MMs01391964 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 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 0.7390 -1.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 -3.9033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2169 -3.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9779 -2.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2389 -1.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4778 -2.6361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2388 -1.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4998 -0.0381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7388 -1.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4997 -0.0635 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9997 -0.0762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8916 1.1298 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4906 -2.4352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3142 0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3015 -0.8457 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8710 -1.2971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5352 1.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9003 0.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1212 1.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9770 3.2683 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6119 3.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3910 3.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9559 -5.2214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1949 -6.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0443 0.5912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5912 1.0443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0443 -0.5912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2220 -2.5878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1082 -4.9374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8477 -0.2839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0690 -3.6804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5204 -2.5361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8629 -1.7761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0156 -0.2905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2133 1.2779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4966 5.0845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2989 3.5160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1608 -5.9052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5861 -7.5481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2290 -7.1228 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 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 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 M END