MMs00978534 MOE2007 2D CORINA 3.40 0006 02.08.2006 56 57 0 0 0 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 1.2944 -0.7579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8925 -0.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2052 1.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9107 2.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4905 -0.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 -0.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0885 -0.8054 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3921 -0.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4013 1.4367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6866 -0.8212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9901 -0.0791 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.2846 -0.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2754 -2.3370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5699 -3.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5608 -4.5949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8735 -2.3528 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8826 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5882 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5973 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9009 2.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1953 1.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1862 -0.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4989 2.1313 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 18.1679 -3.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6063 1.0356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0356 0.6063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6063 -1.0356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5175 -1.6724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0602 -1.6818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8323 0.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9865 0.4414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1155 -1.6883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6582 -1.6977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6225 2.5934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3857 1.2527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5171 3.2618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8752 2.8325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6076 1.7084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2562 -1.7135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7136 -1.7041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0284 0.8765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5710 0.8671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0812 -2.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9096 -1.7357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4523 -1.7451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2326 -2.9307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5618 2.0113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9082 3.3471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2218 -0.7171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5616 -4.1463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2035 -3.7171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7742 -2.0752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0317 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.1961 -1.2317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 4 55 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 5 55 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 7 55 1 0 0 0 0 8 9 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 9 10 1 0 0 0 0 9 45 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 48 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 26 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 21 22 1 0 0 0 0 21 49 1 0 0 0 0 22 23 2 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 55 1 M END