BWBH45 -OEChem-04022107422D 29 29 0 1 0 0 0 0 0999 V2000 5.3122 0.3952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4712 -0.8920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -0.5527 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.0064 0.7553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 0.0351 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0000 0.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 0.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 0.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2212 -1.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3968 -1.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 -0.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2633 0.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7150 -0.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4336 0.2872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.5019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9155 1.1150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2442 1.6027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3738 1.6027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7026 1.1150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7196 -0.9973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8568 -1.8633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7228 -1.7262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8952 -1.7262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7612 -1.8633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8984 -0.9973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2780 -0.8214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0577 -0.6557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5961 0.5637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8775 1.3617 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 12 2 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 12 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 1 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 M CHG 1 3 1 M END $$$$