untitled.mol corina 02131210023D 1 1.00000 0.00000 CORINA 3.49 0024 01.06.2011 37 38 0 0 0 0 0 0 0 0999 V2000 -0.0169 1.3929 0.0097 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 1.1921 2.1021 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -0.6748 -0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3939 1.4110 -0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3985 0.0299 -0.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1863 3.4591 0.0089 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3007 2.1167 0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3139 3.4109 0.0268 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7564 4.2241 0.0381 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1928 3.8480 0.8942 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7085 -0.7147 -0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1389 -0.9595 -1.4834 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4690 -1.7155 -1.4991 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8994 -1.9602 -2.9468 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2295 -2.7162 -2.9626 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6599 -2.9610 -4.4102 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9900 -3.7170 -4.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4204 -3.9617 -5.8736 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7505 -4.7177 -5.8894 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1809 -4.9625 -7.3371 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5110 -5.7185 -7.3528 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9414 -5.9632 -8.8005 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2714 -6.7192 -8.8162 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7019 -6.9640 -10.2639 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0319 -7.7200 -10.2796 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3792 3.9537 -1.2102 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3674 3.9402 1.2892 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3842 5.9464 0.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2441 6.6271 -1.1498 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9524 7.9770 -1.1475 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7996 8.6509 0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9410 7.9639 1.2567 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2383 6.6153 1.2471 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5041 10.0160 0.0636 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4053 10.4945 -0.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3976 10.4855 0.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 2 4 2 0 3 5 1 0 4 6 1 0 5 6 2 0 3 7 1 0 1 8 1 0 8 9 2 0 9 10 1 0 7 11 1 0 6 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 10 27 2 0 10 28 2 0 10 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 29 34 1 0 32 35 1 0 35 36 1 0 35 37 1 0 M END $$$$