MMs01454256 MOE2007 2D CORINA 3.40 0006 02.08.2006 55 58 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 1.3009 0.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3047 2.2467 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0076 3.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0076 1.8000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2933 2.2533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5905 3.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7435 4.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2099 4.8143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6952 5.9118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9632 3.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9623 2.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4295 0.9745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8975 0.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8983 1.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4312 3.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0114 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2857 5.2533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3123 5.2467 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6095 4.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9104 5.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9142 6.7401 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6171 7.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3161 6.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2152 7.4868 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9619 6.1859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4684 8.7877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5161 8.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6767 9.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1447 10.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8914 8.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8849 7.6199 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2987 0.5204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0407 -0.5974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5974 -1.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3455 2.8441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9088 1.7927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0670 1.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8497 5.2994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6288 0.0807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2712 -0.4739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0727 1.5371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2319 4.1029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8358 3.5761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3785 3.5722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3180 4.1114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0927 5.4455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3908 8.4107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8481 8.4146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1339 6.5413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9086 7.8754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 10.5301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6355 11.1280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0845 8.6036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 18 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 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 26 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 2 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 29 30 2 0 0 0 0 29 33 1 0 0 0 0 30 31 1 0 0 0 0 30 53 1 0 0 0 0 31 32 2 0 0 0 0 31 54 1 0 0 0 0 32 33 1 0 0 0 0 32 55 1 0 0 0 0 M END