MMs01998417 MOE2007 2D CORINA 3.40 0006 02.08.2006 54 55 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 -0.7491 -1.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2491 -1.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9982 -2.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4982 -2.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2472 -3.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7472 -3.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4982 -2.6034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7491 -1.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2491 -1.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9982 -2.6044 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.7491 -1.3059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0000 -0.0064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2491 -1.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0000 -0.0085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.2509 1.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7509 1.2921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.0018 2.5896 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -12.6018 3.6288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5018 2.5885 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -14.2509 1.2890 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -14.8509 0.2497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5000 -0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2491 -1.3091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.7509 1.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5018 2.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2528 3.8892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0037 5.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0397 -0.5993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5993 1.0397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0397 0.5993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3788 -1.7092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9566 -2.4815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0415 -0.1187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3770 -0.8910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8702 -3.0098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2057 -3.7821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6465 -4.9396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3465 -4.9415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3498 -0.2650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6498 -0.2631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5974 -3.6441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0399 -2.4886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3764 -1.7182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5417 0.1063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8783 0.8767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4630 3.1871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1026 3.6252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5406 1.9857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3330 3.1185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3340 4.6612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9649 5.7884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6044 6.2265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0425 4.5869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 12 13 2 0 0 0 0 12 14 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 23 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 27 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 25 1 0 0 0 0 23 24 2 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 M END