MMs03167676 MOE2007 2D CORINA 3.40 0006 02.08.2006 63 66 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 0.7481 -1.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2481 -1.3023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9962 -2.6025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2443 -3.9004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4962 -2.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2481 -1.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7481 -1.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4962 -2.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7443 -3.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2443 -3.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -2.6113 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7481 -1.3133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -0.0132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2481 -1.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0000 -0.0176 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.6000 -1.0568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3919 1.3536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9251 1.6677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5081 2.3557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8060 1.6038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1772 2.2119 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.4920 0.1370 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4941 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9617 -0.6694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4274 0.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8950 1.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8971 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4315 -1.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9638 -1.7856 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3535 3.8477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9840 4.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8294 5.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0443 6.8317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4137 6.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5683 4.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6285 7.0995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4739 8.5915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0401 0.5985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5985 1.0401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0401 -0.5985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3801 -1.7089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9547 -2.4822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6496 -0.2666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3496 -0.2706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3428 -4.9471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6428 -4.9431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5947 -3.6514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0380 -2.4970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3751 -1.7276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4755 -1.6136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9420 -2.0924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6257 1.6494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2675 2.2069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0712 0.1978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2331 -2.3688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0122 3.7559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7339 6.4415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9206 8.0253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6638 4.2379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6675 8.7152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3502 9.7851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2803 8.4678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 2 3 1 0 0 0 0 2 42 1 0 0 0 0 2 43 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 8 45 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 46 1 0 0 0 0 11 47 1 0 0 0 0 12 13 1 0 0 0 0 12 48 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 49 1 0 0 0 0 15 50 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 23 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 31 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 28 29 2 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 29 56 1 0 0 0 0 31 32 1 0 0 0 0 31 36 2 0 0 0 0 32 33 2 0 0 0 0 32 57 1 0 0 0 0 33 34 1 0 0 0 0 33 58 1 0 0 0 0 34 35 2 0 0 0 0 34 59 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 36 60 1 0 0 0 0 37 38 1 0 0 0 0 38 61 1 0 0 0 0 38 62 1 0 0 0 0 38 63 1 0 0 0 0 M END