MMs02478038 MOE2007 2D CORINA 3.40 0006 02.08.2006 84 87 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 1.2970 -0.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2928 -2.2536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0072 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8950 -0.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2003 1.4856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4931 -0.7680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -0.0216 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.8334 0.5784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0911 -0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0870 -2.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8710 -3.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4047 -2.8376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3979 -3.9495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8574 -5.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3238 -5.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3306 -4.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8306 -4.5856 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5332 -5.5583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2981 -3.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7259 -2.7007 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8774 -1.8522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9370 -3.5858 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.8978 -4.1858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1530 -2.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6193 -3.0234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6261 -1.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1665 -0.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7002 -0.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6934 -1.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1934 -1.2754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9328 -5.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2298 -5.8393 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.1906 -6.4393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2256 -7.3393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5226 -8.0929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9245 -8.0857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9203 -9.5857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5309 -5.0930 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8279 -5.8466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1290 -5.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8237 -7.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1206 -8.1002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.1165 -9.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4134 -10.3538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8154 -10.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7984 1.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0995 2.2248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5014 2.2320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5056 3.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6029 1.0376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0376 0.6029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6029 -1.0376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6014 1.1928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1211 -1.6779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6638 -1.6822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4898 -1.9680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5047 0.3513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2723 -0.9869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0370 -1.6953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2248 -3.6968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0520 -6.2669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6914 -6.8356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9870 -4.1657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7992 -2.1642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9720 0.4059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3325 0.9746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4908 -0.3026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7516 -4.8741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5193 -6.2122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7204 -9.5824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9170 -10.7857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1203 -9.5891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5342 -3.8930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6425 -7.1349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4101 -8.4730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1615 -7.5030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2183 -9.3057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7745 -10.9437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4125 -11.3874 0.0000 H 0 0 0 0 0 0 0 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