MMs02512672 MOE2007 2D CORINA 3.40 0006 02.08.2006 78 80 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 1.0216 -1.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4836 -0.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5051 -1.8612 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0647 -3.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0862 -4.3935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6027 -3.6306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2503 -4.7777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5811 -2.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8809 -2.8678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9671 -1.5257 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3671 -0.4865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5550 -0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0491 -0.2784 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4491 0.7608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3846 -1.7404 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3846 -2.9404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0979 -2.5113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7646 -2.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9638 -1.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3438 -2.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5246 -3.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5429 -1.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9229 -1.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1220 -0.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5020 -1.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7011 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0811 -1.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2803 -0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6602 -0.7622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8594 0.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2394 -0.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4385 0.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8185 -0.1357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.0176 0.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3976 0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5968 1.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4159 2.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0359 3.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8368 2.2545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0347 0.8523 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5482 2.2712 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.0617 3.6902 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 0.8787 0.8172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8172 0.8787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8787 -0.8172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8359 0.3842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4079 0.2066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7855 1.0319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1097 -3.3339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6412 -3.1479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6663 -0.2944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1978 -0.1084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2680 -2.7074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7994 -2.5214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2455 0.0188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7769 0.2048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8471 -2.3942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3785 -2.2082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8246 0.3321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3560 0.5180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4262 -2.0810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9577 -1.8950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4037 0.6453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9352 0.8313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0054 -1.7677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5368 -1.5817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9828 0.9585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5143 1.1445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5845 -1.4545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.1159 -1.2685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.5620 1.2718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.0934 1.4578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.5423 -1.0137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.7007 0.6084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.3752 3.2887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.8912 4.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7328 2.7248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 2 3 2 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 47 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 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0 38 76 1 0 0 0 0 39 40 1 0 0 0 0 39 77 1 0 0 0 0 40 78 1 0 0 0 0 41 42 2 0 0 0 0 42 43 2 0 0 0 0 M CHG 1 42 1 M CHG 1 43 -1 M END