MMs02188869 MOE2007 2D CORINA 3.40 0006 02.08.2006 83 86 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 0.8507 1.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2060 2.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3459 1.1165 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7459 2.1557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9691 2.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4624 2.6234 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8624 3.6626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3324 1.4015 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7092 0.0371 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9092 0.0371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2160 -0.1054 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8451 -0.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2932 -1.6034 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6038 -2.7625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6291 -2.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7063 -3.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0423 -4.4657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4476 -4.5994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5249 -6.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2885 -2.7173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8216 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1831 -3.5180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3593 -0.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 -1.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0724 -1.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6956 0.3221 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8256 1.5440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7188 2.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1409 2.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1266 0.7719 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.1658 1.3719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3316 -0.1213 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.3708 -0.7213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7625 0.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6326 -0.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1325 -0.9078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7393 -2.0984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3172 -1.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7272 -0.7668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0028 2.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0856 3.9878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2155 5.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7223 5.0672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8387 6.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9884 0.6805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3403 -0.4942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9884 -0.6805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8866 3.5783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9902 2.6851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8076 2.7824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0643 3.6771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3580 0.3823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7484 -1.2015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3323 -1.8110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9809 -1.1383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2246 -2.3592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3265 -6.1592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5867 -7.2959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7233 -6.0357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9301 -0.7923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1743 -0.4064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2115 -1.1621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4956 -1.7005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7390 -1.7631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9772 -2.2385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2339 -1.3438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3590 3.8938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4016 3.4432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3331 2.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2850 1.4294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8075 0.9185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1250 -1.4844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0565 -2.7926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8561 -1.5921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5525 -1.6380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5984 0.0584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0763 2.2070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5392 3.8168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9293 3.2797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9303 6.0756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3373 7.6657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7472 7.0727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 49 1 0 0 0 0 3 50 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 6 7 1 0 0 0 0 6 51 1 0 0 0 0 6 52 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 42 1 0 0 0 0 9 10 1 0 0 0 0 9 28 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 25 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 53 1 0 0 0 0 13 54 1 0 0 0 0 13 55 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 16 17 1 0 0 0 0 16 56 1 0 0 0 0 16 57 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 20 58 1 0 0 0 0 20 59 1 0 0 0 0 20 60 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 25 26 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 26 27 1 0 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 27 28 1 0 0 0 0 27 31 1 0 0 0 0 27 40 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 68 1 0 0 0 0 30 31 1 0 0 0 0 30 69 1 0 0 0 0 30 70 1 0 0 0 0 31 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