MMs03714958 MOE2007 2D CORINA 3.40 0006 02.08.2006 58 60 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 1.2980 -0.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2960 -2.2517 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3352 -1.6517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5940 -3.0035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5920 -4.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8901 -5.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1901 -4.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4881 -5.2587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4861 -6.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7842 -7.5105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1861 -7.5070 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1845 -8.7070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8881 -6.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5880 -7.5035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7882 -4.5105 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9397 -3.6619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9470 -3.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4146 -2.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1629 -4.0090 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.4735 -5.1681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1577 -5.1224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6544 -4.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5377 -2.9555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0293 -3.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6376 -4.4854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9126 -1.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3044 -0.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1877 0.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6792 0.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2875 -0.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4042 -2.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5625 1.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6014 1.0384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0384 0.6014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6014 -1.0384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7100 0.3753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4795 -0.9617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6026 -1.9600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0441 -3.5986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5946 -4.0400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4105 -4.2935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1801 -5.6306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -3.3070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7470 -3.0173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8231 -1.8253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0453 -1.5672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5115 -2.2224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3221 -5.3209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7323 -4.6953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1111 -0.4038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7011 1.7784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4808 -0.9754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8908 -3.1576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5324 1.0284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2692 2.7050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5927 2.4417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 38 1 0 0 0 0 2 39 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 40 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 43 1 0 0 0 0 7 44 1 0 0 0 0 8 9 2 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 45 1 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 23 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 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 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 52 1 0 0 0 0 30 31 1 0 0 0 0 30 53 1 0 0 0 0 31 32 2 0 0 0 0 31 34 1 0 0 0 0 32 33 1 0 0 0 0 32 54 1 0 0 0 0 33 55 1 0 0 0 0 34 56 1 0 0 0 0 34 57 1 0 0 0 0 34 58 1 0 0 0 0 M END