MMs02390629 MOE2007 2D CORINA 3.40 0006 02.08.2006 80 84 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 0.3122 -1.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7389 -1.9304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0510 -3.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9365 -4.4015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4777 -3.8608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7899 -5.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2166 -5.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4863 -4.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6300 -5.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7977 -5.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6008 -6.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4720 -7.7102 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8319 -8.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4271 -9.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 -10.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8815 -11.7303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6118 -12.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4680 -11.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9326 -10.2926 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2452 -9.3089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3003 -12.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4972 -11.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6260 -9.8112 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2661 -9.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6709 -8.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6989 -7.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1636 -7.2285 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8505 -8.2124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2658 -10.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0746 -11.6689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5251 -13.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7729 -10.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -11.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4071 -11.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2128 -9.9088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4658 -12.4946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9587 -12.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8316 -13.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3082 -12.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8322 -7.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0234 -5.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5729 -4.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -3.4044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1737 0.2497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2497 1.1737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1737 -0.2497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8871 -1.5093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1454 -2.6555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6445 -2.6724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6770 -3.8186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5906 -5.3701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6231 -6.5163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0428 -3.9951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6018 -9.7121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5670 -13.8173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0552 -13.5264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4962 -7.8093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4085 -12.6250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0856 -14.1812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 -13.5042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0954 -9.0451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6906 -9.6827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9823 -11.9391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5775 -12.5767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6362 -11.1926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0410 -11.8302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8075 -12.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5300 -14.5442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8558 -14.2667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9376 -13.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4495 -12.5641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6788 -11.0522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0265 -7.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6895 -4.8964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0124 -3.3402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4563 -4.0173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7414 -3.4492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5870 -2.2052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3431 -3.3596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 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