BDTC90 -OEChem-04022107343D 46 48 0 0 0 0 0 0 0999 V2000 3.9580 -0.3163 -0.0779 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6586 -2.1846 -1.5333 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8966 -0.7583 0.9449 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3025 -0.4824 -1.4832 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8538 2.3882 1.4572 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6947 -3.2298 -1.2005 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5779 1.3261 0.2013 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1011 2.4174 -0.6881 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2110 -2.9259 0.5709 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4230 -1.1074 0.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1261 2.1730 -0.9119 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1416 3.2182 -0.4063 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5403 -1.2846 -0.8804 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3441 -1.9152 -0.6147 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0302 -2.3529 0.6538 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0918 -1.5590 1.4845 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8731 -2.1957 1.7306 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9031 2.6227 0.2543 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3937 1.8844 -0.4692 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0547 0.9714 1.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9420 0.8342 -0.0387 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7805 1.4964 0.8135 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2810 1.7471 -1.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5551 1.2219 -1.3215 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6313 -2.8272 -0.7457 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4470 0.5634 2.4107 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3114 0.2752 0.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6410 1.5663 -1.6831 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9970 2.6655 -1.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0213 1.8072 0.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6261 3.8601 0.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8445 3.8768 -1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7691 -0.9411 -1.8826 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7771 -1.4128 2.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6113 -2.5433 2.7227 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1003 2.6654 -1.6543 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7204 -3.3423 1.3403 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1354 1.5767 1.6767 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9917 2.0448 -2.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2336 1.1213 -2.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6418 0.7360 3.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6840 -0.5051 2.4431 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3138 1.1391 2.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2557 -0.7479 0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8817 0.8974 0.8643 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8787 0.2363 -0.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 14 1 0 0 0 0 2 25 1 0 0 0 0 5 18 2 0 0 0 0 6 25 2 0 0 0 0 7 11 1 0 0 0 0 7 30 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 36 1 0 0 0 0 9 15 1 0 0 0 0 9 25 1 0 0 0 0 9 37 1 0 0 0 0 10 13 2 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 18 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 15 17 1 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 20 26 1 0 0 0 0 21 24 1 0 0 0 0 21 27 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 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 27 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 M END $$$$