MMs00468472 MOE2007 2D CORINA 3.40 0006 02.08.2006 56 57 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 1.2977 0.7523 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2951 2.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5928 3.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5901 4.5046 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5509 3.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8878 5.2569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8852 6.7569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1882 4.5092 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4859 5.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7863 4.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7863 5.7138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0840 5.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3843 4.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3870 3.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3870 1.8184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0893 2.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7889 3.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6874 2.2706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6900 0.7706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9851 3.0229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1392 4.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6059 4.8295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3582 3.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3565 2.4153 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.5156 2.1047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6709 0.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5580 -0.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6018 1.0382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0382 -0.6018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6018 -1.0382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1137 2.0418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8826 3.3792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0052 1.8777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7742 3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1903 3.3092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7129 6.1794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2556 6.1821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3110 6.1839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8537 6.1867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7928 5.6467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9754 4.4152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 1.3482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3196 1.3454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6068 3.2201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3805 1.8854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5392 4.5139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0117 5.7082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2331 5.9701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7013 5.3195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3278 4.2388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1627 2.6414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0983 0.4876 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2898 5.2523 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2876 6.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2516 4.6505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 54 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 27 53 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 M CHG 1 53 -1 M END