BDTB96 -OEChem-04022116493D 24 25 0 0 0 0 0 0 0999 V2000 4.1651 0.3652 -0.0142 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4687 -1.6158 0.0056 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4508 0.5490 0.0208 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2176 1.5150 -0.0062 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6495 -1.2686 -0.0194 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9627 0.1675 0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1424 -0.5342 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5868 -0.3951 0.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8240 0.3162 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5058 -1.9558 0.0062 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7299 1.3710 0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5303 1.5693 -0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3302 -0.9735 -0.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0951 1.1075 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4998 -0.2175 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1749 1.5289 0.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1066 -2.4597 -0.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5920 -2.0915 0.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1052 -2.4523 0.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3855 2.4017 0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1603 2.4459 -0.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7236 -1.8676 -0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8196 1.9138 0.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5535 -0.4762 -0.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 2 8 2 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 16 1 0 0 0 0 4 6 1 0 0 0 0 4 12 2 0 0 0 0 5 13 1 0 0 0 0 5 15 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 14 2 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 15 24 1 0 0 0 0 M END $$$$