MMs00467305 MOE2007 2D CORINA 3.40 0006 02.08.2006 64 64 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 -0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2483 -1.3019 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0483 -1.3019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4967 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7483 -1.3038 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1483 -2.3431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7517 1.2942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -0.0077 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7517 1.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2517 1.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6517 2.3277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0033 2.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5033 2.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2517 1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8517 0.2454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 -0.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -0.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7517 1.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5000 -0.0173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5033 2.5808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0033 2.5789 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.4033 3.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7550 3.8769 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.3550 4.9162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2550 3.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0066 5.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7583 6.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7517 1.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0000 -0.0192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0015 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0015 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2931 1.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6282 0.4071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4582 -1.9987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8953 -3.6385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5351 -3.2013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5987 -1.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6246 1.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9615 2.4719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8762 2.9984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2132 3.7681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2965 3.7667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6315 2.9936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6271 -0.4253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2901 -1.1949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8718 -0.4205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2069 -1.1936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9046 3.6208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2534 2.6750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4550 3.8735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2565 5.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0864 4.4068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0884 5.9495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7968 5.8737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3596 7.5135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7198 7.0764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8953 -3.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2516 1.2770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4967 -2.6038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6967 -2.6054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8503 0.2370 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 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 62 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 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 51 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 30 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 31 2 0 0 0 0 30 61 1 0 0 0 0 60 62 1 0 0 0 0 61 64 1 0 0 0 0 62 63 1 0 0 0 0 M END