BT3H1C -OEChem-04022101533D 41 44 0 0 0 0 0 0 0999 V2000 -7.1823 0.6770 0.7283 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8270 0.1529 -0.6423 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7275 -1.0930 0.1413 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8302 0.8496 -0.4629 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2937 -2.0962 -0.1404 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4703 -0.4306 -0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8531 -0.8336 -0.3344 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4243 -1.4126 0.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0729 0.1910 -0.0679 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1791 0.2851 -0.2965 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4771 0.4937 0.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9984 -2.7186 0.2529 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1382 1.1482 -0.3656 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6442 -0.2337 0.9118 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0595 0.9358 -1.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3512 -3.0117 0.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9204 1.4186 0.9851 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3933 -0.1377 -0.8012 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8698 0.5486 0.3912 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9895 -0.1020 1.2557 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4049 1.0677 -0.8172 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2802 1.7119 1.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7530 0.1556 -0.6968 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1964 1.0805 0.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0278 1.3535 -0.2009 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5140 0.8043 -1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7077 -3.5057 0.4906 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3911 2.1872 -0.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9760 -0.7326 1.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7091 1.3436 -2.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7151 -4.0218 0.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2233 1.9183 1.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0665 -0.8590 -1.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3455 -0.5054 2.1997 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0338 1.5840 -1.5344 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6257 2.4311 1.8264 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4666 -0.3355 -1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2551 1.3087 0.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0354 1.3642 0.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0908 0.8158 -1.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7256 2.3979 -0.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 25 1 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 2 26 1 0 0 0 0 3 8 2 0 0 0 0 3 9 1 0 0 0 0 4 6 2 0 0 0 0 4 13 1 0 0 0 0 5 7 2 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 17 2 0 0 0 0 11 18 1 0 0 0 0 12 16 2 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 14 20 1 0 0 0 0 14 29 1 0 0 0 0 15 21 2 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 17 22 1 0 0 0 0 17 32 1 0 0 0 0 18 23 2 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 24 2 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 M END $$$$