MMs01961414 MOE2007 2D CORINA 3.40 0006 02.08.2006 48 50 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 -1.2955 0.7561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 0.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6051 -1.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3096 -2.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0071 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9077 -2.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2032 -1.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5057 -2.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8012 -1.4632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1744 -2.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4932 -3.5326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1728 -0.9475 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.4167 0.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0203 1.7212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9510 0.0293 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -11.6653 -1.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5413 0.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9247 1.4879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.0338 -0.0293 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.9097 1.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4022 1.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.2782 2.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.7707 2.1065 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -19.7691 3.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.1423 2.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.9925 1.1298 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -19.5268 0.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 0.5951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2898 1.9561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6344 0.6171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3153 -3.4438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0293 -2.1049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9133 -3.4316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1975 -0.2755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5114 -3.4193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3400 -2.2523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7463 -1.6182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5270 -1.1232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8287 1.7093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2351 2.3434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0769 -0.1165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4833 0.5176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1972 2.7772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6035 3.4113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.5141 4.3985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -22.1787 3.2272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.0439 -0.2875 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 16 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 17 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 28 2 0 0 0 0 28 48 1 0 0 0 0 M END