BM8B5I -OEChem-04022102183D 33 36 0 0 0 0 0 0 0999 V2000 -5.7243 -0.1148 0.8627 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.1161 -1.1738 1.9169 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0472 -1.2758 -0.2094 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9928 1.3143 0.0296 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5084 -0.3724 1.0347 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7035 -1.0218 -0.4084 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9335 -0.2314 0.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1937 0.3269 -0.2584 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3705 1.0564 0.2259 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2448 0.6144 -0.4396 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2960 -2.6118 -0.3976 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1092 -2.2166 -0.7677 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1098 -3.2173 -0.7495 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2970 -0.4499 0.3267 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2136 2.1257 0.5443 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1890 -0.0087 0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6580 1.5088 -1.4271 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1168 0.6329 0.6434 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5786 1.9154 0.7517 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5466 0.2626 0.2051 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0155 1.7799 -1.5986 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9598 1.1570 -0.7824 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2830 -3.0377 -0.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9337 -2.3616 -1.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9828 -4.2671 -0.9735 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7459 -1.4345 0.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8121 3.1322 0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8463 -0.6948 1.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9329 1.9987 -2.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1797 0.4775 0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2236 2.7540 0.9986 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3369 2.4757 -2.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0085 1.3924 -0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 5 2 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 11 1 0 0 0 0 4 8 2 0 0 0 0 4 9 1 0 0 0 0 5 20 1 0 0 0 0 6 8 1 0 0 0 0 6 12 2 0 0 0 0 7 9 1 0 0 0 0 7 14 2 0 0 0 0 8 10 1 0 0 0 0 9 15 2 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 11 13 2 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 14 18 1 0 0 0 0 14 26 1 0 0 0 0 15 19 1 0 0 0 0 15 27 1 0 0 0 0 16 20 1 0 0 0 0 16 28 1 0 0 0 0 17 21 2 0 0 0 0 17 29 1 0 0 0 0 18 19 2 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 20 22 2 0 0 0 0 21 22 1 0 0 0 0 21 32 1 0 0 0 0 22 33 1 0 0 0 0 M CHG 2 1 -1 5 1 M END $$$$