MMs02744314 MOE2007 2D CORINA 3.40 0006 02.08.2006 58 61 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 0.7565 1.2953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7694 3.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0259 5.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4741 5.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2305 3.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4870 2.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2435 1.3102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7435 1.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2176 6.5063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7175 6.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7824 6.4914 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4176 6.4914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2824 6.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0388 7.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2953 9.0819 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7954 9.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0518 10.3922 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0389 7.7941 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5388 7.7717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2823 6.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7823 6.4614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5388 7.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7953 9.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2953 9.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0259 5.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2694 3.8858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5259 5.1736 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2694 3.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5129 2.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2564 1.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7564 1.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5129 2.5606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7694 3.8634 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0362 0.6052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6052 -1.0362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0362 -0.6052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3694 3.8903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4305 3.9143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7375 2.5177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9435 1.3237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7495 0.1177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7116 7.7138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9175 6.5198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7235 5.3138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9005 10.1182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1611 7.8001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9798 5.9508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3771 5.4192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7388 7.7507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4005 10.0957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7005 10.1092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8285 5.6917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3129 2.5816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6512 0.2366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3512 0.2231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7129 2.5546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 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 39 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 15 16 2 0 0 0 0 15 27 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 48 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 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 25 2 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 26 53 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 54 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 55 1 0 0 0 0 32 33 1 0 0 0 0 32 56 1 0 0 0 0 33 34 2 0 0 0 0 33 57 1 0 0 0 0 34 35 1 0 0 0 0 34 58 1 0 0 0 0 M END