BM5EJ3 -OEChem-04022105092D 42 46 0 1 0 0 0 0 0999 V2000 7.2566 0.4660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -0.6907 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 1.0041 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.4569 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6522 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8589 2.1692 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9998 3.1592 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1504 4.0462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 1.4166 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1148 2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3088 1.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4497 2.8222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 0.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -0.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 0.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -0.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7391 1.3277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1195 4.0008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4020 4.6129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5307 4.0639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0496 1.0269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8512 2.8695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5577 2.0362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1860 1.2244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9199 1.7270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0607 2.7171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5725 3.4299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6707 0.0046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2177 1.2594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7144 -0.2805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -2.6522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -4.0462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.8422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.4622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9 1 1 6 0 0 0 1 13 1 0 0 0 0 1 35 1 0 0 0 0 2 13 1 0 0 0 0 2 14 2 0 0 0 0 3 13 2 0 0 0 0 3 15 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 4 39 1 0 0 0 0 5 20 1 0 0 0 0 5 23 2 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 24 1 6 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 7 25 1 6 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 15 17 2 0 0 0 0 15 36 1 0 0 0 0 16 18 1 0 0 0 0 16 19 2 0 0 0 0 17 37 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 38 1 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 M END $$$$