MMs03127392 MOE2007 2D CORINA 3.40 0006 02.08.2006 61 65 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 -1.5000 0.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2434 1.3105 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4868 2.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2301 3.9085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0132 2.5980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7566 1.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2566 1.2876 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7433 1.3181 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1433 0.2789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6312 0.1091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0554 0.5799 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.0946 1.1799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0478 2.0798 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.7372 3.2389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6188 2.5361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2568 2.9677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0924 4.4586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0596 5.1689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2734 -0.2956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1242 -1.7882 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -5.6316 -1.6390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6167 -1.9374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2338 -3.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7264 -3.4538 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -10.1264 -4.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4830 -4.7490 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -12.0830 -5.7882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9486 -4.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0978 -2.9371 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -13.0978 -1.7371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7244 -2.3340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.3930 -2.1805 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.5422 -0.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0078 -0.3686 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.7644 -1.6638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7664 -2.7836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2372 -4.2078 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -17.7060 -4.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.7040 -3.3924 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -18.2332 -1.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.2312 -0.8484 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.8799 -6.1224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6871 -6.2539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5947 -1.0423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1053 -1.0285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8513 0.2453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8619 2.3237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5950 -0.4962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1248 -0.9847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7883 1.8918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4086 3.3043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0710 -3.6008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3236 -4.5012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0801 -5.6224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1486 -4.4236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6464 0.1105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.0826 -5.6516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.8546 0.2910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.4062 -1.0919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9750 -3.2808 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 7 1 0 0 0 0 1 45 1 0 0 0 0 2 3 1 0 0 0 0 2 46 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 47 1 0 0 0 0 8 48 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 11 12 1 0 0 0 0 11 49 1 0 0 0 0 11 50 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 21 61 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 32 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 43 1 0 0 0 0 29 30 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 33 34 1 0 0 0 0 33 37 1 0 0 0 0 34 35 2 0 0 0 0 34 57 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 41 2 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 39 58 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 59 1 0 0 0 0 42 60 1 0 0 0 0 43 44 1 0 0 0 0 M CHG 1 61 -1 M END