MMs01949622 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 46 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 1.5000 0.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 -1.2918 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0542 -1.2918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5084 -2.5932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -1.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5084 -2.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0083 -2.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7542 -1.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2541 -1.2724 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0083 -2.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2625 -3.8705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5083 -2.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2625 -3.8608 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.7625 -3.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6403 -2.6396 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2810 -6.2091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0683 -3.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0732 -4.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6481 -5.0666 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.3746 -5.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6712 -4.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6664 -3.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3649 -2.3443 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.9727 -5.3359 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0039 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0039 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2878 1.1859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6263 0.4189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4672 -1.9966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9117 -3.6344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5495 -3.1899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9117 -3.6247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6117 -3.6160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5966 1.0605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8966 1.0518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8508 -0.2313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2961 -1.3831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6346 -2.1501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3785 -6.5443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7037 -2.4868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 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 15 42 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 26 2 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 M END