MMs03921498 MOE2007 2D CORINA 3.40 0006 02.08.2006 82 85 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 0.7517 -1.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0033 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 -3.8962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0066 -5.1961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 -3.8942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0033 -2.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2517 -1.2962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2516 -1.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5033 -2.5923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7516 -1.2904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7483 1.3076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 0.0115 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4000 -1.0278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7483 1.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9967 2.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7450 3.9095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9934 5.2076 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7417 6.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9901 7.8057 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.5887 8.8457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7901 7.8042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7516 -1.2866 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2516 -1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0000 0.0153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0033 -2.5828 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8033 -2.5828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2550 -3.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0066 -5.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5066 -5.1790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2583 -6.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5099 -7.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0099 -7.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2583 -6.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5033 -2.5809 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2516 -1.2809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5000 0.0172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7516 -1.2790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5000 0.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0000 0.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7516 -1.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2516 -1.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0000 0.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2483 1.3248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7483 1.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0385 0.6013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6013 1.0385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0385 -0.6013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1967 -2.5996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3987 1.0423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0987 1.0457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1046 -3.6308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3530 -2.3289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6686 0.5413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6666 2.0840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0784 1.8370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0765 3.3797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6653 3.1393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6633 4.6820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7934 5.2061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1530 -2.3266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3347 -3.1126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3367 -4.6553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1053 -4.1390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4583 -6.4755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1112 -8.8155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4112 -8.8189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0583 -6.4824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1046 -3.6194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3718 0.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7069 1.2030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1530 -2.3152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8530 -2.3117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2000 0.0283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8470 2.3648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1470 2.3614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2417 6.5095 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8430 5.4710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8404 7.5495 0.0000 H 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