MMs02514397 MOE2007 2D CORINA 3.40 0006 02.08.2006 70 70 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 -0.7463 1.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2463 1.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2537 -1.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7537 -1.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0074 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0074 -2.5895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 0.0128 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.2463 1.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7463 1.3182 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.9463 1.3182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5000 0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7537 -1.2798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0000 0.0256 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.7537 -1.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2536 -1.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0073 -2.5639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4926 2.6194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7389 3.9163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2389 3.9120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4852 5.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7315 6.5144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4778 7.8155 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.0778 8.8548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7241 9.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2241 9.1082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0074 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5074 2.5938 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9074 3.6330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2611 3.8907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7611 3.8864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2537 1.2926 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6507 0.2551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7537 1.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5074 2.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0074 2.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.0034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8433 2.3464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6103 -3.6356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4103 -3.6305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1175 1.7212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4513 2.4963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5970 1.0665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6272 -1.6849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9654 -2.4525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6926 2.6228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4066 4.4487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4022 5.9914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8144 5.7404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8101 7.2831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5748 8.8607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1191 3.0117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2191 3.7792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3809 2.9989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7191 3.7664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7956 1.3998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1338 2.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9611 3.8745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0000 0.0341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4704 10.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9778 7.8198 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.5807 6.7823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5148 5.1919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7611 3.8779 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1640 4.9188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1177 6.2294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8675 11.4511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1999 0.0376 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 39 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 40 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 7 41 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 19 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 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 2 0 0 0 0 17 61 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 63 1 0 0 0 0 26 27 2 0 0 0 0 26 62 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 33 1 0 0 0 0 31 32 2 0 0 0 0 31 65 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 37 56 1 0 0 0 0 37 57 1 0 0 0 0 38 58 1 0 0 0 0 38 59 1 0 0 0 0 38 66 1 0 0 0 0 53 63 1 0 0 0 0 60 66 1 0 0 0 0 61 70 1 0 0 0 0 62 69 1 0 0 0 0 63 64 1 0 0 0 0 65 68 1 0 0 0 0 66 67 1 0 0 0 0 M END