B1BGJ4 -OEChem-04012114253D 42 44 0 0 0 0 0 0 0999 V2000 -3.0009 2.0198 -1.8551 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8849 2.1169 2.0309 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6924 -3.7523 -2.7882 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4652 -2.9226 2.7352 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.5561 0.1582 1.7263 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6995 1.0056 -1.8031 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.0002 0.0210 1.7305 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7771 -0.1907 2.8979 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9472 1.3880 -2.4365 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6734 0.3080 -2.5526 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1443 1.7476 1.1810 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0282 2.3861 -1.0049 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8415 1.9109 0.6113 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7251 2.2252 -0.4355 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0210 -0.9649 0.4299 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2066 -0.1226 -0.4998 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6614 2.0444 -0.7654 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 2.0915 0.9411 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7383 1.9345 1.4646 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3781 2.2016 -1.2888 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7477 -1.4669 0.4943 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9089 -1.2714 -0.5675 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2978 -1.0458 -0.0539 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4804 -0.0114 -0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3322 -2.3388 -0.5121 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4935 -2.1434 -1.5738 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6915 -1.9217 0.9577 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8742 -0.8873 1.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2051 -2.6770 -1.5463 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9797 -1.8424 1.4867 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8889 2.2313 0.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6848 2.8796 -0.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8792 1.8390 2.5389 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2386 2.3167 -2.3617 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0566 -1.2166 1.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9104 -0.8576 -0.6127 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2943 -1.1049 -0.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1860 0.7322 -0.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3334 -2.7633 -0.4732 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1834 -2.3956 -2.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9824 -2.6587 1.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8802 -0.8120 1.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 18 1 0 0 0 0 3 29 1 0 0 0 0 4 30 1 0 0 0 0 5 7 2 0 0 0 0 5 8 2 0 0 0 0 5 11 1 0 0 0 0 5 15 1 0 0 0 0 6 9 2 0 0 0 0 6 10 2 0 0 0 0 6 12 1 0 0 0 0 6 16 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 13 17 2 0 0 0 0 13 19 1 0 0 0 0 14 18 1 0 0 0 0 14 20 2 0 0 0 0 15 21 2 0 0 0 0 15 22 1 0 0 0 0 16 23 2 0 0 0 0 16 24 1 0 0 0 0 17 20 1 0 0 0 0 18 19 2 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 21 25 1 0 0 0 0 21 35 1 0 0 0 0 22 26 2 0 0 0 0 22 36 1 0 0 0 0 23 27 1 0 0 0 0 23 37 1 0 0 0 0 24 28 2 0 0 0 0 24 38 1 0 0 0 0 25 29 2 0 0 0 0 25 39 1 0 0 0 0 26 29 1 0 0 0 0 26 40 1 0 0 0 0 27 30 2 0 0 0 0 27 41 1 0 0 0 0 28 30 1 0 0 0 0 28 42 1 0 0 0 0 M END $$$$