MMs01774652 MOE2007 2D CORINA 3.40 0006 02.08.2006 57 60 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 1.4207 0.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5478 -0.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9685 -0.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2621 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6828 1.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8099 0.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5164 -0.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0957 -1.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8022 -2.4878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6435 -1.5252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0642 -1.0439 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3578 0.4271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7784 0.9084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0720 2.3794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9056 -0.0814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 0.3999 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.4534 -0.5898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3153 -2.0834 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6931 -2.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1744 -4.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6454 -4.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6351 -3.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1538 -1.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6828 -1.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9167 -0.2596 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5096 1.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9993 1.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8961 0.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3858 0.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9787 1.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0820 2.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5923 2.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6955 3.8739 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3850 1.1366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1366 -0.3850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 -1.1366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8441 1.5337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3570 1.2318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3603 2.2356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9176 3.1020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9465 1.3205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6656 -2.8729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4087 -2.7020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4560 1.2188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9693 -0.8319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4821 -1.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3826 -4.9988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0304 -5.5271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8119 -3.4982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9456 -0.9410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3417 1.3940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5784 2.3162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4217 -1.0111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1032 -0.6954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1705 1.7847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5564 3.9491 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 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 7 8 2 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 10 43 1 0 0 0 0 11 12 2 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 45 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 26 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 24 2 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 27 53 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 54 1 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 31 32 2 0 0 0 0 31 56 1 0 0 0 0 32 33 1 0 0 0 0 32 57 1 0 0 0 0 33 34 1 0 0 0 0 M END