BTD8R2 -OEChem-04022102112D 50 54 0 0 0 0 0 0 0999 V2000 3.6750 -1.1207 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9483 0.5348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5471 1.5529 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -4.5132 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1349 2.3619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7281 3.2755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1294 2.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.2085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -0.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 0.6394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.9038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3159 4.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 1.3438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7336 3.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7172 3.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 -1.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -0.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -3.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.2085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9092 4.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5306 1.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3269 4.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7117 2.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9146 5.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1184 2.0483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5183 2.4267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9305 1.6177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -2.3144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.8985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9325 4.0197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1717 0.8423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3692 2.8784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4650 3.6328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4674 -1.3123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -5.1026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.3285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0016 0.3319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -3.7085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.5185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2736 5.4996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7828 0.6729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7103 4.3584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0761 3.4635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6625 5.6690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7350 1.9835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 13 2 0 0 0 0 3 5 1 0 0 0 0 3 13 1 0 0 0 0 3 32 1 0 0 0 0 4 10 1 0 0 0 0 4 23 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 31 1 0 0 0 0 6 16 2 0 0 0 0 6 18 1 0 0 0 0 7 17 2 0 0 0 0 7 19 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 21 2 0 0 0 0 11 20 2 0 0 0 0 12 13 1 0 0 0 0 12 22 2 0 0 0 0 14 23 2 0 0 0 0 14 33 1 0 0 0 0 15 24 2 0 0 0 0 15 34 1 0 0 0 0 16 25 1 0 0 0 0 16 35 1 0 0 0 0 17 26 1 0 0 0 0 17 36 1 0 0 0 0 18 27 2 0 0 0 0 18 37 1 0 0 0 0 19 28 2 0 0 0 0 19 38 1 0 0 0 0 20 22 1 0 0 0 0 20 39 1 0 0 0 0 21 24 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 25 29 2 0 0 0 0 25 45 1 0 0 0 0 26 30 2 0 0 0 0 26 46 1 0 0 0 0 27 29 1 0 0 0 0 27 47 1 0 0 0 0 28 30 1 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 M END $$$$