MMs01135844 MOE2007 2D CORINA 3.40 0006 02.08.2006 59 61 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 1.2946 -0.7576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8927 -0.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0303 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1961 -1.2303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2048 1.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9102 2.2272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4907 -0.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4819 -2.2879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 -0.0455 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8029 1.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1062 2.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4009 1.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3921 -0.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6868 -0.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6780 -2.3182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9902 -0.0758 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0259 -0.6819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9989 1.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7043 2.1817 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3023 2.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5969 1.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5882 -0.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8828 -0.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1862 -0.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1950 1.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9003 2.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4809 -0.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0887 -0.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6061 1.0357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0357 0.6061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6061 -1.0357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5179 -1.6723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0606 -1.6813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8321 0.9086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9864 0.4422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1160 -1.6875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6586 -1.6965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7951 1.3620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6218 2.5949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5162 3.2629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8745 2.8333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6072 1.7094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2114 1.3537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3990 2.5845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3403 3.1206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8829 3.1116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5363 3.0903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0790 3.0813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5455 -0.6849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8758 -2.0486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2377 1.9877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9074 3.3513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8748 -1.8995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5166 -1.4698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0869 0.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3120 -1.7178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8547 -1.7268 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 30 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 2 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 30 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 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 M END