MMs00198334 MOE2007 2D CORINA 3.40 0006 02.08.2006 58 61 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 -0.7455 -1.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2455 -1.3068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9910 -2.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2365 -3.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7365 -3.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5090 -2.5929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2635 -3.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 -3.8841 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1634 -4.9234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5179 -5.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0179 -5.1754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9038 -6.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5970 -7.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1720 -8.3226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7152 -8.8540 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4697 -10.0286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1402 -8.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2583 -9.3854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4469 -6.9172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3288 -5.9174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3236 -4.4174 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8954 -3.9588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4269 -2.5338 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.4268 -1.4157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9583 0.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4900 0.3161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9582 1.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4897 2.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4896 3.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9578 3.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4263 1.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4265 0.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9577 4.4820 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.8719 -6.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5090 -2.5825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0413 -0.5964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5964 1.0413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0413 0.5964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8491 -0.2697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1910 -2.6126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8329 -4.9462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1329 -4.9368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1373 -4.3036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4759 -5.0704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -5.5949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7304 -6.3616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1688 -2.3587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4844 -0.8486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3151 2.7979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1148 4.8106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6009 1.6934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8012 -0.3193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2467 -7.5888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0119 -6.0740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4972 -5.3088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9054 -1.5454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 41 1 0 0 0 0 4 5 1 0 0 0 0 4 42 1 0 0 0 0 5 6 2 0 0 0 0 5 43 1 0 0 0 0 6 7 1 0 0 0 0 6 44 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 45 1 0 0 0 0 9 46 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 37 1 0 0 0 0 12 13 1 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 22 2 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 51 1 0 0 0 0 31 32 1 0 0 0 0 31 52 1 0 0 0 0 32 33 2 0 0 0 0 32 35 1 0 0 0 0 33 34 1 0 0 0 0 33 53 1 0 0 0 0 34 54 1 0 0 0 0 36 55 1 0 0 0 0 36 56 1 0 0 0 0 36 57 1 0 0 0 0 37 58 1 0 0 0 0 M END