BA80ES -OEChem-04042103533D 40 42 0 1 0 0 0 0 0999 V2000 -5.2093 -2.2666 -0.1229 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3906 1.9171 -0.2123 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2414 -2.2598 0.1819 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0006 1.6804 -0.6127 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0860 1.5728 0.4402 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0267 2.7673 -0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0992 0.6668 0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5265 -0.0040 -1.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3091 0.9409 0.9578 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1864 0.5476 0.2896 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3256 -1.2812 -0.9906 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1079 -0.3362 1.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5349 -1.0083 -0.0895 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5216 0.9511 0.3034 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8669 -0.8016 0.1372 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5373 0.0052 0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8826 -1.7475 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2179 -1.3441 0.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1068 1.0817 -1.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7828 1.7649 1.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7585 2.8585 -1.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7261 3.7164 -0.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4385 -0.0170 0.6078 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8836 2.4568 -0.9227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6554 -0.2635 -1.8652 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1403 0.6839 -1.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9796 1.3633 1.9151 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9675 1.6858 0.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6670 -2.0268 -0.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6547 -1.7021 -1.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9904 -0.0910 1.8247 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4966 -1.0260 1.8178 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2237 -0.3377 -0.6191 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7839 1.9986 0.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8311 -1.1299 0.1271 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 -2.0699 0.7397 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5680 -2.6666 -0.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5756 0.3254 0.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6206 -2.7956 -0.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8087 -3.1479 -0.2176 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 40 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 2 24 1 0 0 0 0 3 13 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 20 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 8 11 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 12 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 13 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 15 17 2 0 0 0 0 15 35 1 0 0 0 0 16 18 2 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 M END $$$$