MMs01253507 MOE2007 2D CORINA 3.40 0006 02.08.2006 56 59 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 1.5000 0.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2561 -1.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5122 -2.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2683 -3.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7682 -3.8795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5121 -2.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7561 -1.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7545 -0.1620 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4995 1.0106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1277 -0.7657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9779 -2.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0973 -3.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7923 -4.7253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5217 -2.7864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6411 -3.7849 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.0655 -3.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3705 -1.8460 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7949 -1.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0999 0.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5242 0.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6437 -0.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3387 -1.9040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9143 -2.3742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6093 -3.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7287 -4.8413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1849 -4.3131 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8799 -5.7818 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.5694 -6.9409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9994 -6.7802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6944 -8.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4555 -6.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1506 -7.7207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0056 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0056 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2861 1.1878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6257 0.4228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3122 -2.5966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6732 -4.9285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3731 -4.9159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1641 -0.1608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9534 -1.7295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4638 -2.0432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2043 0.8917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7682 1.7381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7832 -0.0592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2342 -2.7028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6305 -5.7596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1141 -7.2245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5194 -8.0049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4504 -9.4238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8693 -8.4929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2830 -5.0645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2561 -6.2157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0111 -8.0968 0.0000 H 0 0 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 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 6 7 2 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 42 1 0 0 0 0 12 13 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 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 27 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 32 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 32 33 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 33 56 1 0 0 0 0 M END