MMs01571801 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 -0.0087 -1.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0305 -0.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2859 -2.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2772 -3.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0262 -4.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 -3.7424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3121 -2.2424 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3121 -1.0424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6068 -1.4849 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9101 -2.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9189 -3.7273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2048 -1.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5082 -2.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8028 -1.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7941 0.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0887 0.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3921 0.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4009 -1.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1062 -2.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7042 -2.1819 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -11.7130 -3.6819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.9989 -1.4244 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -9.0800 2.3029 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.1961 0.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1873 1.5302 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7029 -1.1323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4665 -2.4728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4602 -3.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6810 -4.8875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7398 -5.4237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8029 -5.4147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7378 -4.8676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5014 -3.5271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5998 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5152 -3.4121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7514 0.6393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4279 0.6665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1149 -3.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0792 -4.3031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 38 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 25 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 24 1 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 25 26 3 0 0 0 0 42 43 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END