B3AIB1 -OEChem-04022109053D 34 37 0 0 0 0 0 0 0999 V2000 1.8033 -1.4707 0.4267 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3785 -2.2506 1.5011 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9723 -2.0387 -0.6124 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4636 2.3095 1.0412 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6943 -2.3354 0.5980 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6881 2.2790 1.0154 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0845 -0.0352 1.0493 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3243 -0.0526 1.0601 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1382 -0.1279 1.8596 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0785 -0.5561 -0.3298 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9478 0.8139 -0.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7746 1.1783 0.7154 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9747 -1.1538 0.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9699 1.1307 0.7272 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1309 -0.6302 -0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1281 0.7512 -0.0814 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1095 -1.0952 -1.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8716 1.7007 -0.6284 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0441 -0.2060 -1.6035 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9267 1.1792 -1.3844 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1059 -1.2965 -0.9206 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1001 1.5392 -0.6627 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1017 -0.5185 -1.5181 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0987 0.8857 -1.3905 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1375 -1.0714 2.4163 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1441 0.6861 2.5929 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1982 -2.1621 -1.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7908 2.7701 -0.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8734 -0.5855 -2.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6672 1.8518 -1.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1081 -2.3756 -1.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0979 2.6185 -0.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8903 -1.0005 -2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8852 1.4661 -1.8658 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 7 1 0 0 0 0 1 10 1 0 0 0 0 4 12 2 0 0 0 0 5 13 2 0 0 0 0 6 14 2 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 14 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 17 2 0 0 0 0 11 12 1 0 0 0 0 11 18 2 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 16 1 0 0 0 0 15 21 2 0 0 0 0 16 22 2 0 0 0 0 17 19 1 0 0 0 0 17 27 1 0 0 0 0 18 20 1 0 0 0 0 18 28 1 0 0 0 0 19 20 2 0 0 0 0 19 29 1 0 0 0 0 20 30 1 0 0 0 0 21 23 1 0 0 0 0 21 31 1 0 0 0 0 22 24 1 0 0 0 0 22 32 1 0 0 0 0 23 24 2 0 0 0 0 23 33 1 0 0 0 0 24 34 1 0 0 0 0 M END $$$$