B8SMB6 -OEChem-04012113123D 46 49 0 1 0 0 0 0 0999 V2000 -5.1165 1.7121 1.6774 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.2319 -0.9774 -0.8874 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3453 -4.4746 0.5868 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0031 -0.6209 0.9481 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6657 2.8154 -0.5085 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7421 1.9382 0.3438 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4759 -1.2311 -1.6022 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0759 -0.4098 -1.5723 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9565 2.1482 -0.5406 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5556 -0.0171 0.5195 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4583 3.4422 -0.6076 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5765 -1.8805 0.5729 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5528 -1.6456 -0.6198 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5594 -2.8439 0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3406 -2.3748 1.8132 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7268 -2.5387 -0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6907 -0.7182 -0.3512 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5182 -3.7117 -0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5434 0.6493 -0.5954 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9022 -1.2300 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8863 -4.8354 -0.0668 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6232 1.4667 -0.3318 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8090 0.9659 0.1548 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9804 -0.3803 0.4046 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0109 3.1074 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7797 1.4192 0.2265 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8184 2.1526 0.6861 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5703 3.4205 0.1326 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3658 4.6523 0.2771 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 -2.6169 -0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0298 -1.2893 -1.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9768 -1.5815 2.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9787 -3.2416 1.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6557 -2.6272 2.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5028 -3.7504 -1.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6156 1.0609 -0.9781 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5434 -0.7591 1.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0169 -2.2954 0.3303 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2561 -5.8511 -0.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9166 -0.7711 0.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2514 -0.4044 1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9659 3.8140 0.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5504 3.5784 -0.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4361 4.9434 1.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9236 5.4910 -0.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3804 4.5020 -0.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 7 2 0 0 0 0 2 8 2 0 0 0 0 2 10 1 0 0 0 0 2 16 1 0 0 0 0 3 14 1 0 0 0 0 3 21 1 0 0 0 0 4 12 1 0 0 0 0 4 37 1 0 0 0 0 5 22 1 0 0 0 0 5 25 1 0 0 0 0 6 23 1 0 0 0 0 6 25 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 10 26 1 0 0 0 0 10 41 1 0 0 0 0 11 28 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 17 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 16 2 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 18 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 21 2 0 0 0 0 18 35 1 0 0 0 0 19 22 1 0 0 0 0 19 36 1 0 0 0 0 20 24 2 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 40 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 M END $$$$