MMs01792852 MOE2007 2D CORINA 3.40 0006 02.08.2006 40 42 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0112 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2822 2.2597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5868 1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3046 -0.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8802 2.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8690 3.7790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1848 1.5388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4782 2.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7828 1.5582 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7828 2.7582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9507 0.0677 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2613 -1.0914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4203 -0.2332 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.5794 -0.5438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1605 1.0714 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.4711 2.2305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1485 2.1786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6511 1.2393 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5418 0.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0324 0.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6322 1.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1228 1.7432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7415 2.7821 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2214 3.8820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2509 2.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3602 3.8211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9231 -1.0065 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 10.0406 -1.5989 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.8436 -0.9443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0347 -0.6078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0549 2.0922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2732 3.4596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 -0.5728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3136 -1.9402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 3.2120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2426 3.2235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0619 -1.0674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1018 -2.1162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 31 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 30 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 27 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 29 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 31 40 1 0 0 0 0 M END