MMs01871393 MOE2007 2D CORINA 3.40 0006 02.08.2006 68 72 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 -1.3005 0.7474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -0.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5951 -1.5052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8986 0.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1961 -0.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4967 0.7371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7942 -0.0155 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.4836 -1.1746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1138 1.7493 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.4244 2.9084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6324 1.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1324 1.7392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6480 0.8556 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.4660 1.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9880 2.9218 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.3702 -0.8288 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.8441 -0.8138 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.2645 -0.9691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3825 -2.2458 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.5964 -3.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8110 -2.2494 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.8110 -3.4494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2342 -2.7232 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.5354 -4.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4135 -5.1883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9586 -4.6665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0805 -3.6709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5037 -4.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8050 -5.6141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6831 -6.6097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2599 -6.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8694 -0.7781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0741 0.3905 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.4113 1.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6684 0.2517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4915 2.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2344 3.3862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3146 4.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6518 5.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9089 4.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8288 3.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5979 -1.0404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0404 -0.5979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5979 1.0404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1291 1.6630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6718 1.6600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4230 -0.9280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5809 -0.4707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7272 1.6579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8833 1.1959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1317 0.5235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2671 1.6256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7925 -4.0206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3984 -4.0224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1317 -1.9267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8395 -2.4953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4013 -3.3482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9436 -5.9932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9241 -7.7853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3623 -6.9324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5041 -1.7965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1205 -0.2077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1646 2.8426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3089 5.5388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7160 6.7619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9788 5.2888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8344 2.5927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 46 1 0 0 0 0 5 47 1 0 0 0 0 6 7 1 0 0 0 0 6 48 1 0 0 0 0 6 49 1 0 0 0 0 7 8 1 0 0 0 0 7 50 1 0 0 0 0 7 51 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 18 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 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 17 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 54 1 0 0 0 0 21 55 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 56 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 57 1 0 0 0 0 29 30 1 0 0 0 0 29 58 1 0 0 0 0 30 31 2 0 0 0 0 30 59 1 0 0 0 0 31 32 1 0 0 0 0 31 60 1 0 0 0 0 32 61 1 0 0 0 0 33 62 1 0 0 0 0 34 35 1 0 0 0 0 34 63 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 37 42 2 0 0 0 0 38 39 2 0 0 0 0 38 64 1 0 0 0 0 39 40 1 0 0 0 0 39 65 1 0 0 0 0 40 41 2 0 0 0 0 40 66 1 0 0 0 0 41 42 1 0 0 0 0 41 67 1 0 0 0 0 42 68 1 0 0 0 0 M END