B57JTL -OEChem-04042103233D 37 39 0 1 0 0 0 0 0999 V2000 -2.0460 1.7350 -1.6372 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7687 -1.9363 1.5414 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8157 -1.7364 -0.3334 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4836 0.8078 0.8545 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0301 2.5298 0.6398 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5055 -0.1719 0.3574 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9990 -0.7842 -0.9813 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3006 -1.5876 -0.7958 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4963 -1.2915 1.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1119 0.2622 -2.0867 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9213 0.4028 0.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1452 -2.5937 0.3353 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1448 1.6267 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9999 -0.4132 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1283 1.7553 0.5461 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2856 0.1233 -0.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4140 2.2918 0.4764 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4928 1.4759 0.1355 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9742 -2.4958 -0.6735 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 -1.5183 -1.3475 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5582 -2.1119 -1.7232 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1368 -0.9193 -0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2793 -0.8610 2.4211 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2458 -2.0772 1.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1112 0.5933 -2.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5694 -0.1754 -2.9808 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0981 -3.1019 0.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4029 -3.3619 0.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3276 2.4306 0.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1705 -0.4482 -0.3934 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5763 3.3443 0.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1938 2.5842 1.6392 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5463 3.1694 0.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4935 1.8947 0.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6426 -3.5237 -0.8537 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6897 -2.5340 0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4302 -2.1419 -1.6043 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 13 1 0 0 0 0 2 9 1 0 0 0 0 2 12 1 0 0 0 0 3 14 1 0 0 0 0 3 19 1 0 0 0 0 4 6 1 0 0 0 0 4 13 2 0 0 0 0 5 13 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 20 1 0 0 0 0 8 12 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 14 1 0 0 0 0 11 15 2 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 14 16 2 0 0 0 0 15 17 1 0 0 0 0 15 29 1 0 0 0 0 16 18 1 0 0 0 0 16 30 1 0 0 0 0 17 18 2 0 0 0 0 17 31 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 M END $$$$