B3OR5G -OEChem-04042105373D 39 40 0 0 0 0 0 0 0999 V2000 1.3920 1.9313 -1.2749 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8600 -0.8610 -2.3877 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6368 1.8009 1.4979 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6979 -0.6751 0.6762 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6889 0.4096 -0.5589 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0604 2.7895 -0.6330 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9495 -1.7316 -0.5571 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3420 -0.3876 1.4044 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4561 -1.0341 0.0598 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2025 3.6721 -0.0843 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0616 -2.6186 1.3086 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1990 0.5545 -0.4929 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3427 -0.6661 -1.1203 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7231 0.6365 0.7811 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3039 1.6833 -0.7662 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9743 0.2583 -0.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8517 1.3094 -0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3344 2.5652 -0.2496 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4192 -1.5254 0.6881 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7429 -1.4114 0.4584 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0536 -2.1514 -2.9549 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2047 1.7930 2.8025 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8580 -2.8914 0.6057 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0132 -3.4496 0.9806 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8825 1.2426 0.2975 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7627 -1.7647 -0.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1952 3.5329 -0.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8166 4.5896 -0.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6172 -2.1452 -3.9582 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1195 -2.3828 -3.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5379 -2.9203 -2.3697 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7015 1.0643 3.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2826 1.6028 2.7622 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0556 2.7853 3.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1444 -3.4943 0.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4310 -2.5128 2.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9919 -3.5124 0.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0857 -4.5273 1.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9032 -2.8674 1.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 15 1 0 0 0 0 2 13 1 0 0 0 0 2 21 1 0 0 0 0 3 14 1 0 0 0 0 3 22 1 0 0 0 0 4 20 2 0 0 0 0 5 15 1 0 0 0 0 5 16 2 0 0 0 0 6 15 2 0 0 0 0 6 18 1 0 0 0 0 7 13 2 0 0 0 0 7 19 1 0 0 0 0 8 14 1 0 0 0 0 8 19 2 0 0 0 0 9 16 1 0 0 0 0 9 20 1 0 0 0 0 9 26 1 0 0 0 0 10 18 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 19 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 25 1 0 0 0 0 20 23 1 0 0 0 0 21 29 1 0 0 0 0 21 30 1 0 0 0 0 21 31 1 0 0 0 0 22 32 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 23 24 2 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 M END $$$$