MMs02533408 MOE2007 2D CORINA 3.40 0006 02.08.2006 55 57 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 -1.5000 -0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2530 1.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5059 2.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0059 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 1.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2470 1.3042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2505 -0.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2436 2.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7470 1.3076 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4941 2.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9941 2.6117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7411 3.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9881 5.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4881 5.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7411 3.9057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2589 3.8920 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.7530 1.2905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 -0.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0000 -0.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7529 1.2836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7470 -1.3144 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.2470 -1.3178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9941 -2.6186 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.5941 -1.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4855 -2.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7940 -4.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4933 -4.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3808 -3.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6024 -1.0379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0976 -1.0440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 3.6387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3494 0.2697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0941 1.5691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7884 1.4295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1226 2.2039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6621 3.1432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6586 4.6859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1148 5.6228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7771 6.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6938 6.3886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3596 5.6143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8236 3.1322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8201 4.6749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3714 -0.4181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7057 -1.1925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1447 -2.3523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0413 -0.1356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3756 -0.9100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4882 -1.5788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6792 -2.6561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9361 -3.8785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2796 -5.3441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1964 -5.9662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5996 -5.7947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 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 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 29 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 26 51 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 54 1 0 0 0 0 28 55 1 0 0 0 0 M END