BBH80J -OEChem-04012117252D 45 47 0 0 0 0 0 0 0999 V2000 4.5274 3.3967 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.6895 -0.5471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3979 -1.7011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3359 1.1485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7527 -1.1595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3991 0.5361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0274 1.8578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 1.8578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3364 2.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7183 2.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7123 1.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7328 1.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3518 3.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 1.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0547 2.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 3.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 1.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3780 0.7402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0443 -0.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0232 0.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7316 -0.9554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6684 -0.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0852 -2.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3347 -1.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7515 -3.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5139 0.4857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5365 3.6330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 0.4857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6607 2.4037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5182 3.6330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 0.8194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 2.4037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2052 -0.0528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5719 1.3291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1955 -0.0164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4384 0.2328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5389 -2.3578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7016 -3.1380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8724 -1.5018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7478 -1.5510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7971 -0.6756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2891 -3.8097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1645 -3.8590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2138 -2.9836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 21 1 0 0 0 0 2 23 1 0 0 0 0 3 22 1 0 0 0 0 3 24 1 0 0 0 0 4 21 2 0 0 0 0 5 22 2 0 0 0 0 6 12 1 0 0 0 0 6 19 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 11 1 0 0 0 0 8 10 1 0 0 0 0 8 14 2 0 0 0 0 9 13 1 0 0 0 0 10 16 2 0 0 0 0 11 12 2 0 0 0 0 11 27 1 0 0 0 0 12 15 1 0 0 0 0 13 15 2 0 0 0 0 13 28 1 0 0 0 0 14 17 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 16 18 1 0 0 0 0 16 31 1 0 0 0 0 17 18 2 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 23 25 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 26 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 M END $$$$