MMs02434459 MOE2007 2D CORINA 3.40 0006 02.08.2006 78 80 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 1.4999 0.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2609 -1.2800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7608 -1.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4998 0.0379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5217 -2.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0217 -2.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7826 -3.8401 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3826 -4.8793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0436 -5.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8045 -6.4381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5436 -5.1580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8046 -6.4634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3047 -6.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2825 -3.8274 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0216 -2.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2607 -1.2295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5215 -2.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2605 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7605 -1.1915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5214 -2.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7824 -3.7895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2824 -3.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0214 -2.4716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7823 -3.7642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7604 -1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2603 -1.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0213 -2.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5212 -2.4336 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2602 -1.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4993 0.1643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9994 0.1517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2383 1.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7383 1.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4992 0.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7602 -1.1157 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.9991 0.2023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.7601 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2600 -1.0778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0210 -2.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4774 2.7623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2164 4.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4555 5.3603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7164 4.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0101 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0101 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2816 1.1926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6241 0.4326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3976 -2.9800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7401 -3.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8034 -1.3674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1458 -2.1275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9357 -6.8643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6062 -7.6468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2945 -5.2760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1047 -6.4861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3148 -7.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8913 -4.8616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6518 -0.1700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3517 -0.1473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3911 -4.8237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6912 -4.8464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7481 -4.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3910 -4.7984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8164 -3.1555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6293 -0.7654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9588 0.0172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4300 -3.4905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3295 2.5265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.5904 1.2465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9768 -1.8045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.4298 -3.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.0653 -2.9869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2775 2.7522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7265 2.8803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9163 4.0904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7063 5.2802 0.0000 H 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 2 48 1 0 0 0 0 2 49 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 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