B9V1IQ -OEChem-04022104073D 42 46 0 0 0 0 0 0 0999 V2000 -4.0850 0.9228 -2.0074 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3336 -1.1881 -0.3285 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8674 -2.6438 0.0606 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1677 -0.3078 0.1238 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3865 0.5691 -0.0082 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7898 0.8728 1.0942 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1691 0.7623 1.1080 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1030 0.7486 0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0472 -1.8503 -0.1145 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8845 -0.7350 -0.0875 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5879 -1.6496 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6397 2.1564 0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2313 -0.0821 0.3815 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5805 -3.1405 -0.2243 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2689 -0.9247 -0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0663 3.0665 0.9875 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7783 2.5707 -0.9953 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9611 -3.3152 -0.3095 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8055 -2.2082 -0.2824 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5834 -0.2698 0.4045 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9569 -0.6654 0.2186 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6313 4.3910 0.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3433 3.8950 -1.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7699 4.8052 -0.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7246 -0.1832 -0.8412 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5150 -1.5565 1.1353 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0505 -0.5919 -0.9846 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8410 -1.9652 0.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6088 -1.4829 -0.0679 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9401 -4.0180 -0.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9400 -0.0690 -0.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7346 2.7561 1.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4472 1.8786 -1.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3778 -4.3145 -0.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8811 -2.3430 -0.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9627 5.0995 1.6925 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3254 4.2182 -1.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4314 5.8365 -0.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9328 -1.9425 1.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6630 -0.2260 -1.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2758 -2.6587 1.7058 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6412 -1.8012 -0.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 13 1 0 0 0 0 2 20 1 0 0 0 0 3 11 2 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 5 8 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 13 2 0 0 0 0 7 20 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 2 0 0 0 0 10 15 2 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 14 18 1 0 0 0 0 14 30 1 0 0 0 0 15 19 1 0 0 0 0 15 31 1 0 0 0 0 16 22 1 0 0 0 0 16 32 1 0 0 0 0 17 23 2 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 21 25 1 0 0 0 0 21 26 2 0 0 0 0 22 24 2 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 25 27 2 0 0 0 0 26 28 1 0 0 0 0 26 39 1 0 0 0 0 27 29 1 0 0 0 0 27 40 1 0 0 0 0 28 29 2 0 0 0 0 28 41 1 0 0 0 0 29 42 1 0 0 0 0 M END $$$$