MMs01645411 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 46 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 1.2926 -0.7611 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2797 -2.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0223 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8592 1.2831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3368 -1.3277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9034 0.7165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9163 2.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2217 2.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5143 2.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5014 0.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 -0.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7939 -0.0669 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0994 0.6719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1123 2.1718 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.3919 -0.0892 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6974 0.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7102 2.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0157 2.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3082 2.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2953 0.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9899 -0.1115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9770 -1.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2696 -2.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5750 -1.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5879 -0.1338 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6089 1.0340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0340 0.6089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6089 -1.0340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0797 -2.2508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2694 -3.4610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4796 -2.2714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8822 2.8254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 4.1552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5586 2.7852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1857 -1.2446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7836 -1.2669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3816 -1.2892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6762 2.7584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0260 4.0883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3526 2.7183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9327 -2.2025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2593 -3.5726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6090 -2.2427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 6 2 0 0 0 0 4 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 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 M END