BN5MI9 -OEChem-04022116483D 35 36 0 1 0 0 0 0 0999 V2000 -3.5664 1.4133 0.1988 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.2405 0.2561 0.4912 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8460 -0.4177 1.0772 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3063 -3.1465 0.6632 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5755 2.8554 0.4146 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0530 -0.0481 -0.3762 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0808 0.5834 0.2056 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3003 1.3964 0.0194 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4257 0.2203 -0.5904 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0978 0.8794 -0.8993 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3304 0.7395 0.4047 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0263 -0.8784 0.3924 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6748 -2.1857 -0.3124 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5817 -0.6938 -0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9494 1.6956 0.2278 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8749 -0.9768 -0.2105 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8526 0.1436 -0.2007 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3930 -2.3598 -0.4425 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1471 0.5236 -1.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9085 -0.1571 -1.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6016 0.3171 -1.7014 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1607 1.9169 -1.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5162 1.6046 1.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7723 -1.0979 1.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8592 -2.0789 -1.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5504 -2.5675 -0.8482 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8806 -1.5126 -0.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9447 2.1820 0.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1010 -3.9708 0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8909 -2.4233 -1.4156 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5909 -3.1055 -0.4305 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1130 -2.6339 0.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5635 0.1744 -1.9074 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3937 1.5816 -1.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0807 -0.0447 -1.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 9 1 0 0 0 0 2 19 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 13 1 0 0 0 0 4 29 1 0 0 0 0 5 15 2 0 0 0 0 6 17 2 0 0 0 0 7 11 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 15 1 0 0 0 0 8 17 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 16 2 0 0 0 0 14 27 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 M END $$$$