MMs01174228 MOE2007 2D CORINA 3.40 0006 02.08.2006 56 57 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 -0.0018 -2.5981 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6018 -1.5588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5018 -2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7473 -3.8976 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3473 -4.9369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2473 -3.8987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9964 -5.1982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9982 -2.6001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4982 -2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3791 -3.8153 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8060 -3.3527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8070 -1.8527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3807 -1.3882 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0211 -0.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8654 0.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0795 1.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4494 0.7898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6052 -0.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3910 -1.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6635 1.6706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0334 1.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0036 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5036 -5.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2527 -3.8956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2545 -6.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7545 -6.4926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5036 -5.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5053 -7.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0396 0.5993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5993 1.0396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0396 -0.5993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6689 -0.5288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6678 -2.0715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5010 -1.3970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7018 -2.5962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5026 -3.7970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3989 -1.5605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7694 1.0088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9549 2.5943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7011 -1.1909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5156 -2.7765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5446 -0.0363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1293 0.5707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5222 2.1555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5957 -6.2358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1271 -6.9048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4636 -7.6753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9545 -6.4926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4639 -4.5938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1029 -4.1534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5432 -5.7923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5442 -7.1904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1061 -8.8300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4665 -8.3919 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 5 1 0 0 0 0 3 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 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 48 1 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 M END