MMs02477184 MOE2007 2D CORINA 3.40 0006 02.08.2006 80 85 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 1.4786 0.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8614 -0.3285 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4371 -0.7528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0494 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4322 -2.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6270 -1.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4389 -0.0028 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4389 1.1972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0561 0.5784 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8681 2.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4853 2.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2905 1.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0923 2.3222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6539 1.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6337 0.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0165 0.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2045 -1.1653 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0098 -2.0722 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5031 -3.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0028 -3.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4363 -2.0214 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.2848 -2.8699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8528 -1.5281 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.0120 -1.2175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2864 -0.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7860 -0.0606 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.9451 -0.3712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2794 -1.4772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0846 -2.3841 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.1238 -2.9841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1160 -3.8838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6421 1.1711 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.6029 1.7711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9993 1.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7676 2.6658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2616 2.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1088 0.8003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9344 -3.1180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5139 -0.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9337 -1.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2022 1.1828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1828 -0.2022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2022 -1.1828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4501 -1.7874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7835 -2.9868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5826 -3.5884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0667 2.0080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1340 3.2368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1353 3.6565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6048 3.4632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0800 2.2329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 1.3241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2278 -0.0107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7532 1.7194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2838 1.9128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2824 1.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2151 0.2642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3348 -3.7628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6535 -4.6793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9024 -4.6532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1815 -3.6822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1076 0.1328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3868 1.1037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1676 -4.4619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5857 2.1153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2714 3.2685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6133 3.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3012 -0.0873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9964 -0.0073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5126 1.2441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0978 -2.2577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0741 -3.9546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7710 -3.9783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0994 -1.4810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5614 0.1519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9285 0.6140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1843 -0.7089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4978 -2.2628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4927 -1.3627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 2 3 1 0 0 0 0 2 13 1 0 0 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