MMs03079861 MOE2007 2D CORINA 3.40 0006 02.08.2006 66 68 0 0 0 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 -0.7771 -1.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5542 -2.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0601 -0.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0286 0.9938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5059 -2.0601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8204 -1.3376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8519 0.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1664 0.8847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4494 0.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4179 -1.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1034 -2.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7639 0.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0469 0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3614 0.7756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6444 -0.0015 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6129 -1.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8959 -2.2783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8644 -3.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1474 -4.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1159 -6.0547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8014 -6.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5184 -6.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5499 -4.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2669 -3.7234 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 13.4619 -3.8325 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.9589 0.7210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2419 -0.0561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9904 2.2207 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3049 2.9433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5879 2.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9024 2.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9339 4.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6509 5.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3364 4.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0534 5.2200 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 13.6824 6.6652 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0264 -0.6217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3108 0.5132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0264 0.6217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5806 -1.9443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1759 -3.5924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5278 -3.1877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3387 0.4730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1916 2.0844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4443 -2.0138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0782 -3.3144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0120 1.7654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5544 1.7330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2564 -0.8498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7988 -0.8822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6095 1.7108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1519 1.6784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4358 -1.2680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1789 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3299 -1.1595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0730 -2.5114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1423 -6.6764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7762 -7.9770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4668 -6.5782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9640 2.8424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5627 0.9664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9288 2.2670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9855 4.9664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3746 -1.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4010 -0.6068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 3 41 1 0 0 0 0 3 42 1 0 0 0 0 3 43 1 0 0 0 0 4 5 2 0 0 0 0 4 65 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 44 1 0 0 0 0 9 10 1 0 0 0 0 9 45 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 46 1 0 0 0 0 12 47 1 0 0 0 0 13 14 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 15 1 0 0 0 0 14 50 1 0 0 0 0 14 51 1 0 0 0 0 15 16 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 19 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 26 1 0 0 0 0 21 22 1 0 0 0 0 21 58 1 0 0 0 0 22 23 2 0 0 0 0 22 59 1 0 0 0 0 23 24 1 0 0 0 0 23 60 1 0 0 0 0 24 25 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 61 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 31 62 1 0 0 0 0 32 33 1 0 0 0 0 32 63 1 0 0 0 0 33 34 2 0 0 0 0 33 64 1 0 0 0 0 34 35 1 0 0 0 0 34 37 1 0 0 0 0 35 36 1 0 0 0 0 65 66 1 0 0 0 0 M END