MMs01154675 MOE2007 2D CORINA 3.40 0006 02.08.2006 66 66 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 -0.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8947 -0.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0166 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1961 -1.2166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4928 -0.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4880 -2.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2009 1.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9043 2.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5023 2.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5071 3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2105 4.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2153 5.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9186 6.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7990 1.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1004 2.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1052 3.7209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3970 1.4668 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6985 2.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9951 1.4585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9903 -0.0415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2965 2.2044 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5932 1.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5884 -0.0498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8850 -0.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1864 -0.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1912 1.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8946 2.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4831 -0.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6033 1.0373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0373 0.6033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6033 -1.0373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5224 -1.6709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0650 -1.6759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8297 0.9134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3723 0.9085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1204 -1.6792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6631 -1.6842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6998 -0.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6739 -0.9829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2880 -2.2669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4841 -3.4707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6880 -2.2746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6882 3.5171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9212 4.8556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7965 3.3571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0294 4.6955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3964 5.7712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6293 7.1097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5220 7.7748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8813 7.3408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3153 5.7002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4118 1.0167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5674 0.5534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3932 0.2668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9301 3.1344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4727 3.1294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3004 3.4044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5472 -0.6465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8812 -2.0039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2324 2.0386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8984 3.3961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8798 -1.8495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5204 -1.4155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0864 0.2251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 8 44 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 16 1 0 0 0 0 12 13 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 15 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 16 17 1 0 0 0 0 16 54 1 0 0 0 0 16 55 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 56 1 0 0 0 0 20 21 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 59 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 60 1 0 0 0 0 26 27 1 0 0 0 0 26 61 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 62 1 0 0 0 0 29 63 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 30 66 1 0 0 0 0 M END