MMs02498367 MOE2007 2D CORINA 3.40 0006 02.08.2006 75 84 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 0.0415 -1.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1472 -2.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6444 -3.8275 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3226 -4.8175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8550 -3.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2789 -2.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7369 -1.9949 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9513 -0.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4507 -0.6756 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4507 0.5244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9260 -0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1240 -2.4337 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7711 -3.0814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3472 -4.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8891 -4.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4652 -6.3115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4433 -3.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4848 -4.6469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7211 -2.3619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1078 -2.9338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0803 -1.7918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2946 -0.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8366 -0.8663 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9229 -0.0883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0084 0.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5078 0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2935 -0.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5797 -1.7503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6138 -2.8369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9667 -2.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7688 -0.7022 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8553 0.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5030 1.7900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2942 -0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4828 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7203 -0.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2964 -1.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7969 -1.5052 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1187 -2.4952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3305 -2.5503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7885 -2.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2124 -0.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1783 0.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8921 1.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3674 1.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5654 -0.1113 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.8846 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1625 -0.0395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9261 -2.3246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1995 0.0332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0332 1.1995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1995 -0.0332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2983 -2.0752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8355 -1.1585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7103 0.4585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0184 0.2496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1256 -0.9136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1745 -5.3895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3896 -4.1003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3799 1.8275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0789 1.9022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6629 -3.5688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2423 -3.8591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3690 -3.3197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1332 -1.9072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4497 2.0224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 -3.7014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6158 -3.0672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7828 2.1043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2312 2.7978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4598 2.5720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5669 1.4087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9039 -2.9531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9815 -2.8956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 51 1 0 0 0 0 1 52 1 0 0 0 0 1 53 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 54 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 55 1 0 0 0 0 9 56 1 0 0 0 0 10 11 1 0 0 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