MMs01386566 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 45 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 0.7428 -1.3031 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4572 -1.3031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0143 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7286 -3.9012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5143 -2.5898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2714 -3.8847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5285 -5.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2857 -6.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7856 -6.4745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5285 -5.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7714 -3.8764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0285 -5.1631 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.7856 -6.4580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7713 -3.8600 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2428 -1.3114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1312 -0.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6755 1.3264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5552 -0.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5634 0.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9925 1.3816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8675 0.1632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -1.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5469 -2.0741 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1178 -2.5297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6465 -3.9538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0425 0.5943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5943 1.0425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0425 -0.5943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1085 -1.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3286 -5.1944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6914 -7.5252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3913 -7.5104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3656 -2.8339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3693 0.8070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3204 2.1010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5105 2.4805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0350 1.9759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7637 0.9613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7549 -0.6446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4851 -2.1390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0151 -1.6511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5139 -2.7847 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 2 16 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 30 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 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 26 2 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M END