MMs02391048 MOE2007 2D CORINA 3.40 0006 02.08.2006 80 81 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 1.5000 0.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2523 -1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2477 1.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4955 2.6007 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8955 3.6399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0045 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7523 1.2977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2432 3.9010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7432 3.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4955 2.6059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4910 5.2040 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2910 5.2040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7387 6.5017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4865 7.8020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7342 9.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4819 10.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9819 10.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7342 9.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9865 7.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9910 5.2066 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7432 3.9088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9955 2.6085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2432 3.9114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9955 2.6137 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4955 2.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2477 1.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2432 3.9167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.8432 2.8774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4910 5.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7432 3.9193 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4910 5.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7387 6.5173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9910 5.2222 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.3910 6.2614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7432 3.9245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2432 3.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9955 2.6293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4955 2.6319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2432 3.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4909 5.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9909 5.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7432 3.9349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0021 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -1.0366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2141 -1.8969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8541 -2.3333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2904 -0.6933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1683 0.5332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1657 2.0759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6414 4.9392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8208 5.7288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8181 7.2714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5342 9.0977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8801 11.4383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5801 11.4430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9342 9.1071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5883 6.7665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5892 6.2468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0328 5.0928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8067 4.1176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3973 1.5734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5291 5.8162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8892 6.2526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9719 4.9135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3450 2.8811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6163 3.5121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9536 2.7431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3973 1.5891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0973 1.5938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0891 6.2703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3891 6.2656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3450 2.8967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9387 6.5246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7568 3.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7387 6.5225 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1369 7.5607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9568 3.8937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 47 1 0 0 0 0 3 48 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