MMs02505858 MOE2007 2D CORINA 3.40 0006 02.08.2006 78 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 1.3053 -0.7390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9033 -0.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 0.0438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1833 1.5437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8780 2.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5853 1.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2800 2.2609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8654 3.7827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5601 4.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5013 -0.6952 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4621 -1.2952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5139 -2.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2213 -2.9561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2339 -4.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5392 -5.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8319 -4.4342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8192 -2.9342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1119 -2.1733 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.1119 -3.3733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0993 -0.6733 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.6788 -0.8286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 0.0657 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9454 0.9142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0934 1.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0804 2.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5839 1.7048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2055 0.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7099 -2.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6972 -0.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9899 0.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3079 -2.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0152 -2.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5879 0.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8932 -0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1859 0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4912 -0.5858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5038 -2.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2112 -2.8466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9059 -2.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2397 -6.6649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7493 -6.8342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1277 -5.4691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5912 1.0443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0443 0.5912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5912 -1.0443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9134 -1.9171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2175 2.1525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2459 1.6521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1513 5.5660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5158 5.1130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9688 3.4775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1770 -2.3649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8761 -5.0254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9190 -0.6251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2396 0.9485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7099 -3.3514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1073 -0.7606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2773 0.4727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2109 1.0222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7535 1.0352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7278 -3.2536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4878 -1.9112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2516 -3.8161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7943 -3.8031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3515 1.0571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8088 1.0441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1758 1.3532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5253 0.0230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5481 -2.6769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2213 -4.0466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8717 -2.7163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0087 -8.0059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6112 -7.2147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4172 -2.9123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4273 -4.1123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2952 -0.6295 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 48 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 7 2 0 0 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