BS3IT1 -OEChem-04022118003D 55 58 0 0 0 0 0 0 0999 V2000 1.8290 -0.7919 1.3965 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4012 4.2075 -0.8752 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.5850 2.0334 -0.6329 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9972 -6.9620 0.0436 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3933 -6.4200 -1.4730 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6487 -0.7174 0.5038 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5616 0.7314 1.5431 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5894 0.3892 0.7667 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4326 2.7779 0.4908 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4498 1.4976 1.0273 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8984 3.0839 -0.6314 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.5505 1.6883 0.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2865 -0.7861 0.6305 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9040 0.4883 0.4936 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7484 2.8411 0.2222 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5959 -0.2227 1.8701 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9753 0.2747 -0.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9253 1.7663 -0.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0755 1.5556 0.7483 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3603 4.0611 -0.0556 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5104 2.9985 -0.3454 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3032 -2.0465 0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7268 4.1469 -0.3375 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2285 0.3679 1.3264 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2811 0.9281 -1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3063 0.6021 0.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3024 -2.3192 -0.7206 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9620 -3.0944 0.8548 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9181 1.9090 -1.9712 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9432 1.5831 -0.6947 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6190 -4.6881 -0.3673 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9603 -3.6399 -1.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6200 -4.4153 0.5651 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2491 2.2363 -1.7132 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2613 -6.0649 -0.6686 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5583 -1.3141 0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0205 -1.5425 0.9357 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1553 -1.0414 2.4494 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3158 0.2950 2.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5334 0.8657 -0.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5273 -0.6333 1.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7685 4.9746 -0.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8185 1.7104 1.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1417 5.1299 -0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9259 2.3952 1.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2445 0.6815 -1.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8570 0.1016 0.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7836 -1.5206 -1.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7433 -2.8956 1.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3777 2.4175 -2.7643 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9794 1.8386 -0.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1795 -3.8315 -1.7416 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1579 -5.2006 1.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7451 3.0001 -2.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7481 -7.8872 -0.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 2 0 0 0 0 2 11 1 0 0 0 0 3 11 2 0 0 0 0 4 35 1 0 0 0 0 4 55 1 0 0 0 0 5 35 2 0 0 0 0 6 14 1 0 0 0 0 6 22 1 0 0 0 0 6 41 1 0 0 0 0 7 16 1 0 0 0 0 7 24 1 0 0 0 0 7 43 1 0 0 0 0 8 14 2 0 0 0 0 8 19 1 0 0 0 0 9 15 1 0 0 0 0 9 19 2 0 0 0 0 10 19 1 0 0 0 0 10 24 1 0 0 0 0 10 45 1 0 0 0 0 11 21 1 0 0 0 0 12 14 1 0 0 0 0 12 15 2 0 0 0 0 12 18 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 15 20 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 25 2 0 0 0 0 17 26 1 0 0 0 0 18 21 2 0 0 0 0 18 40 1 0 0 0 0 20 23 2 0 0 0 0 20 42 1 0 0 0 0 21 23 1 0 0 0 0 22 27 2 0 0 0 0 22 28 1 0 0 0 0 23 44 1 0 0 0 0 25 29 1 0 0 0 0 25 46 1 0 0 0 0 26 30 2 0 0 0 0 26 47 1 0 0 0 0 27 32 1 0 0 0 0 27 48 1 0 0 0 0 28 33 2 0 0 0 0 28 49 1 0 0 0 0 29 34 2 0 0 0 0 29 50 1 0 0 0 0 30 34 1 0 0 0 0 30 51 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 31 35 1 0 0 0 0 32 52 1 0 0 0 0 33 53 1 0 0 0 0 34 54 1 0 0 0 0 M CHG 2 2 -1 11 1 M END $$$$