BN1HJ5 -OEChem-04042104433D 81 85 0 1 0 0 0 0 0999 V2000 -3.4197 -2.3957 -3.8962 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.7382 -3.4246 1.6428 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3064 2.2272 -2.8988 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8077 -2.4743 1.8515 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9694 -4.7076 1.0179 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1019 -1.4096 2.5956 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8263 -3.1029 1.7383 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3227 0.8215 -1.3957 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4560 -2.6368 0.8220 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 3.1494 -0.9125 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0737 -1.4206 -3.1530 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3222 -0.5193 -1.1386 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9973 5.4818 0.8127 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1361 7.3595 1.4328 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1427 6.8028 2.5417 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2529 -0.8488 1.4370 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0942 -0.7058 -1.0524 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9259 -1.4595 -0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8768 -1.4900 -1.5394 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4578 0.5710 -0.5044 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9912 -0.3969 -2.1539 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1054 -0.6043 0.4638 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4400 -2.7866 -0.5908 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9800 -1.3707 1.4517 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3245 -3.5194 0.4135 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4753 -0.7641 -2.1136 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8512 2.0734 -1.7971 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0378 3.0347 0.5509 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9038 4.5085 -1.4449 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9422 -3.7078 3.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3711 4.2287 1.2323 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5664 5.5352 -0.5339 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5150 -1.0416 -1.5722 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3857 -1.6060 -2.8193 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7228 -0.9926 -0.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0464 6.5548 1.6368 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3616 -2.1756 -0.4343 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2608 0.2383 -0.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5383 -2.1279 0.3129 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4377 0.2861 0.3171 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0764 -0.8970 0.6885 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0309 -1.9063 1.9017 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0032 -2.3806 3.1405 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7148 -0.4496 -1.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2930 -1.6877 0.8516 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3711 -1.9817 -0.6978 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1285 -2.2593 -2.2767 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0647 0.4186 0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1506 1.4170 -0.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2932 -0.2136 -3.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7474 0.3095 0.9511 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7145 -0.2947 -0.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0115 -2.5981 -1.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6057 -3.4442 -0.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8329 -0.7416 1.7258 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3991 -1.5865 2.3544 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7318 -3.8095 1.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7050 -4.4272 -0.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6294 -1.7169 -4.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5361 2.1101 0.8526 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0891 2.9809 0.8548 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3509 4.5391 -2.4451 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1657 4.7259 -1.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0351 -4.2962 3.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7392 -2.7606 3.7025 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6397 -4.2817 3.8193 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 4.2611 0.9814 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4528 4.1018 2.3184 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6432 5.3327 -0.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4252 6.5284 -0.9772 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9541 -3.1455 -0.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7759 1.1701 -0.7119 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2708 8.1983 1.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8895 7.1152 0.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3999 7.6652 3.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9754 -3.0841 0.5652 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8458 1.2522 0.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5885 0.0812 1.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8019 -1.8469 3.6625 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4809 -3.0206 3.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4459 -2.9780 2.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 9 1 0 0 0 0 2 30 1 0 0 0 0 3 27 2 0 0 0 0 6 42 1 0 0 0 0 6 43 1 0 0 0 0 7 42 2 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 8 27 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 26 1 0 0 0 0 11 34 1 0 0 0 0 11 59 1 0 0 0 0 12 26 2 0 0 0 0 12 33 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 13 36 1 0 0 0 0 14 36 1 0 0 0 0 14 73 1 0 0 0 0 14 74 1 0 0 0 0 15 36 2 0 0 0 0 15 75 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 16 78 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 17 44 1 0 0 0 0 18 22 1 0 0 0 0 18 23 1 0 0 0 0 18 45 1 0 0 0 0 19 21 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 26 1 0 0 0 0 21 50 1 0 0 0 0 22 24 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 25 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 28 31 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 32 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 30 66 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 32 69 1 0 0 0 0 32 70 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 37 2 0 0 0 0 35 38 1 0 0 0 0 37 39 1 0 0 0 0 37 71 1 0 0 0 0 38 40 2 0 0 0 0 38 72 1 0 0 0 0 39 41 2 0 0 0 0 39 76 1 0 0 0 0 40 41 1 0 0 0 0 40 77 1 0 0 0 0 43 79 1 0 0 0 0 43 80 1 0 0 0 0 43 81 1 0 0 0 0 M END $$$$