pyridine4Au.log 0 0 15 timestep 1 15 0 0 0.000100 C 0.0000000 0.0000000 0.0000000 C 0.0000000 0.0000000 1.4040460 C 1.2332930 0.0000000 2.0834160 C 2.4237460 0.0001310 1.3332700 C 2.3465010 0.0002460 -0.0691580 N 1.1517460 0.0000930 -0.7252240 H 1.2649330 -0.0000880 3.1694890 H -0.9286590 0.0000140 -0.5616940 H -0.9418660 0.0000570 1.9435060 H 3.3961060 0.0000940 1.8153320 H 3.2398020 0.0005100 -0.6873780 1.2185210 -0.0014900 -3.0020140 1.2449640 -0.0042620 -5.6683470 3.7366580 0.0050120 -4.2795850 5.9712080 0.0230660 -2.8446700 timestep 21 15 0 0 0.000100 C -0.0024130 -0.0001940 -0.0151450 C 0.0001440 -0.0001450 1.3873890 C 1.2330120 0.0001030 2.0676130 C 2.4240990 0.0003810 1.3185490 C 2.3505250 0.0003230 -0.0823450 N 1.1530240 -0.0000220 -0.7343400 H 1.2639800 0.0001140 3.1535790 H -0.9283180 -0.0003360 -0.5792410 H -0.9423570 -0.0002740 1.9248350 H 3.3963400 0.0006440 1.7998280 H 3.2420980 0.0006810 -0.7011260 1.2191750 -0.0019260 -2.9321490 1.2548500 -0.0033220 -5.5800560 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