BWPB96 -OEChem-04012113442D 40 43 0 0 0 0 0 0 0999 V2000 9.4140 1.6610 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5952 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7657 0.4062 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1890 2.3608 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2916 2.2600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8867 0.5368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2790 -1.6100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2291 -0.6626 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2385 1.3055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9140 0.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9140 0.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6050 1.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5990 -0.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2231 1.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5896 1.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9094 0.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6195 -0.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2086 -0.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9414 0.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6040 1.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2374 0.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9395 -2.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2985 -1.8066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9547 1.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6267 1.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2600 0.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9773 1.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0326 -0.9162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7955 -0.9162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5474 0.6680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0206 2.1598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4267 -0.5825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4740 -2.7703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3490 -2.8264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 -1.9513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1767 -1.1987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6906 -1.9285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4204 -2.4145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4374 2.5028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8434 -0.2396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 27 1 0 0 0 0 3 27 1 0 0 0 0 4 27 1 0 0 0 0 5 15 2 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 18 1 0 0 0 0 7 13 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 11 1 0 0 0 0 8 18 2 0 0 0 0 9 14 2 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 12 15 1 0 0 0 0 13 17 1 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 17 19 2 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 20 25 1 0 0 0 0 20 31 1 0 0 0 0 21 26 2 0 0 0 0 21 32 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 M END $$$$