MMs02508940 MOE2007 2D CORINA 3.40 0006 02.08.2006 82 84 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 0.7611 -1.2926 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4389 -1.2926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2611 -1.2797 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6611 -0.2405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0222 -2.5722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2834 -3.8777 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7834 -3.8905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0223 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4777 -2.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5888 -4.6165 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6280 -5.2165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8813 -3.8554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8685 -2.3554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1868 -4.5942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1971 -5.7942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4793 -3.8331 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4793 -5.0331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7847 -4.5719 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.7847 -3.3719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0773 -3.8108 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.1165 -3.2108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3827 -4.5496 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.9623 -4.7049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3956 -6.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1030 -6.8107 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.0638 -7.4107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7976 -6.0718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1159 -8.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8234 -9.0717 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.8626 -9.6717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5179 -8.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2254 -9.0940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2382 -10.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8362 -10.5717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1417 -11.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8955 -6.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1567 -7.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6753 -3.7885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6624 -2.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0644 -2.3108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7590 -1.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4664 -2.3331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6017 -6.1164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2962 -5.3776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0037 -6.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 0.0257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 0.6089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6089 1.0340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0340 -0.6089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0019 -5.0705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3407 -4.3106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0865 -1.5768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0687 -3.6552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7059 -8.2014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5360 -9.4347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2814 -7.4071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7387 -7.4203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0383 -10.6043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2485 -11.7939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4382 -10.5837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5506 -12.3548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1860 -11.9016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7327 -10.2662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9058 -7.2366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0955 -6.0264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8904 -5.4367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6397 -7.6466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7656 -8.3762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1908 -6.7332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8624 -2.2782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6521 -1.0886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4625 -2.2988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5224 -0.6462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9798 -0.6594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5676 -6.7253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3948 -5.1047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0304 -6.7476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6126 -7.1728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0442 -0.5653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5910 1.0701 0.0000 H 0 0 0 0 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