MMs01166645 MOE2007 2D CORINA 3.40 0006 02.08.2006 50 53 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 1.2957 0.7558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6048 -1.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9072 -2.2325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2028 -1.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8937 0.7675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5052 -2.2208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8009 -1.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 0.0350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1033 -2.2091 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1100 -3.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4124 -4.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7081 -3.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7013 -2.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3989 -1.4533 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.4382 -0.8533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3922 0.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6018 0.9338 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1318 2.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6318 2.3516 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1747 0.9229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0080 3.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3918 4.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2680 6.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7605 6.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3767 4.6432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5005 3.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8692 4.4931 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6047 1.0365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0365 -0.6047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6047 -1.0365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5683 -2.0930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9126 -3.4325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2326 0.6280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8883 1.9675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5106 -3.4208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9273 -3.5060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7047 -4.8386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6452 -5.3760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1879 -5.3690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1236 -4.8232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8889 -3.4837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8840 -2.4005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1067 -1.0680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1978 5.0634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7750 7.2549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4614 6.9847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9935 2.3317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 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 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 29 50 1 0 0 0 0 M END