MMs01112456 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 46 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 1.3051 0.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3174 2.2393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6226 2.9786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9154 2.2180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2206 2.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2328 4.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9400 5.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6349 4.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3420 5.2392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9523 6.7178 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.5134 2.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8185 2.9360 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1114 2.1754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4165 2.9148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4288 4.4147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7094 2.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6971 0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9899 -0.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9777 -1.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2705 -2.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5756 -1.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5879 -0.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2951 0.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3074 2.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0145 2.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0268 4.3934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5915 1.0441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0441 -0.5915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5915 -1.0441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7063 -0.3916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4886 0.9380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9056 1.0180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2770 5.0487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3518 6.4391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5036 0.9968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1016 0.9755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6530 0.0627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9335 -2.1978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2607 -3.5670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6099 -2.2362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6320 0.4638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3515 2.7243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0709 4.9849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 7 8 2 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 10 35 1 0 0 0 0 12 13 2 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 26 2 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 27 44 1 0 0 0 0 M END