BHB3S9 -OEChem-04022102222D 43 46 0 0 0 0 0 0 0999 V2000 7.8600 -2.8516 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.3600 -3.7176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3600 -1.9856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 0.6484 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 0.1484 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 -2.3516 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5836 1.9531 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1484 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 1.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 2.1484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 0.1484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 1.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 -1.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -0.8516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -0.8516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 0.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1719 2.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3798 3.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5836 0.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 0.1484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1799 3.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2778 3.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 -1.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2729 -0.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 -3.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5910 -1.1616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 1.2684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7052 1.8390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8393 3.4937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3969 0.4584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4570 -2.6616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7180 3.5048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2754 4.3376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4160 -1.8886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2629 -1.6616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0360 -0.8147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6836 -0.4143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0803 -1.1962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8623 -0.7995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4160 -3.8886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2629 -3.6616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0360 -2.8147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 26 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 4 20 1 0 0 0 0 5 9 2 0 0 0 0 6 14 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 13 2 0 0 0 0 8 20 2 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 18 2 0 0 0 0 11 13 1 0 0 0 0 11 19 2 0 0 0 0 12 15 2 0 0 0 0 12 17 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 27 1 0 0 0 0 16 21 1 0 0 0 0 16 24 1 0 0 0 0 17 21 2 0 0 0 0 17 28 1 0 0 0 0 18 22 1 0 0 0 0 18 29 1 0 0 0 0 19 23 1 0 0 0 0 19 30 1 0 0 0 0 20 25 1 0 0 0 0 21 31 1 0 0 0 0 22 23 2 0 0 0 0 22 33 1 0 0 0 0 23 34 1 0 0 0 0 24 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 M END $$$$