MMs02494727 MOE2007 2D CORINA 3.40 0006 02.08.2006 64 64 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 0.7469 -1.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0062 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2469 -1.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9938 -2.6052 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5938 -1.5660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4938 -2.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2469 -1.3116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2407 -3.9096 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7407 -3.9132 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9407 -3.9132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4876 -5.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7345 -6.5113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4814 -7.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7283 -9.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2283 -9.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4814 -7.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2345 -6.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4938 -2.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7469 -1.3151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9938 -2.6195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7469 -1.3223 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3469 -2.3615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -0.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7531 1.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2531 1.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0062 2.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2469 -1.3259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -2.6267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0000 -0.0286 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5000 -0.0322 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0407 0.5975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5975 1.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0407 -0.5975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4531 -1.3008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0440 -1.9956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6087 -3.6359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0316 -3.2005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0413 -0.1221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3755 -0.8967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6382 -4.9474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4087 -4.4449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4050 -5.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6814 -7.8150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3258 -10.1500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6258 -10.1436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2814 -7.8021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6370 -5.4670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5913 -3.6602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0789 -0.7906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0826 0.7521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3531 2.3150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2502 0.0722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4531 1.2693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2559 2.4722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0468 3.1741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4086 3.6173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9655 1.9791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7012 0.4917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0975 -1.0729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1024 1.0056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0407 -3.8996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2407 -3.9025 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8382 -4.9431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 63 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 41 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 42 1 0 0 0 0 12 43 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 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 16 17 2 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 18 48 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 49 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 28 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 59 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 M END