MMs01041952 MOE2007 2D CORINA 3.40 0006 02.08.2006 41 42 0 0 0 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 -0.7502 -1.2989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5487 -2.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5004 -2.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0491 -0.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0489 0.9513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3483 -1.2985 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6472 -0.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8038 0.9435 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2709 1.2556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0211 -0.0433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0176 -1.1582 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.5129 -0.1998 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.6695 1.2920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3564 -1.6916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0048 -0.3564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.6151 -1.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8862 0.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2759 2.2275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1574 3.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6492 3.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2595 1.9144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3780 0.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5307 4.4983 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5196 -0.3001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6002 1.0391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0391 0.6002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2486 -2.5687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5878 -2.6493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8488 -1.5296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5396 -1.9977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1006 -3.6370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9809 -2.8979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3485 -2.4985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7113 -1.2383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1033 -2.8228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5189 -2.2149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0825 2.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6691 4.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4530 1.7892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8663 -0.3954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 M END