BHB3S9 -OEChem-04022116073D 43 46 0 0 0 0 0 0 0999 V2000 4.2713 -0.6672 1.6083 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0874 -0.4589 2.7899 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1256 -1.5540 1.6511 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8775 1.1270 0.3412 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5977 1.4126 0.0007 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8365 0.8717 0.9716 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7216 0.0056 0.7379 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9527 1.3403 1.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8679 0.3930 -0.3683 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3695 -1.0238 -0.4546 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7044 -1.2549 -0.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5377 0.6864 -0.7139 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4734 -0.1072 0.3389 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8406 0.9204 -0.0533 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5137 0.6412 0.2744 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1814 1.2424 -1.3671 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8690 1.0066 -2.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5846 -2.0889 -0.9048 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2413 -2.5422 -0.1321 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8392 1.9954 0.7646 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1956 1.2856 -2.3529 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1266 -3.3753 -0.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4478 -3.6019 -0.5695 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5946 1.5453 -1.7449 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6087 3.4436 0.9118 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3596 -1.2430 0.3244 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2377 0.4034 1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1077 1.0426 -2.7997 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 -1.9513 -1.2134 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2712 -2.7329 0.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4441 1.5332 -3.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6033 1.5484 0.8743 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5153 -4.2049 -1.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8604 -4.6058 -0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0360 2.2918 -1.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2043 0.6394 -1.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6529 1.9673 -2.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5168 3.9448 1.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8148 3.6395 1.6393 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3236 3.8919 -0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7883 -1.3986 -0.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1625 -0.5175 0.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7834 -2.1956 0.6515 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 $$$$