MMs03254581 MOE2007 2D CORINA 3.40 0006 02.08.2006 64 68 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 0.1444 1.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5096 2.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7304 1.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5860 -0.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2208 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0956 1.8643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2401 3.3573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3164 0.9927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6817 1.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9024 0.7426 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8632 0.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3251 1.2179 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.4842 1.5285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2168 0.0117 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8168 -1.0275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3452 -1.2091 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4967 -2.0576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9149 -0.7574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8206 -2.6318 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2903 -2.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7657 -4.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7712 -5.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2466 -6.8998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3015 -5.1775 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5059 -6.0758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8262 -3.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3564 -3.4551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7168 0.0242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4560 1.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6953 2.6221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9559 1.3418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7167 0.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2166 0.0614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9558 1.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1951 2.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6952 2.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7768 2.6483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7639 3.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2993 3.4306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2156 5.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6802 5.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1319 6.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1190 8.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6544 7.7218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2027 6.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0922 -0.4972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8322 2.1903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6252 3.3089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5626 -0.9474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1052 -2.0660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0024 2.6034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5379 2.4549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0859 -2.0331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1253 -0.9952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8252 -0.9728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1558 1.3766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7865 3.7036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0866 3.6812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4905 4.6239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3036 7.1986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4803 9.1901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8441 8.6068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0310 6.0322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 47 1 0 0 0 0 2 3 2 0 0 0 0 2 48 1 0 0 0 0 3 4 1 0 0 0 0 3 49 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 50 1 0 0 0 0 6 51 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 52 1 0 0 0 0 10 53 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 38 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 29 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 27 1 0 0 0 0 21 22 2 0 0 0 0 21 54 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 37 2 0 0 0 0 33 34 2 0 0 0 0 33 55 1 0 0 0 0 34 35 1 0 0 0 0 34 56 1 0 0 0 0 35 36 2 0 0 0 0 35 57 1 0 0 0 0 36 37 1 0 0 0 0 36 58 1 0 0 0 0 37 59 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 41 46 2 0 0 0 0 42 43 2 0 0 0 0 42 60 1 0 0 0 0 43 44 1 0 0 0 0 43 61 1 0 0 0 0 44 45 2 0 0 0 0 44 62 1 0 0 0 0 45 46 1 0 0 0 0 45 63 1 0 0 0 0 46 64 1 0 0 0 0 M END