BBO2V5 -OEChem-04022115223D 40 42 0 0 0 0 0 0 0999 V2000 -3.8952 0.8020 -0.7014 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1064 -0.2894 -2.2518 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5816 -1.7908 -0.7692 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0341 -0.8962 -1.9973 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7503 -1.7670 1.5869 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7658 0.4129 -0.0438 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6754 1.9654 -1.2957 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0278 -0.9004 0.2678 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7744 -0.6252 0.1461 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9794 -1.2731 0.8380 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1939 -2.0946 0.3578 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4480 0.1660 -0.5522 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1878 -1.7422 0.9057 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9258 0.5641 -0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2709 -0.8665 0.8999 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1665 -0.4809 0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 0.3452 0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9975 0.4799 -0.2944 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9409 1.3722 1.6864 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4318 0.2662 -0.1598 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2776 -0.8431 0.6451 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7609 1.6414 -0.4105 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1746 -0.6043 -1.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7043 2.5338 1.5704 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6144 2.6685 0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6132 0.9560 -0.5558 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -2.8549 0.9894 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1107 -2.5100 -0.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0935 1.0457 -0.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3600 -0.2250 -1.5733 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8185 -2.6373 0.8468 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1102 -1.4537 1.9615 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8167 1.0579 0.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3291 1.2999 -0.7174 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2342 1.2791 2.5071 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4759 1.7693 -1.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0807 -1.3876 1.1244 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5899 3.3336 2.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2086 3.5732 0.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5598 0.9104 -0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 20 1 0 0 0 0 2 23 1 0 0 0 0 3 23 1 0 0 0 0 4 23 1 0 0 0 0 5 15 2 0 0 0 0 6 26 1 0 0 0 0 6 40 1 0 0 0 0 7 26 2 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 15 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 16 1 0 0 0 0 10 16 2 0 0 0 0 10 21 1 0 0 0 0 11 13 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 18 22 2 0 0 0 0 18 23 1 0 0 0 0 19 24 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 26 1 0 0 0 0 21 37 1 0 0 0 0 22 25 1 0 0 0 0 22 36 1 0 0 0 0 24 25 2 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 M END $$$$