BIE1N3 -OEChem-04022117193D 42 45 0 0 0 0 0 0 0999 V2000 -3.4682 1.5929 0.0885 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0973 -0.5722 -0.0740 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5845 -1.7149 0.1619 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5586 0.2400 -0.0027 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5136 3.0528 0.1170 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0578 -0.6180 -0.4539 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6476 -0.7356 -0.0347 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4411 -0.0379 -0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8098 0.7422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8010 1.7384 0.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -0.4786 -0.1086 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1232 1.3122 0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5123 1.1685 0.0368 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3968 -0.9354 -0.1078 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2405 -1.6811 0.3917 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8303 2.5185 0.1128 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9657 0.1335 -0.6166 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2141 3.4160 0.1503 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9510 0.4822 0.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4869 -2.7849 0.5135 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0478 -0.9391 -0.0318 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5645 -2.2331 -0.0962 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9113 0.1542 0.0349 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9449 -2.4339 -0.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2916 -0.0464 0.0375 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8085 -1.3405 -0.0269 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9135 2.0609 0.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5479 -2.0081 -0.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7310 -2.4978 0.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8211 2.9405 0.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0695 1.0941 -1.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2724 -0.7344 -0.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0341 4.4841 0.2098 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9292 -3.5881 1.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2425 -2.3874 1.1955 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9526 -3.1569 -0.4025 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0851 -1.5812 -0.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9026 -3.0938 -0.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5906 1.1847 0.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3474 -3.4414 -0.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9654 0.8041 0.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8833 -1.4967 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 9 1 0 0 0 0 2 14 2 0 0 0 0 3 6 1 0 0 0 0 3 15 1 0 0 0 0 3 20 1 0 0 0 0 4 13 1 0 0 0 0 4 19 1 0 0 0 0 4 32 1 0 0 0 0 5 10 2 0 0 0 0 5 18 1 0 0 0 0 6 17 2 0 0 0 0 7 19 1 0 0 0 0 7 21 1 0 0 0 0 7 37 1 0 0 0 0 8 11 1 0 0 0 0 8 12 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 10 12 1 0 0 0 0 11 15 2 0 0 0 0 11 17 1 0 0 0 0 12 27 1 0 0 0 0 13 16 1 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 16 18 2 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 18 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 38 1 0 0 0 0 23 25 2 0 0 0 0 23 39 1 0 0 0 0 24 26 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 M END $$$$