MMs02354767 MOE2007 2D CORINA 3.40 0006 02.08.2006 55 57 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 -0.7558 -1.2957 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0116 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4884 -2.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2442 -1.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7442 -1.3157 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4884 -2.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7326 -3.9138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2326 -3.9071 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4768 -5.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9768 -5.2229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 -3.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9884 -2.6248 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2325 -3.9339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7210 -6.5118 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4652 -7.8142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2558 -1.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 0.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 0.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2557 -1.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5115 -2.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0116 -2.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7557 -1.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5115 -2.5646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4999 0.0334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9999 0.0401 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.3999 1.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7557 -1.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2557 -1.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0115 -2.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2673 -3.8469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7441 1.3425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9883 2.6382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0365 -0.6046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6046 1.0365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0365 0.6046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1410 -3.0034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1915 -3.7807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6488 -0.2672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8279 -4.9758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8372 -2.8973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4233 -8.4096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0606 -8.8561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5071 -7.2189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3953 1.0499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0953 1.0620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1162 -3.6145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4162 -3.6266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8953 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6299 -1.6710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9693 -2.4364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0420 -0.0680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3815 -0.8334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5115 -2.5379 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -11.2441 1.3492 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 13 2 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 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 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 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 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 32 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 30 31 2 0 0 0 0 30 54 1 0 0 0 0 32 33 2 0 0 0 0 32 55 1 0 0 0 0 M CHG 1 54 -1 M CHG 1 55 -1 M END