MMs01998298 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 44 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 1.3002 -0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8983 -0.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9006 -2.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2007 -2.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4986 -2.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4963 -0.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7988 -2.9880 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0967 -2.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0944 -0.7361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3969 -2.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6948 -2.2321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9950 -2.9801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9973 -4.4801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2929 -2.2281 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.3321 -1.6281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2906 -0.7281 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.9904 0.0199 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.0296 0.6199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6925 -0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 0.0159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9881 1.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5930 -2.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5984 1.0401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0401 0.5984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5984 -1.0401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5303 -1.6684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0729 -1.6661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8623 -2.8456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2026 -4.1920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5346 -0.1384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1943 1.2080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8007 -4.1880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6270 -3.9045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1696 -3.9021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1881 1.5218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9862 2.7199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7881 1.5181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9946 -4.0162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6332 -3.5745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1914 -1.9359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 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 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 25 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 24 1 0 0 0 0 22 23 2 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 M END