B4IUM2 -OEChem-04012113493D 44 47 0 1 0 0 0 0 0999 V2000 -4.1757 0.5766 -1.6020 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.8081 4.4340 1.3521 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1504 1.9638 0.5481 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2412 -3.3570 1.1570 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4946 -1.5691 0.4748 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3033 -1.8141 -0.2507 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2383 2.3264 -0.0873 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1477 -0.7787 -1.8475 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2672 -0.7072 -1.2268 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5829 -2.2252 -1.5804 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1572 0.2523 -1.3026 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0596 -2.5724 -0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8177 0.7985 0.0942 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5750 0.6351 -0.6105 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5878 1.3673 0.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4370 -2.1937 0.4595 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8615 1.1691 -0.6699 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9689 2.5508 0.7156 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2828 2.9817 0.6008 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5295 0.8720 0.4315 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6021 -0.2796 1.2329 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5787 1.1351 -0.4648 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3552 -3.8247 1.9257 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6933 -1.1436 1.1407 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6697 0.2710 -0.5572 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7270 -0.8683 0.2457 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0884 -0.6246 -2.9331 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9913 -0.9665 -2.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6660 -2.3772 -1.5744 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1642 -2.8713 -2.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1612 1.0933 -2.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1531 -0.1937 -1.3692 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2362 -3.6472 -0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5446 -2.2385 0.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8187 -0.0041 0.8374 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2648 3.1383 1.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8174 -0.5136 1.9486 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5541 2.0172 -1.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0586 -4.7515 2.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2056 -4.0350 1.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6255 -3.0873 2.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7392 -2.0294 1.7674 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4747 0.4849 -1.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5767 -1.5408 0.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 19 1 0 0 0 0 3 13 1 0 0 0 0 3 20 1 0 0 0 0 4 16 1 0 0 0 0 4 23 1 0 0 0 0 5 16 2 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 6 16 1 0 0 0 0 7 17 1 0 0 0 0 7 19 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 27 1 0 0 0 0 9 14 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 15 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 17 2 0 0 0 0 15 18 2 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 24 1 0 0 0 0 21 37 1 0 0 0 0 22 25 2 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 26 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 M END $$$$