BBNW58 -OEChem-04022105233D 44 47 0 1 0 0 0 0 0999 V2000 -2.4843 0.3920 1.1354 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2939 2.3917 0.6386 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9215 0.0430 -0.0835 N 0 3 1 0 0 0 0 0 0 0 0 0 -0.3643 -0.0056 0.0029 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0431 -1.0750 1.0507 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0934 1.3965 0.5137 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5814 -1.0989 1.1733 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2967 -0.3795 -1.3748 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5553 -2.4578 0.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8207 -0.5959 -1.3390 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2591 -1.4707 -0.1576 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4905 -1.3101 -0.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3494 1.0909 -1.0924 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0876 0.2549 1.6975 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3089 2.5071 -0.4637 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0696 -2.3885 0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5707 1.4266 0.8844 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8119 2.4798 -0.7475 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 -1.2003 -2.6588 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3617 -0.7868 2.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4116 1.6163 1.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8651 -1.8605 1.9116 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 0.3784 -2.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1542 -1.2950 -1.7702 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3226 -3.1565 1.5397 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1170 -2.8876 -0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3105 0.3802 -1.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0501 -2.5239 -0.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3494 -1.4087 -0.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1819 -1.5433 -1.4721 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5812 -1.1957 -0.4435 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4458 1.0969 -1.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0200 0.7560 -2.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1830 0.2783 1.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7548 0.4057 2.7312 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2533 2.4265 -1.4008 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0457 3.4871 -0.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4447 -3.3619 0.2082 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5354 -2.1942 1.5179 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3379 2.8547 0.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0459 3.1757 -1.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8695 -2.1884 -2.8327 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3986 -1.3103 -2.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0399 -0.5566 -3.5029 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 17 2 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 20 1 0 0 0 0 6 15 1 0 0 0 0 6 17 1 0 0 0 0 6 21 1 0 0 0 0 7 11 1 0 0 0 0 7 14 1 0 0 0 0 7 22 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 16 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 16 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 18 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 17 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 18 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 M CHG 2 1 -1 3 1 M END $$$$