MMs03830389 MOE2007 2D CORINA 3.40 0006 02.08.2006 68 68 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 0.7513 -1.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2513 -1.2968 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6513 -0.2575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0026 -2.5950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6026 -3.6343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2540 -3.8948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0053 -5.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -3.8964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0053 -5.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5026 -2.5935 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2513 -1.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7513 -1.2922 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9513 -1.2922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 0.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7487 1.3059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2487 1.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4974 2.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5026 -2.5905 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0026 -2.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7513 -1.2891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7539 -3.8872 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3539 -2.8480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0053 -5.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5053 -5.1885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2539 -3.8857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0053 -5.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2566 -6.4838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5053 -5.1825 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.1947 -6.3416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3857 -3.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8128 -4.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8143 -5.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0287 -6.8106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3882 -6.3951 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0386 0.6011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6011 1.0386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0386 -0.6011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3759 -1.7098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9609 -2.4798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0398 -0.5959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5989 1.0429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9602 0.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0346 -4.5972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5937 -6.2360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0451 -5.7951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1037 -3.6321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4200 -0.7628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4185 0.7799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1487 2.3451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2475 2.5044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0487 1.3031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2499 0.1044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5372 2.0067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0963 3.6455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4575 3.2046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9037 -3.6303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1333 -5.5963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7981 -6.3690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9063 -6.2284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8529 -2.8459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3459 -3.3691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8727 -2.8713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0611 -3.2561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0063 -4.5543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0185 -7.5367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 41 1 0 0 0 0 2 42 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 43 1 0 0 0 0 5 44 1 0 0 0 0 5 45 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 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 11 46 1 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 13 1 0 0 0 0 12 49 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 17 18 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 52 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 21 22 1 0 0 0 0 21 59 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 28 1 0 0 0 0 26 27 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 27 62 1 0 0 0 0 28 29 1 0 0 0 0 28 63 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 37 1 0 0 0 0 33 34 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 34 35 1 0 0 0 0 34 66 1 0 0 0 0 34 67 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 37 68 1 0 0 0 0 M END