pyridine4H.log 0 0 15 timestep 1 15 0 0 0.000100 C 0.4799570 -0.0049270 -0.4299620 C 0.1637400 -0.0259980 0.9414000 C 1.2141620 -0.0081320 1.8781460 C 2.5398700 0.0282990 1.4077750 C 2.7633300 0.0425800 0.0169130 N 1.7576300 0.0269330 -0.8949170 H 1.0065940 -0.0234260 2.9450040 H -0.2987310 -0.0115830 -1.1880530 H -0.8746020 -0.0569220 1.2591970 H 3.3802280 0.0459380 2.0958080 H 3.7715950 0.0626840 -0.3892490 H 0.9362670 0.0498480 -3.4922370 H 0.4875030 0.0312020 -4.0874110 H 3.6491350 -0.0718770 -2.9995040 H 4.3802760 -0.0612350 -3.1519220 timestep 21 15 0 0 0.000100 C 0.4827540 -0.0066430 -0.4320110 C 0.1644710 -0.0260760 0.9393790 C 1.2151350 -0.0081630 1.8767560 C 2.5417510 0.0274650 1.4066700 C 2.7654240 0.0424530 0.0159970 N 1.7596610 0.0262740 -0.8960070 H 1.0060500 -0.0214900 2.9434110 H -0.2976720 -0.0159210 -1.1887600 H -0.8739590 -0.0537270 1.2571060 H 3.3828150 0.0430950 2.0939050 H 3.7740820 0.0657940 -0.3887510 H 0.9414790 0.0457500 -3.4968400 H 0.4903730 0.0350810 -4.0837230 H 3.6854680 -0.0641470 -3.0109620 H 4.3191200 -0.0663610 -3.1251800 timestep 41 15 0 0 0.000100 C 0.4800090 -0.0049590 -0.4300000 C 0.1637530 -0.0259990 0.9413630 C 1.2141790 -0.0081330 1.8781210 C 2.5399050 0.0282830 1.4077560 C 2.7633690 0.0425770 0.0168970 N 1.7576680 0.0269210 -0.8949360 H 1.0065830 -0.0233900 2.9449750 H -0.2987110 -0.0116630 -1.1880660 H -0.8745900 -0.0568630 1.2591580 H 3.3802760 0.0458860 2.0957740 H 3.7716410 0.0627420 -0.3892380 H 0.9363650 0.0497720 -3.4923220 H 0.4875570 0.0312740 -4.0873420 H 3.6498090 -0.0717350 -2.9997190 H 4.3791390 -0.0613300 -3.1514300 timestep 61 15 0 0 0.000100 C 0.4809060 -0.0068690 -0.4304670 C 0.1627000 -0.0260010 0.9410190 C 1.2136550 -0.0081010 1.8781970 C 2.5402710 0.0273360 1.4077840 C 2.7635880 0.0424330 0.0170760 N 1.7575670 0.0262260 -0.8946770 H 1.0046440 -0.0211180 2.9448800 H -0.2999820 -0.0166150 -1.1868010 H -0.8756540 -0.0531420 1.2590250 H 3.3816270 0.0426170 2.0946710 H 3.7721910 0.0662550 -0.3877430 H 0.9401490 0.0453980 -3.4938660 H 0.4854650 0.0358150 -4.0853820 H 3.6522090 -0.0644510 -2.9904880 H 4.3776170 -0.0664000 -3.1622390 timestep 81 15 0 0 0.000100 C 0.4839240 -0.0141730 -0.4340530 C 0.1584160 -0.0252120 0.9382100 C 1.2108640 -0.0074250 1.8770610 C 2.5405440 0.0237400 1.4064900 C 2.7634170 0.0422170 0.0164270 N 1.7561820 0.0237140 -0.8951420 H 0.9965030 -0.0129410 2.9430470 H -0.3053140 -0.0374940 -1.1833930 H -0.8797480 -0.0395720 1.2569670 H 3.3854360 0.0299220 2.0892030 H 3.7731150 0.0814940 -0.3833520 H 0.9473590 0.0267480 -3.5241870 H 0.4978180 0.0557530 -4.0330610 H 3.6629690 -0.0319680 -2.9464450 H 4.3654690 -0.0914190 -3.2167820 timestep 101 15 0 0 0.000100 C 0.4809680 -0.0070240 -0.4305430 C 0.1626090 -0.0259830 0.9409600 C 1.2135960 -0.0080850 1.8781730 C 2.5402770 0.0272580 1.4077570 C 2.7635840 0.0424240 0.0170620 N 1.7575360 0.0261680 -0.8946870 H 1.0044720 -0.0209420 2.9448430 H -0.3000990 -0.0170570 -1.1867320 H -0.8757420 -0.0528490 1.2589840 H 3.3817090 0.0423460 2.0945560 H 3.7722120 0.0665720 -0.3876530 H 0.9403030 0.0450020 -3.4945100 H 0.4857110 0.0362370 -4.0842720 H 3.6524350 -0.0637650 -2.9895700 H 4.3773810 -0.0669180 -3.1633790 timestep 121 15 0 0 0.000100 C 0.4818320 -0.0083720 -0.4312560 C 0.1623100 -0.0249150 0.9407130 C 1.2129100 -0.0074520 1.8783710 C 2.5398130 0.0263660 1.4081070 C 2.7633240 0.0424230 0.0176090 N 1.7571860 0.0255740 -0.8943360 H 1.0028260 -0.0198790 2.9449130 H -0.3006570 -0.0227010 -1.1861790 H -0.8759140 -0.0506030 1.2587900 H 3.3815660 0.0394810 2.0945240 H 3.7721440 0.0708730 -0.3862290 H 0.9469750 0.0430360 -3.4972190 H 0.4833120 0.0392570 -4.0811520 H 3.6563420 -0.0528160 -2.9709150 H 4.3729830 -0.0768870 -3.1847530 timestep 141 15 0 0 0.000100 C 0.4818150 -0.0085130 -0.4313100 C 0.1622930 -0.0249180 0.9406280 C 1.2127480 -0.0074490 1.8782620 C 2.5397520 0.0263590 1.4081710 C 2.7635230 0.0422570 0.0177710 N 1.7573570 0.0253650 -0.8942640 H 1.0027410 -0.0195860 2.9447980 H -0.3003560 -0.0232660 -1.1864780 H -0.8760550 -0.0503180 1.2584390 H 3.3813010 0.0396710 2.0948470 H 3.7723490 0.0708330 -0.3860630 H 0.9500300 0.0413940 -3.4989110 H 0.4821080 0.0410830 -4.0787690 H 3.6569780 -0.0533490 -2.9690010 H 4.3703670 -0.0761800 -3.1871320 timestep 161 15 0 0 0.000100 C 0.4819620 -0.0087070 -0.4315130 C 0.1622340 -0.0249410 0.9403170 C 1.2121410 -0.0073080 1.8781650 C 2.5393770 0.0264300 1.4087100 C 2.7639270 0.0418220 0.0185190 N 1.7579800 0.0246330 -0.8939590 H 1.0021960 -0.0191660 2.9446800 H -0.2991550 -0.0238040 -1.1876010 H -0.8764160 -0.0501630 1.2573320 H 3.3802520 0.0403520 2.0962230 H 3.7728050 0.0702210 -0.3852230 H 0.9593140 0.0396770 -3.5027980 H 0.4791150 0.0427930 -4.0731480 H 3.6588020 -0.0515260 -2.9563820 H 4.3624150 -0.0769290 -3.2023300 timestep 181 15 0 0 0.000100 C 0.4822510 -0.0085700 -0.4316070 C 0.1623350 -0.0249500 0.9400170 C 1.2119360 -0.0070390 1.8781970 C 2.5392170 0.0267400 1.4091930 C 2.7641840 0.0414860 0.0190060 N 1.7586630 0.0242700 -0.8938680 H 1.0018730 -0.0191380 2.9446870 H -0.2981240 -0.0225010 -1.1884260 H -0.8764140 -0.0508090 1.2566700 H 3.3796910 0.0411660 2.0971790 H 3.7732090 0.0683000 -0.3845130 H 0.9630570 0.0401400 -3.5041190 H 0.4785090 0.0417740 -4.0710150 H 3.6583860 -0.0528980 -2.9530070 H 4.3581800 -0.0745860 -3.2074040 timestep 201 15 0 0 0.000100 C 0.4829390 -0.0085000 -0.4318270 C 0.1625050 -0.0250620 0.9394060 C 1.2114510 -0.0067170 1.8782630 C 2.5388780 0.0271730 1.4101950 C 2.7647910 0.0407350 0.0200700 N 1.7600610 0.0234860 -0.8935790 H 1.0009390 -0.0187690 2.9446540 H -0.2962230 -0.0206020 -1.1898200 H -0.8764570 -0.0516450 1.2553440 H 3.3786480 0.0426730 2.0990080 H 3.7741540 0.0650790 -0.3828480 H 0.9694460 0.0406430 -3.5061600 H 0.4778440 0.0404830 -4.0673830 H 3.6567870 -0.0546580 -2.9452110 H 4.3511890 -0.0709330 -3.2191230 timestep 221 15 0 0 0.000100 C 0.4825120 -0.0085440 -0.4316900 C 0.1623990 -0.0249950 0.9397850 C 1.2117510 -0.0069170 1.8782220 C 2.5390880 0.0269060 1.4095750 C 2.7644150 0.0412020 0.0194110 N 1.7591950 0.0239740 -0.8937580 H 1.0015170 -0.0189990 2.9446750 H -0.2974020 -0.0217790 -1.1889570 H -0.8764310 -0.0511310 1.2561660 H 3.3792940 0.0417410 2.0978760 H 3.7735690 0.0670770 -0.3838800 H 0.9654870 0.0403340 -3.5048970 H 0.4782540 0.0412850 -4.0696330 H 3.6577770 -0.0535620 -2.9500400 H 4.3555260 -0.0732090 -3.2118670 timestep 241 15 0 0 0.000100 C 0.4831290 -0.0085040 -0.4318390 C 0.1625910 -0.0251210 0.9393710 C 1.2116020 -0.0067530 1.8782960 C 2.5390180 0.0271380 1.4101940 C 2.7648670 0.0407210 0.0200260 N 1.7601860 0.0235530 -0.8936080 H 1.0009070 -0.0187030 2.9446600 H -0.2962700 -0.0203650 -1.1896400 H -0.8763210 -0.0516370 1.2554360 H 3.3789360 0.0425710 2.0988230 H 3.7742810 0.0649880 -0.3827700 H 0.9668320 0.0415620 -3.5049110 H 0.4791450 0.0396270 -4.0689810 H 3.6557460 -0.0556300 -2.9501000 H 4.3523020 -0.0700650 -3.2139670 timestep 261 15 0 0 0.000100 C 0.4840420 -0.0086890 -0.4321090 C 0.1628120 -0.0251310 0.9388910 C 1.2114240 -0.0065350 1.8784020 C 2.5390160 0.0271710 1.4109120 C 2.7654730 0.0402460 0.0207820 N 1.7613230 0.0230880 -0.8933450 H 1.0000280 -0.0181790 2.9446360 H -0.2951230 -0.0199770 -1.1901860 H -0.8761980 -0.0516330 1.2546020 H 3.3787430 0.0428050 2.0997630 H 3.7751730 0.0637610 -0.3813660 H 0.9669660 0.0429380 -3.5041670 H 0.4807960 0.0381940 -4.0692700 H 3.6530530 -0.0566760 -2.9508870 H 4.3494260 -0.0680000 -3.2156700 timestep 281 15 0 0 0.000100 C 0.4872050 -0.0095040 -0.4330940 C 0.1635430 -0.0249080 0.9373090 C 1.2107010 -0.0058690 1.8787360 C 2.5390020 0.0270560 1.4133840 C 2.7676460 0.0388060 0.0235000 N 1.7651560 0.0214860 -0.8922830 H 0.9970480 -0.0164340 2.9445430 H -0.2911470 -0.0202870 -1.1920880 H -0.8758800 -0.0508820 1.2516130 H 3.3779530 0.0429770 2.1031600 H 3.7782050 0.0611260 -0.3765970 H 0.9680630 0.0461470 -3.5019040 H 0.4859290 0.0350690 -4.0699790 H 3.6446900 -0.0576340 -2.9522540 H 4.3388370 -0.0637630 -3.2230560 timestep 301 15 0 0 0.000100 C 0.4925810 -0.0110510 -0.4348250 C 0.1648130 -0.0242750 0.9346670 C 1.2093480 -0.0046100 1.8792050 C 2.5389750 0.0266340 1.4175850 C 2.7715050 0.0364210 0.0282750 N 1.7716800 0.0186150 -0.8903210 H 0.9921900 -0.0133740 2.9443280 H -0.2841110 -0.0223440 -1.1955800 H -0.8754340 -0.0489680 1.2462630 H 3.3763130 0.0427220 2.1093070 H 3.7833600 0.0578030 -0.3686290 H 0.9714880 0.0488300 -3.4989270 H 0.4935620 0.0324750 -4.0704790 H 3.6312080 -0.0564540 -2.9519120 H 4.3194750 -0.0590420 -3.2379680 timestep 321 15 0 0 0.000100 C 0.4972240 -0.0124130 -0.4362940 C 0.1659730 -0.0235390 0.9324480 C 1.2081260 -0.0035380 1.8795670 C 2.5389610 0.0262380 1.4212660 C 2.7749850 0.0344370 0.0325620 N 1.7773920 0.0160670 -0.8884840 H 0.9882430 -0.0108350 2.9441410 H -0.2777030 -0.0249000 -1.1988300 H -0.8750750 -0.0469750 1.2414490 H 3.3746100 0.0423890 2.1150270 H 3.7878280 0.0555030 -0.3618540 H 0.9749860 0.0480570 -3.4970540 H 0.4993330 0.0329550 -4.0705680 H 3.6196910 -0.0534010 -2.9516750 H 4.3023800 -0.0566610 -3.2507110 timestep 341 15 0 0 0.000100 C 0.5021000 -0.0137960 -0.4377230 C 0.1672960 -0.0226890 0.9302290 C 1.2067890 -0.0023260 1.8799670 C 2.5389450 0.0258010 1.4252980 C 2.7788330 0.0323500 0.0373400 N 1.7835690 0.0132920 -0.8863370 H 0.9843730 -0.0082020 2.9440100 H -0.2705030 -0.0279160 -1.2025030 H -0.8746940 -0.0448090 1.2362100 H 3.3724500 0.0421080 2.1216360 H 3.7925900 0.0532070 -0.3547520 H 0.9786930 0.0447260 -3.4957300 H 0.5044120 0.0355830 -4.0708210 H 3.6067980 -0.0487210 -2.9525470 H 4.2853000 -0.0552250 -3.2632860 timestep 361 15 0 0 0.000100 C 0.5083900 -0.0156450 -0.4396150 C 0.1689600 -0.0215360 0.9273350 C 1.2052350 -0.0008510 1.8804050 C 2.5390590 0.0251030 1.4302050 C 2.7836530 0.0296330 0.0431570 N 1.7913030 0.0097290 -0.8837590 H 0.9794190 -0.0047360 2.9437370 H -0.2616880 -0.0317970 -1.2068770 H -0.8741390 -0.0416810 1.2296940 H 3.3701110 0.0413450 2.1294760 H 3.7986090 0.0503980 -0.3458320 H 0.9827580 0.0412060 -3.4940390 H 0.5110590 0.0379860 -4.0713510 H 3.5913890 -0.0426500 -2.9555810 H 4.2628350 -0.0531210 -3.2759650 timestep 381 15 0 0 0.000100 C 0.5044750 -0.0144960 -0.4384350 C 0.1679210 -0.0222640 0.9291400 C 1.2061970 -0.0017700 1.8801390 C 2.5389860 0.0255480 1.4271590 C 2.7806550 0.0313350 0.0395430 N 1.7864920 0.0119560 -0.8853590 H 0.9824950 -0.0068990 2.9439150 H -0.2671740 -0.0293850 -1.2041570 H -0.8744910 -0.0436470 1.2337510 H 3.3715650 0.0418330 2.1246080 H 3.7948670 0.0521570 -0.3513750 H 0.9802350 0.0434110 -3.4950900 H 0.5069270 0.0365110 -4.0710200 H 3.6009770 -0.0464420 -2.9537200 H 4.2768260 -0.0544630 -3.2681100 timestep 401 15 0 0 0.000100 C 0.5013160 -0.0136800 -0.4372820 C 0.1671230 -0.0226980 0.9308670 C 1.2068600 -0.0024970 1.8800160 C 2.5389860 0.0259110 1.4249480 C 2.7785240 0.0328820 0.0370620 N 1.7827490 0.0136860 -0.8862450 H 0.9853880 -0.0087360 2.9442440 H -0.2710700 -0.0287140 -1.2021870 H -0.8748970 -0.0447940 1.2368580 H 3.3722810 0.0420700 2.1215530 H 3.7919120 0.0544770 -0.3558970 H 0.9788430 0.0396380 -3.4985510 H 0.5008430 0.0403070 -4.0700690 H 3.6090780 -0.0453030 -2.9549390 H 4.2890160 -0.0591650 -3.2593890 timestep 421 15 0 0 0.000100 C 0.5064040 -0.0150640 -0.4384810 C 0.1685280 -0.0217080 0.9288120 C 1.2053880 -0.0012310 1.8806340 C 2.5389680 0.0254330 1.4294930 C 2.7826910 0.0306110 0.0424810 N 1.7893540 0.0105760 -0.8836410 H 0.9815630 -0.0060310 2.9443570 H -0.2631110 -0.0317780 -1.2061030 H -0.8745570 -0.0424040 1.2313930 H 3.3696670 0.0419170 2.1291950 H 3.7969420 0.0518020 -0.3482920 H 0.9837030 0.0338030 -3.5001910 H 0.5028530 0.0446030 -4.0698130 H 3.5957600 -0.0385310 -2.9579520 H 4.2728030 -0.0586140 -3.2709040 timestep 441 15 0 0 0.000100 C 0.5033040 -0.0142230 -0.4377490 C 0.1676690 -0.0223200 0.9300660 C 1.2062810 -0.0020030 1.8802630 C 2.5389780 0.0257320 1.4267310 C 2.7801540 0.0320030 0.0391840 N 1.7853320 0.0124780 -0.8852240 H 0.9838880 -0.0076820 2.9442940 H -0.2679600 -0.0299140 -1.2037190 H -0.8747680 -0.0438750 1.2347240 H 3.3712590 0.0420210 2.1245480 H 3.7938800 0.0534400 -0.3529190 H 0.9807510 0.0373650 -3.4991930 H 0.5016250 0.0420070 -4.0699670 H 3.6038690 -0.0426730 -2.9561400 H 4.2826900 -0.0589710 -3.2639080 timestep 461 15 0 0 0.000100 C 0.5039590 -0.0142920 -0.4376990 C 0.1678240 -0.0222570 0.9299220 C 1.2060660 -0.0017930 1.8805330 C 2.5389410 0.0257160 1.4275620 C 2.7806800 0.0315140 0.0400980 N 1.7862850 0.0119130 -0.8847420 H 0.9833390 -0.0072740 2.9444960 H -0.2667840 -0.0293210 -1.2041910 H -0.8747420 -0.0438310 1.2341470 H 3.3708270 0.0423310 2.1258390 H 3.7945710 0.0520770 -0.3516520 H 0.9823000 0.0372540 -3.5015040 H 0.4997410 0.0414390 -4.0694880 H 3.6026180 -0.0426130 -2.9573010 H 4.2813280 -0.0574780 -3.2650310 timestep 481 15 0 0 0.000100 C 0.5057680 -0.0147320 -0.4377850 C 0.1682040 -0.0219370 0.9294450 C 1.2055370 -0.0012550 1.8811620 C 2.5388560 0.0256070 1.4295270 C 2.7819500 0.0302910 0.0422590 N 1.7885580 0.0106220 -0.8835980 H 0.9816280 -0.0060700 2.9448880 H -0.2642240 -0.0291650 -1.2050690 H -0.8746310 -0.0431310 1.2327340 H 3.3700830 0.0424590 2.1285740 H 3.7963110 0.0495480 -0.3483710 H 0.9851130 0.0374040 -3.5059960 H 0.4963430 0.0402390 -4.0689680 H 3.5998870 -0.0419020 -2.9588520 H 4.2775700 -0.0545930 -3.2689610 timestep 501 15 0 0 0.000100 C 0.5068020 -0.0150990 -0.4378000 C 0.1683870 -0.0217210 0.9292570 C 1.2052520 -0.0008870 1.8816000 C 2.5388150 0.0253960 1.4306460 C 2.7826010 0.0295510 0.0434690 N 1.7897170 0.0098980 -0.8828910 H 0.9805330 -0.0051450 2.9451650 H -0.2630430 -0.0295510 -1.2052760 H -0.8745680 -0.0424780 1.2321210 H 3.3698600 0.0421720 2.1299090 H 3.7972450 0.0484700 -0.3464450 H 0.9857360 0.0375900 -3.5088160 H 0.4940350 0.0396780 -4.0691540 H 3.5990520 -0.0415620 -2.9600880 H 4.2765280 -0.0529270 -3.2707100 timestep 521 15 0 0 0.000100 C 0.5078870 -0.0154670 -0.4378550 C 0.1686110 -0.0213910 0.9290460 C 1.2049620 -0.0005840 1.8820100 C 2.5387890 0.0251450 1.4317850 C 2.7833310 0.0288360 0.0447250 N 1.7909470 0.0091480 -0.8821500 H 0.9794560 -0.0042990 2.9454130 H -0.2617510 -0.0302600 -1.2055580 H -0.8744950 -0.0416000 1.2314000 H 3.3696030 0.0417620 2.1313280 H 3.7982340 0.0477150 -0.3445120 H 0.9855420 0.0376490 -3.5108980 H 0.4923750 0.0393070 -4.0698780 H 3.5980310 -0.0411510 -2.9614690 H 4.2754290 -0.0514260 -3.2723970 timestep 541 15 0 0 0.000100 C 0.5083050 -0.0156320 -0.4378020 C 0.1686970 -0.0211990 0.9290470 C 1.2048340 -0.0003960 1.8822440 C 2.5387750 0.0249610 1.4323120 C 2.7836280 0.0284810 0.0453060 N 1.7914250 0.0087840 -0.8817640 H 0.9790380 -0.0038700 2.9455860 H -0.2612360 -0.0307080 -1.2056020 H -0.8744800 -0.0410910 1.2311780 H 3.3694880 0.0414450 2.1319810 H 3.7986190 0.0474480 -0.3436910 H 0.9847470 0.0375960 -3.5120420 H 0.4911530 0.0391910 -4.0706090 H 3.5982130 -0.0409580 -2.9622890 H 4.2757480 -0.0506690 -3.2728670 timestep 561 15 0 0 0.000100 C 0.5089750 -0.0158730 -0.4377080 C 0.1688380 -0.0208160 0.9290500 C 1.2046180 -0.0001390 1.8826220 C 2.5387430 0.0246650 1.4331840 C 2.7841190 0.0278460 0.0462710 N 1.7922240 0.0081280 -0.8811320 H 0.9783820 -0.0032110 2.9458700 H -0.2603480 -0.0313710 -1.2057180 H -0.8744630 -0.0401730 1.2307910 H 3.3692460 0.0409700 2.1331090 H 3.7992500 0.0468700 -0.3423530 H 0.9830490 0.0374750 -3.5137110 H 0.4891710 0.0388830 -4.0720240 H 3.5988370 -0.0406490 -2.9631850 H 4.2763100 -0.0492220 -3.2740760 timestep 581 15 0 0 0.000100 C 0.5092930 -0.0160120 -0.4374920 C 0.1688950 -0.0204680 0.9292190 C 1.2044690 0.0001110 1.8829730 C 2.5387030 0.0243810 1.4338140 C 2.7843830 0.0272730 0.0469620 N 1.7926440 0.0075670 -0.8806240 H 0.9780520 -0.0026670 2.9461820 H -0.2598430 -0.0317990 -1.2056710 H -0.8744910 -0.0393800 1.2307120 H 3.3690440 0.0405370 2.1339380 H 3.7995730 0.0462440 -0.3415050 H 0.9807230 0.0370480 -3.5154870 H 0.4865770 0.0387030 -4.0735620 H 3.6008390 -0.0402470 -2.9636690 H 4.2780900 -0.0479070 -3.2748010 timestep 601 15 0 0 0.000100 C 0.5100040 -0.0162430 -0.4373670 C 0.1690550 -0.0199630 0.9292050 C 1.2041960 0.0004990 1.8833770 C 2.5386360 0.0240230 1.4348120 C 2.7849490 0.0263160 0.0480770 N 1.7935970 0.0066040 -0.8799400 H 0.9773810 -0.0017980 2.9464990 H -0.2587130 -0.0322240 -1.2059380 H -0.8744910 -0.0382860 1.2302010 H 3.3686200 0.0401040 2.1353620 H 3.8002950 0.0449020 -0.3400070 H 0.9780660 0.0363770 -3.5172550 H 0.4838970 0.0383130 -4.0753680 H 3.6026740 -0.0394760 -2.9633200 H 4.2787860 -0.0457630 -3.2773490 timestep 621 15 0 0 0.000100 C 0.5103170 -0.0163260 -0.4372590 C 0.1691220 -0.0197230 0.9292200 C 1.2040640 0.0007370 1.8835890 C 2.5386030 0.0238710 1.4353120 C 2.7852170 0.0257140 0.0486320 N 1.7940730 0.0060270 -0.8796160 H 0.9771100 -0.0013030 2.9466810 H -0.2581260 -0.0320840 -1.2060940 H -0.8745020 -0.0378020 1.2299710 H 3.3683640 0.0400150 2.1361240 H 3.8006400 0.0437090 -0.3392870 H 0.9765150 0.0355900 -3.5186120 H 0.4817730 0.0381410 -4.0761540 H 3.6041890 -0.0386350 -2.9632040 H 4.2795930 -0.0445480 -3.2783140 timestep 641 15 0 0 0.000100 C 0.5108650 -0.0164390 -0.4373700 C 0.1692740 -0.0194820 0.9289540 C 1.2039010 0.0010360 1.8836550 C 2.5385800 0.0237460 1.4358250 C 2.7856600 0.0249560 0.0492260 N 1.7948650 0.0052910 -0.8793990 H 0.9766850 -0.0006840 2.9466910 H -0.2571900 -0.0317500 -1.2065840 H -0.8744590 -0.0373580 1.2293460 H 3.3680170 0.0400660 2.1370120 H 3.8012200 0.0420380 -0.3383920 H 0.9751390 0.0347650 -3.5187900 H 0.4808430 0.0377610 -4.0766900 H 3.6046390 -0.0373640 -2.9622540 H 4.2789140 -0.0431990 -3.2802410 timestep 661 15 0 0 0.000100 C 0.5108650 -0.0164390 -0.4373700 C 0.1692740 -0.0194820 0.9289540 C 1.2039010 0.0010360 1.8836550 C 2.5385800 0.0237460 1.4358250 C 2.7856600 0.0249560 0.0492260 N 1.7948650 0.0052910 -0.8793990 H 0.9766850 -0.0006840 2.9466910 H -0.2571900 -0.0317500 -1.2065840 H -0.8744590 -0.0373580 1.2293460 H 3.3680170 0.0400660 2.1370120 H 3.8012200 0.0420380 -0.3383920 H 0.9751390 0.0347650 -3.5187900 H 0.4808430 0.0377610 -4.0766900 H 3.6046390 -0.0373640 -2.9622540 H 4.2789140 -0.0431990 -3.2802410 timestep 681 15 0 0 0.000100 C 0.5108650 -0.0164390 -0.4373700 C 0.1692740 -0.0194820 0.9289540 C 1.2039010 0.0010360 1.8836550 C 2.5385800 0.0237460 1.4358250 C 2.7856600 0.0249560 0.0492260 N 1.7948650 0.0052910 -0.8793990 H 0.9766850 -0.0006840 2.9466910 H -0.2571900 -0.0317500 -1.2065840 H -0.8744590 -0.0373580 1.2293460 H 3.3680170 0.0400660 2.1370120 H 3.8012200 0.0420380 -0.3383920 H 0.9751390 0.0347650 -3.5187900 H 0.4808430 0.0377610 -4.0766900 H 3.6046390 -0.0373640 -2.9622540 H 4.2789140 -0.0431990 -3.2802410