MMs01958494 MOE2007 2D CORINA 3.40 0006 02.08.2006 60 62 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 1.2966 0.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0085 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5588 -0.5915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6030 -1.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8946 0.7628 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8946 -0.4372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8897 2.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5882 3.0085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4927 0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4878 2.2713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 0.0255 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7991 -1.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1006 -2.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3972 -1.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6987 -2.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9952 -1.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9903 0.0426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6888 0.7883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3922 0.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0908 0.7798 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.1300 1.3798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0858 2.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3824 3.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3775 4.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0760 5.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7794 4.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7844 3.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2869 0.7968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5884 0.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2967 -2.2031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3016 -3.7031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6034 1.0373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0373 -0.6034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6034 -1.0373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5222 1.6710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0649 1.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 -1.4954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6069 -2.6915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8030 -1.4875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2001 -1.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6167 -1.2699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3924 -2.6034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3323 -3.1420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8749 -3.1369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7026 -3.4117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6849 1.9883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4236 2.4375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4148 5.1374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0721 6.4798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7382 5.1221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2657 2.7238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9918 -0.9901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6296 -0.5455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1850 1.0923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1016 -3.7071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3056 -4.9031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5016 -3.6992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1863 3.0170 0.0000 O 0 5 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 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 8 9 2 0 0 0 0 8 60 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 19 30 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 32 33 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 M CHG 1 60 -1 M END