MMs01325698 MOE2007 2D CORINA 3.40 0006 02.08.2006 38 41 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 -1.5000 0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2417 1.3133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4834 2.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0165 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7582 1.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2582 1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1322 0.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5617 0.5200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9853 0.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8747 1.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0007 2.4744 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5712 2.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1476 2.4926 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7417 1.3229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4999 0.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7582 -1.2752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9999 0.0382 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7581 -1.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0164 -2.5599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7747 -3.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2746 -3.8446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0163 -2.5408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2581 -1.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5163 -2.5312 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -9.0329 -5.1388 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5934 -1.0430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1066 -1.0258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0768 3.6506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6231 3.6334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7541 -1.0733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3488 -1.0962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0746 1.2477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3350 2.3659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5933 1.0812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8164 -2.5675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1813 -4.8971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8515 -0.2035 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 38 1 0 0 0 0 M END