B1BZT4 -OEChem-04042102033D 39 41 0 0 0 0 0 0 0999 V2000 6.4168 1.4680 -0.3394 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6275 -2.4152 0.3825 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7654 1.9768 1.1747 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6392 0.8987 -0.8879 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7261 2.5460 -1.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0501 0.1152 -0.5434 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3494 2.1310 0.2391 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5885 -0.2958 0.0813 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2005 -0.7741 -0.1536 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3691 0.5639 0.2756 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8086 -0.5899 0.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9135 -1.3362 -0.1605 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2455 1.3004 0.6852 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9743 0.7260 0.6718 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6560 1.1261 0.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3240 -1.5106 -0.5631 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9759 -0.5804 0.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5173 -1.1870 0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7610 0.3797 -0.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5953 -0.9361 -0.5498 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2634 0.1738 -0.1338 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8971 0.4538 -0.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4210 -1.8949 0.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7085 -1.1407 0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7872 -2.1750 0.1731 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0869 0.9766 -0.1144 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7821 -2.3638 -0.4957 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3531 2.3278 1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1515 1.3334 1.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7875 2.1554 0.6123 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2176 -2.5409 -0.8968 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4276 -1.5528 -0.8772 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3779 0.6865 -0.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5406 1.4759 -0.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7707 -2.7478 0.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7678 -1.3816 -0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.1980 0.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4155 2.7159 1.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9402 0.5275 -0.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 21 1 0 0 0 0 2 18 2 0 0 0 0 3 38 1 0 0 0 0 6 26 1 0 0 0 0 6 39 1 0 0 0 0 7 26 2 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 9 16 1 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 11 18 1 0 0 0 0 12 27 1 0 0 0 0 13 14 2 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 15 19 2 0 0 0 0 15 30 1 0 0 0 0 16 20 2 0 0 0 0 16 31 1 0 0 0 0 17 22 2 0 0 0 0 17 23 1 0 0 0 0 19 20 1 0 0 0 0 19 26 1 0 0 0 0 20 32 1 0 0 0 0 21 22 1 0 0 0 0 21 24 2 0 0 0 0 22 34 1 0 0 0 0 23 25 2 0 0 0 0 23 35 1 0 0 0 0 24 25 1 0 0 0 0 24 36 1 0 0 0 0 25 37 1 0 0 0 0 M END $$$$