MMs01368498 MOE2007 2D CORINA 3.40 0006 02.08.2006 51 53 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 -1.4999 -0.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2389 -1.3181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4779 -2.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 -1.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2609 -1.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 0.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4998 0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2608 -1.2544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2388 1.3435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7387 1.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4777 2.6616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 3.9543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9776 2.6744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7166 3.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2165 3.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9555 5.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1945 6.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6945 6.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9556 5.2723 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9334 7.8958 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.9775 2.6998 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.7388 -1.3308 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7261 -2.8308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7516 0.1691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2388 -1.3435 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9777 -2.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4777 -2.6616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2387 -1.3690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4997 -0.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9998 -0.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5912 1.0443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1087 1.0214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0691 -3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6308 -3.6321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8697 -2.3140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3911 1.0596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5404 0.1728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8698 0.9554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5864 1.6403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1554 5.3080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0857 7.6118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8467 -3.0497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1761 -3.8324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2593 -3.8416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6018 -3.0816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6308 0.3372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3014 1.1198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8757 0.3691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2182 1.1290 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 33 1 0 0 0 0 2 3 2 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 23 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 27 32 1 0 0 0 0 28 29 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 29 30 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 M END