MMs00586617 MOE2007 2D CORINA 3.40 0006 02.08.2006 38 40 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 -1.2950 -0.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 -0.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6060 1.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3110 2.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9091 2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2041 1.4723 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5776 2.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8973 3.5406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5754 0.9550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.1754 1.9942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8185 -0.3400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3529 -0.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2329 -1.0181 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.0680 1.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9432 -0.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4358 0.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3110 -1.1837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6935 -2.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2010 -2.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3258 -1.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5687 -3.7690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0424 -0.5945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2886 -1.9569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6341 -0.6194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3174 3.4430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 2.1055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1426 3.1525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6853 3.1443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3007 -1.4389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7434 2.2591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1493 1.6241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9297 1.1281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5050 -1.0647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7070 -3.7933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1317 -1.6005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7628 -3.6499 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 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 14 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 11 13 1 0 0 0 0 11 16 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 M END