2.6589 -6.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6716 1.3176 -6.6218 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6106 3.1146 -11.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4865 1.6753 -10.8283 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5329 5.2950 -10.8126 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2942 5.4430 -10.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1602 4.6410 -8.3156 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9332 5.9210 -8.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4987 1.1585 -6.6904 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2388 2.3625 -12.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0994 3.8970 -12.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4484 3.9077 -12.8099 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7396 0.2864 -3.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 0.9448 -1.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6935 2.4559 -3.4028 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7244 0.5033 -11.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1982 -0.9728 -12.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6494 -3.5627 -9.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2947 2.9224 0.7933 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 40 1 0 0 0 0 2 41 1 0 0 0 0 2 42 1 0 0 0 0 3 43 1 0 0 0 0 3 44 1 0 0 0 0 3 45 1 0 0 0 0 4 30 1 0 0 0 0 4 6 1 0 0 0 0 4 46 1 0 0 0 0 5 29 1 0 0 0 0 5 6 2 0 0 0 0 5 47 1 0 0 0 0 6 7 1 0 0 0 0 7 28 2 0 0 0 0 7 20 1 0 0 0 0 8 15 1 0 0 0 0 8 10 1 0 0 0 0 9 14 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 22 1 0 0 0 0 12 48 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 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 20 23 1 0 0 0 0 20 55 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 59 1 0 0 0 0 25 26 1 0 0 0 0 25 60 1 0 0 0 0 26 27 2 0 0 0 0 26 36 1 0 0 0 0 27 61 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 62 1 0 0 0 0 32 33 1 0 0 0 0 32 63 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 34 64 1 0 0 0 0 37 38 1 0 0 0 0 37 39 2 0 0 0 0 38 65 1 0 0 0 0 M END $$$$