MMs01166962 MOE2007 2D CORINA 3.40 0006 02.08.2006 50 53 0 0 0 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 1.1115 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5396 -0.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6511 -1.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0791 -1.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3957 0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2842 1.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8561 0.9179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8237 0.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0344 -0.0570 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2508 0.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7918 2.2488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2918 2.2536 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6759 0.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7938 1.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2189 0.8847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5261 -0.5835 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4081 -1.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9830 -1.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9512 -1.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2583 -2.5199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0691 -0.0515 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.4942 -0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8013 -1.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2264 -2.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3444 -1.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0372 0.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6121 0.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1551 1.0125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8058 0.8892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8892 0.8058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8058 -0.8892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3978 -2.7286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9683 -1.9024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5374 2.5498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9669 1.7237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8273 -0.4959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8506 2.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3606 2.4105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3897 2.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4183 0.9227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3514 -2.3255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8414 -2.6414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7836 -1.1536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8122 -2.3033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8234 1.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9070 -2.7879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4722 -3.6305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4844 -1.8303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3664 1.6551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 50 1 0 0 0 0 M END