Trigonelline http://gmd-dev.mpimp-golm.mpg.de/search.aspx?query=110407f8-19f1-4e98-9925-6b225e677e75 10 10 0 0 0 0 0 0 0 0999 V2000 -1.4265 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.8243 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 1.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.6464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 4 8 1 0 8 9 1 0 8 10 2 0 M END