BKXB96 -OEChem-04012117092D 29 31 0 0 0 0 0 0 0999 V2000 5.1357 1.0241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0617 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 0.5342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4781 0.8047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6658 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4781 -0.8047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5319 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5319 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6658 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9059 1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9998 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9059 -1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9998 -0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0617 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 0.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 1.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6658 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9130 1.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6707 1.3940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9130 -1.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6707 -1.3940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.8329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8674 0.0541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6645 0.0510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8040 1.5042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0070 1.5073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 17 1 0 0 0 0 2 16 2 0 0 0 0 3 18 1 0 0 0 0 3 29 1 0 0 0 0 4 8 1 0 0 0 0 4 16 1 0 0 0 0 4 21 1 0 0 0 0 5 9 2 0 0 0 0 5 10 1 0 0 0 0 6 10 1 0 0 0 0 6 16 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 14 1 0 0 0 0 11 19 1 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 15 1 0 0 0 0 14 15 2 0 0 0 0 14 22 1 0 0 0 0 15 24 1 0 0 0 0 17 18 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 M END $$$$