MMs00054613 MOE2007 2D CORINA 3.40 0006 02.08.2006 39 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 0.7592 -1.2937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2592 -1.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 0.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2591 -1.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5184 -2.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0185 -2.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2777 -3.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7776 -3.8489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5183 -2.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7591 -1.2509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7548 -0.1290 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1294 -0.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9833 -2.2222 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.4231 0.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7275 -0.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7382 -2.2108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0211 0.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0104 1.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3041 2.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6084 1.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6191 0.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3255 -0.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3362 -2.1922 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0349 0.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6074 1.0349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0349 -0.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3925 1.0563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0925 1.0756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4259 -3.6201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1530 -4.2780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4945 -5.0398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5777 -5.0321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9082 -4.2512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4145 1.2299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9669 2.1410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2955 3.5076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6434 2.1743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 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 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 19 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 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 M END