MMs03763738 MOE2007 2D CORINA 3.40 0006 02.08.2006 62 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 0.7550 -1.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 -1.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2450 1.3077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2449 1.3193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7449 1.3251 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4999 0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7550 -1.2730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7630 -2.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4568 -3.8522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1309 -1.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4328 -2.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7290 -1.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8800 -0.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3460 0.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1010 -1.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1016 -2.3632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5934 -1.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4704 -0.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9628 -0.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5781 -1.6977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7012 -2.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2088 -2.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3318 -3.9805 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 18.8397 0.8872 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 20.3321 0.7362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2243 2.2552 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.9684 -0.2772 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2550 -1.2787 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8550 -2.3180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5100 -2.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0100 -2.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2650 -3.8884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0201 -5.1845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5200 -5.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2650 -3.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2751 -6.4865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0301 -7.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4899 2.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0369 0.6040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6040 1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0369 -0.6040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 -1.7109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 -2.4771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4375 -3.7134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9851 0.5335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8299 1.1497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9781 0.9157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7721 -1.8185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1935 -4.0089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7080 -2.0680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 -3.8930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1240 -6.2156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4650 -3.8722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9932 -8.3866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6341 -8.8195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0670 -7.1786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5268 3.2195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8859 3.6523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4530 2.0114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 2 3 1 0 0 0 0 2 45 1 0 0 0 0 2 46 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 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 47 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 17 18 2 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 18 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 50 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 2 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 38 2 0 0 0 0 34 35 2 0 0 0 0 34 53 1 0 0 0 0 35 36 1 0 0 0 0 35 54 1 0 0 0 0 36 37 2 0 0 0 0 36 39 1 0 0 0 0 37 38 1 0 0 0 0 37 55 1 0 0 0 0 38 56 1 0 0 0 0 39 40 1 0 0 0 0 40 57 1 0 0 0 0 40 58 1 0 0 0 0 40 59 1 0 0 0 0 41 60 1 0 0 0 0 41 61 1 0 0 0 0 41 62 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END