MMs01336755 MOE2007 2D CORINA 3.40 0006 02.08.2006 52 54 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 0.0091 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3127 -2.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6071 -1.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9107 -2.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9198 -3.7263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6253 -4.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3218 -3.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0273 -4.4999 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2234 -4.4684 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5178 -3.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5087 -2.2105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8214 -4.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1159 -3.6948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4194 -4.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4285 -5.9368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7139 -3.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0174 -4.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3119 -3.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3028 -2.1633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5973 -1.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9008 -2.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9099 -3.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6155 -4.4053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1953 -1.3896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.4989 -2.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7933 -1.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0969 -2.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1060 -3.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8115 -4.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5080 -3.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 0.0073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0073 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5998 -0.2842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9463 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6326 -5.6841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2306 -5.6684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0556 -5.3765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5983 -5.3672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9370 -2.7644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4796 -2.7551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2600 -1.5696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5900 -0.2054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9528 -4.2411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6228 -5.6053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1880 -0.1896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7860 -0.1739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1325 -1.5097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1488 -4.2096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8188 -5.5738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4724 -4.2380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 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 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 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 41 1 0 0 0 0 17 42 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 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 30 2 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 M END