MMs01095667 MOE2007 2D CORINA 3.40 0006 02.08.2006 80 88 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 -0.8040 -1.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1094 -2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3893 -2.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1933 -1.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4987 -0.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6461 -1.7660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5709 -1.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7399 -3.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3451 -3.8149 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0062 -4.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9431 -5.5658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2094 -6.3698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5389 -5.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6020 -4.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3357 -3.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9315 -3.4818 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1978 -4.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1346 -5.7845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5273 -3.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5904 -2.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9199 -1.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1862 -2.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1230 -3.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7936 -4.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5157 -1.5073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7351 -0.0234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6636 1.0263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2142 0.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0182 1.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5169 1.4295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2115 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4075 -1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9088 -1.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8591 -2.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1089 -3.6536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7102 0.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4048 -1.2926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5142 1.3032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.0129 1.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7075 -0.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2062 -0.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0102 1.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3156 2.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8169 2.5064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1196 3.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5677 5.1043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.4055 5.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.7237 6.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7869 7.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1164 8.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3827 7.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3195 5.9508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9900 5.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6167 3.8033 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5557 1.0636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0030 -1.2158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7526 -3.6088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1419 0.9499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8795 -6.1215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1589 -7.5687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5519 -6.3184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3862 -2.1735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9820 -2.2829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5774 -1.4493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9704 -0.1990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1361 -4.3438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7430 -5.5942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4625 2.5562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1601 2.4426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9632 -2.2298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9585 2.3668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0643 -1.1025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7619 -1.2161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.2092 1.0632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2612 3.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7738 8.2021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.1669 9.4524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.4462 8.0052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.3325 5.3075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 56 1 0 0 0 0 2 3 2 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