BL1JX8 -OEChem-04022108412D 42 44 0 0 0 0 0 0 0999 V2000 5.7490 -1.0953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 0.4047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0170 -1.0953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9820 0.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7840 0.8385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 -0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7595 1.8135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0065 1.8135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0169 -2.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1509 -0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3830 2.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3830 2.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2295 0.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5365 0.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 2.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9970 2.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1509 -2.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2849 -1.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2318 0.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5342 0.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7660 1.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2290 -2.6779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6275 -1.9877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5495 -0.1204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7524 -0.1204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1140 3.1539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6520 3.1539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3744 -0.4844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3916 -0.4845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 2.7418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1280 2.7418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8409 -2.0584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6140 -2.9053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4609 -3.1322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9749 -0.5584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7480 -1.4053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5949 -1.6322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7789 -0.0057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9871 -0.0058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 1.6183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3578 1.6182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 7 1 0 0 0 0 4 13 2 0 0 0 0 5 8 1 0 0 0 0 5 14 2 0 0 0 0 7 11 1 0 0 0 0 7 15 2 0 0 0 0 8 12 1 0 0 0 0 8 16 2 0 0 0 0 9 17 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 18 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 12 2 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 13 19 1 0 0 0 0 13 29 1 0 0 0 0 14 20 1 0 0 0 0 14 30 1 0 0 0 0 15 21 1 0 0 0 0 15 31 1 0 0 0 0 16 22 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 21 2 0 0 0 0 19 39 1 0 0 0 0 20 22 2 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 M END $$$$