MMs03376454 MOE2007 2D CORINA 3.40 0006 02.08.2006 62 63 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 0.7427 -1.3032 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3427 -0.2640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2427 -1.3116 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4427 -1.3116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9854 -2.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2281 -3.9097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4854 -2.6233 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0912 -1.5874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2281 -3.9265 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0281 -3.9265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4708 -5.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2135 -6.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7135 -6.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4562 -7.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6989 -9.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1989 -9.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4562 -7.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7280 -3.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4707 -5.2381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4853 -2.6401 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8829 -1.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0032 -0.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2980 -1.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9779 -2.4917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.1371 -2.1811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9754 -3.6120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4443 -3.3084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0146 -2.5980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5146 -2.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5230 -4.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0145 -2.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5061 -1.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0426 0.5942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5942 1.0426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0426 -0.5942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5559 -4.4448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5472 -5.9875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0164 -6.0150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6561 -7.8429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2930 -10.1736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5931 -10.1584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2562 -7.8126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8403 -1.8606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1830 -0.2916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1160 0.5390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7140 0.6979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7923 0.0673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4372 -1.4035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1230 -4.0862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5297 -5.2896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3230 -4.0963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0112 -1.9812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2145 -2.5745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0179 -3.1812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3062 -1.0964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4994 0.1103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1061 -1.0863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5039 -5.0360 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0168 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1999 -0.0236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4058 1.0258 0.0000 H 0 0 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 4 1 0 0 0 0 2 29 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 60 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 27 59 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 60 61 1 0 0 0 0 60 62 1 0 0 0 0 M CHG 1 59 -1 M END