pyridine4Hp2.log 0 0 15 timestep 1 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 21 15 0 0 0.000100 C 0.5032180 -0.0292740 -0.4589570 C 0.1653160 -0.0478800 0.9445460 C 1.2002320 0.0010690 1.9008650 C 2.5358390 0.0521650 1.4519140 C 2.8015830 0.0377180 0.0328670 N 1.7927770 0.0054180 -0.8691650 H 0.9725010 -0.0006010 2.9658800 H -0.2672660 0.0119160 -1.2297150 H -0.8833030 -0.0312490 1.2378960 H 3.3726370 0.0340230 2.1485740 H 3.8200550 -0.0020110 -0.3552770 H 0.9716580 0.0179100 -3.5211410 H 0.4716460 0.0209150 -4.0878020 H 3.6085060 -0.0204730 -2.9627940 H 4.2915550 -0.0262640 -3.2867010 timestep 41 15 0 0 0.000100 C 0.4934840 -0.0466110 -0.4893460 C 0.1607980 -0.0882800 0.9662420 C 1.1952410 0.0011100 1.9243000 C 2.5311320 0.0926040 1.4739030 C 2.8230700 0.0549420 0.0094270 N 1.7896310 0.0055730 -0.8538190 H 0.9667790 -0.0004980 2.9921150 H -0.2767810 0.0736930 -1.2590130 H -0.8931330 -0.0223550 1.2478890 H 3.3775910 0.0252530 2.1619270 H 3.8409370 -0.0643100 -0.3779510 H 0.9660100 -0.0062390 -3.5239550 H 0.4578430 -0.0032920 -4.1029420 H 3.6144270 0.0037200 -2.9627970 H 4.3099230 -0.0019270 -3.2949910 timestep 61 15 0 0 0.000100 C 0.4967960 -0.0690640 -0.5063470 C 0.1637050 -0.1755950 0.9604530 C 1.2018760 0.0011820 1.8938660 C 2.5311020 0.1801220 1.4682940 C 2.8273880 0.0770910 -0.0066860 N 1.7792660 0.0055920 -0.8038120 H 0.9727440 -0.0005080 2.9635710 H -0.2615530 0.1923960 -1.2517150 H -0.8931690 -0.0650450 1.2205200 H 3.3889050 0.0684320 2.1379890 H 3.8243110 -0.1840640 -0.3768700 H 0.9626760 -0.0169720 -3.5003540 H 0.4604360 -0.0091150 -4.0771120 H 3.6066500 0.0146620 -2.9390030 H 4.2958200 0.0042710 -3.2718060 timestep 81 15 0 0 0.000100 C 0.5003730 -0.0663000 -0.5249640 C 0.1661350 -0.2479410 0.9388410 C 1.2114040 0.0010960 1.8497280 C 2.5379960 0.2526190 1.4486910 C 2.8327770 0.0740810 -0.0238790 N 1.7667810 0.0053140 -0.7415920 H 0.9811730 -0.0008690 2.9227310 H -0.2477710 0.3073920 -1.2349590 H -0.8958480 -0.1938430 1.1969710 H 3.4007780 0.1980760 2.1194420 H 3.8058690 -0.2996670 -0.3657480 H 0.9625790 0.0141050 -3.4727010 H 0.4714160 0.0322520 -4.0437950 H 3.5933900 -0.0161170 -2.9125760 H 4.2699010 -0.0368150 -3.2452010 timestep 101 15 0 0 0.000100 C 0.4991880 -0.0646330 -0.5274940 C 0.1639970 -0.2474800 0.9325260 C 1.2120630 0.0010590 1.8461070 C 2.5426750 0.2519160 1.4447340 C 2.8362310 0.0721060 -0.0243870 N 1.7667460 0.0050590 -0.7366270 H 0.9817300 -0.0006910 2.9173590 H -0.2487790 0.3313940 -1.2263130 H -0.8946060 -0.2354970 1.2049230 H 3.3958810 0.2399870 2.1279470 H 3.8049250 -0.3234480 -0.3556120 H 0.9700900 0.0243740 -3.4761370 H 0.4834920 0.0450120 -4.0453160 H 3.5861140 -0.0262850 -2.9186260 H 4.2572050 -0.0494900 -3.2520930 timestep 121 15 0 0 0.000100 C 0.5021270 -0.0638140 -0.5246620 C 0.1681180 -0.2617370 0.9313940 C 1.2111110 0.0009890 1.8497980 C 2.5396090 0.2660740 1.4436980 C 2.8346150 0.0713120 -0.0208370 N 1.7684800 0.0049470 -0.7369180 H 0.9803800 -0.0008320 2.9195570 H -0.2517240 0.3378220 -1.2148490 H -0.8869230 -0.2874460 1.2140640 H 3.3843030 0.2918990 2.1360760 H 3.8056810 -0.3291860 -0.3408670 H 0.9941980 0.0571080 -3.4831450 H 0.5120150 0.0842750 -4.0546720 H 3.5638380 -0.0589710 -2.9344400 H 4.2311240 -0.0890560 -3.2732080 timestep 141 15 0 0 0.000100 C 0.5051520 -0.0681220 -0.5205940 C 0.1702460 -0.2731060 0.9330890 C 1.2099780 0.0009010 1.8540670 C 2.5372320 0.2772710 1.4464460 C 2.8329900 0.0756490 -0.0157510 N 1.7708740 0.0048320 -0.7383720 H 0.9785080 -0.0008950 2.9229660 H -0.2526130 0.3340280 -1.2060060 H -0.8831720 -0.3175720 1.2189170 H 3.3779070 0.3219740 2.1425220 H 3.8063490 -0.3245970 -0.3286010 H 1.0198520 0.0821570 -3.4891820 H 0.5411540 0.1150630 -4.0640350 H 3.5389340 -0.0839870 -2.9497430 H 4.2035620 -0.1202140 -3.2947360 timestep 161 15 0 0 0.000100 C 0.5095090 -0.0759520 -0.5165830 C 0.1738570 -0.2878110 0.9357770 C 1.2086960 0.0008160 1.8585110 C 2.5332840 0.2918140 1.4507790 C 2.8318410 0.0836930 -0.0097260 N 1.7742080 0.0047480 -0.7384310 H 0.9758660 -0.0010750 2.9269370 H -0.2532090 0.3220330 -1.1988760 H -0.8788220 -0.3482940 1.2212760 H 3.3715130 0.3523940 2.1485700 H 3.8094440 -0.3113200 -0.3156700 H 1.0514440 0.1141700 -3.4942570 H 0.5766790 0.1549180 -4.0728940 H 3.5056920 -0.1159900 -2.9657710 H 4.1669510 -0.1607620 -3.3186510 timestep 181 15 0 0 0.000100 C 0.5153290 -0.0887600 -0.5135670 C 0.1785540 -0.3039370 0.9383910 C 1.2073390 0.0006780 1.8625700 C 2.5286750 0.3076410 1.4564050 C 2.8321940 0.0969110 -0.0030190 N 1.7791480 0.0047210 -0.7375890 H 0.9723170 -0.0013110 2.9305930 H -0.2526400 0.2997160 -1.1952760 H -0.8742840 -0.3765660 1.2206390 H 3.3655240 0.3800810 2.1548150 H 3.8158270 -0.2869750 -0.3031130 H 1.0852400 0.1523560 -3.4981110 H 0.6140470 0.2031700 -4.0799100 H 3.4662220 -0.1541850 -2.9801360 H 4.1234640 -0.2101570 -3.3417030 timestep 201 15 0 0 0.000100 C 0.5253420 -0.1105790 -0.5123330 C 0.1867060 -0.3272840 0.9396540 C 1.2058700 0.0003520 1.8657090 C 2.5221780 0.3304440 1.4634560 C 2.8348750 0.1198570 0.0052810 N 1.7878140 0.0049770 -0.7354090 H 0.9669240 -0.0019920 2.9331680 H -0.2492480 0.2605720 -1.1960250 H -0.8669150 -0.4138560 1.2153870 H 3.3574130 0.4160440 2.1625020 H 3.8278490 -0.2437990 -0.2883090 H 1.1254070 0.2110210 -3.5008100 H 0.6573030 0.2779900 -4.0843550 H 3.4120090 -0.2129350 -2.9924150 H 4.0634270 -0.2874270 -3.3645130 timestep 221 15 0 0 0.000100 C 0.5473980 -0.1529740 -0.5153330 C 0.2046100 -0.3706890 0.9364110 C 1.2043180 -0.0008670 1.8662780 C 2.5105890 0.3724200 1.4726210 C 2.8418510 0.1662590 0.0170350 N 1.8064030 0.0066400 -0.7328640 H 0.9572780 -0.0046400 2.9324160 H -0.2372120 0.1845300 -1.2048420 H -0.8497670 -0.4836050 1.2000760 H 3.3411680 0.4820920 2.1741390 H 3.8511370 -0.1570990 -0.2664780 H 1.1815150 0.3254420 -3.5018480 H 0.7151970 0.4250740 -4.0827890 H 3.3209950 -0.3277320 -2.9988610 H 3.9614710 -0.4414680 -3.3849710 timestep 241 15 0 0 0.000100 C 0.6264210 -0.2658700 -0.5402970 C 0.2688560 -0.4903680 0.9080870 C 1.2052730 -0.0083230 1.8479990 C 2.4757170 0.4855510 1.4803590 C 2.8573230 0.3027260 0.0323060 N 1.8657830 0.0192870 -0.7426160 H 0.9348760 -0.0214640 2.9098480 H -0.1752370 -0.0182370 -1.2478130 H -0.7832270 -0.6770070 1.1387340 H 3.2877410 0.6568330 2.1919900 H 3.9005360 0.0923000 -0.2301790 H 1.2915490 0.6574440 -3.4853820 H 0.8197290 0.8486990 -4.0392920 H 3.0880290 -0.6607780 -2.9563270 H 3.6935840 -0.8974100 -3.3564280 timestep 261 15 0 0 0.000100 C 0.6561190 -0.3495220 -0.5726860 C 0.3323560 -0.6042060 0.8678450 C 1.2225910 -0.0173160 1.8139240 C 2.4411040 0.5969260 1.4108020 C 2.8575840 0.3776740 -0.0107990 N 1.8840390 0.0070200 -0.7746220 H 0.9613680 -0.0320380 2.8720110 H -0.1547990 -0.2086450 -1.2985110 H -0.6450770 -0.9987180 1.1474390 H 3.1710480 0.9737810 2.1285400 H 3.9264500 0.2579840 -0.2428220 H 1.5184720 1.0063390 -3.4021460 H 1.0807730 1.2859400 -3.9507620 H 2.7797990 -0.9689490 -2.8369230 H 3.3251240 -1.3028890 -3.2402990 timestep 281 15 0 0 0.000100 C 0.6933360 -0.3797000 -0.5915920 C 0.3471550 -0.6102820 0.8499160 C 1.2223810 -0.0166170 1.7941130 C 2.4412720 0.5986200 1.4183910 C 2.8631240 0.4187280 -0.0110140 N 1.9084100 0.0139640 -0.7810850 H 0.9463190 -0.0333700 2.8518590 H -0.1066590 -0.2522070 -1.3316070 H -0.6636520 -0.9412160 1.0964570 H 3.1983830 0.9107160 2.1409220 H 3.9294490 0.3271380 -0.2567040 H 1.4609680 1.0605250 -3.3919080 H 1.0018730 1.3457360 -3.9165160 H 2.7833910 -1.0302050 -2.7862300 H 3.3312040 -1.3884450 -3.1740150 timestep 301 15 0 0 0.000100 C 0.7134190 -0.4231210 -0.6101740 C 0.3653130 -0.6301820 0.8318860 C 1.2269060 -0.0144150 1.7702960 C 2.4345170 0.6160630 1.3928890 C 2.8593110 0.4450030 -0.0360550 N 1.9169830 0.0035670 -0.7995570 H 0.9484300 -0.0264830 2.8279690 H -0.0806770 -0.3235720 -1.3604470 H -0.6460300 -0.9619860 1.0757050 H 3.1912650 0.9347500 2.1130680 H 3.9255690 0.3759020 -0.2855760 H 1.4766720 1.1466980 -3.3488110 H 1.0157850 1.4576990 -3.8562750 H 2.7349810 -1.0962810 -2.7145110 H 3.2745090 -1.4802600 -3.0894180 timestep 321 15 0 0 0.000100 C 0.6912380 -0.4462530 -0.6082050 C 0.3445430 -0.5979930 0.8410910 C 1.2249100 -0.0004820 1.7620000 C 2.4450200 0.5854360 1.3793400 C 2.8486780 0.4155090 -0.0595680 N 1.8940700 -0.0246210 -0.8080860 H 0.9489510 0.0058440 2.8227860 H -0.1027890 -0.3413700 -1.3575460 H -0.6931050 -0.8509550 1.0738470 H 3.2389640 0.8481620 2.0832750 H 3.9066910 0.3199990 -0.3236980 H 1.4278600 1.0900580 -3.3208330 H 0.9647710 1.4044410 -3.8220790 H 2.8263500 -1.0137720 -2.6911490 H 3.3908020 -1.3706210 -3.0601870 timestep 341 15 0 0 0.000100 C 0.7049570 -0.5034380 -0.6308500 C 0.3631240 -0.6271110 0.8180410 C 1.2308780 0.0085370 1.7280240 C 2.4361220 0.6166760 1.3295050 C 2.8420620 0.4273440 -0.1034910 N 1.8979950 -0.0548640 -0.8387160 H 0.9564720 0.0302430 2.7882820 H -0.0830920 -0.4461270 -1.3912880 H -0.6636460 -0.9098490 1.0629220 H 3.2173590 0.9259960 2.0280850 H 3.9018960 0.3555080 -0.3703040 H 1.4719970 1.2054590 -3.2377490 H 1.0149560 1.5605710 -3.7172720 H 2.7566560 -1.0894930 -2.5991400 H 3.3092170 -1.4760690 -2.9550590 timestep 361 15 0 0 0.000100 C 0.6853110 -0.5589270 -0.6426020 C 0.3534010 -0.6228710 0.8088550 C 1.2320740 0.0312840 1.6963730 C 2.4369410 0.6206740 1.2699870 C 2.8292020 0.3869090 -0.1578430 N 1.8794180 -0.1163280 -0.8730090 H 0.9654020 0.0858160 2.7569960 H -0.1019110 -0.5400260 -1.4053440 H -0.6727590 -0.8920200 1.0707800 H 3.2216240 0.9570350 1.9514330 H 3.8860730 0.3049660 -0.4333180 H 1.4896960 1.2388650 -3.1328270 H 1.0435910 1.6291580 -3.5946540 H 2.7723100 -1.0616480 -2.5264120 H 3.3365800 -1.4395030 -2.8774250 timestep 381 15 0 0 0.000100 C 0.6690920 -0.5901120 -0.6498710 C 0.3425550 -0.6170390 0.8018970 C 1.2295390 0.0537480 1.6755890 C 2.4381090 0.6251620 1.2262520 C 2.8280240 0.3358350 -0.1864530 N 1.8740110 -0.1763890 -0.8980660 H 0.9664900 0.1377550 2.7336620 H -0.1235510 -0.5993930 -1.4068980 H -0.6775330 -0.8863600 1.0842180 H 3.2112330 1.0034190 1.8975580 H 3.8850540 0.2408150 -0.4594990 H 1.5046570 1.2488030 -3.0493120 H 1.0673200 1.6594120 -3.5018280 H 2.7846470 -1.0250530 -2.4970280 H 3.3573050 -1.3872210 -2.8592320 timestep 401 15 0 0 0.000100 C 0.6851580 -0.6154600 -0.6619530 C 0.3461380 -0.6190710 0.7871820 C 1.2248380 0.0722760 1.6560830 C 2.4367600 0.6367710 1.2016620 C 2.8412200 0.3115950 -0.1947510 N 1.8954040 -0.2165080 -0.9115920 H 0.9534100 0.1771360 2.7094910 H -0.1067350 -0.6466250 -1.4189880 H -0.6730350 -0.8894060 1.0707820 H 3.1955680 1.0433640 1.8721910 H 3.9008070 0.2149900 -0.4573910 H 1.5049340 1.2745470 -2.9885990 H 1.0647320 1.6988920 -3.4254740 H 2.7608700 -1.0271260 -2.4749340 H 3.3268840 -1.3919920 -2.8527210 timestep 421 15 0 0 0.000100 C 0.7421820 -0.6928010 -0.6959370 C 0.3537310 -0.6107120 0.7387180 C 1.2082130 0.1331700 1.5924580 C 2.4377070 0.6604130 1.1332660 C 2.8876020 0.2329880 -0.2087230 N 1.9708940 -0.3413510 -0.9442430 H 0.9074410 0.3035540 2.6280980 H -0.0394640 -0.7849130 -1.4577390 H -0.6730690 -0.8622300 1.0102450 H 3.1645830 1.1284400 1.7981680 H 3.9542730 0.1281680 -0.4348730 H 1.4804930 1.3253980 -2.8078480 H 1.0247430 1.7803300 -3.1932970 H 2.6973450 -1.0071910 -2.4043690 H 3.2402800 -1.3698800 -2.8429370 timestep 441 15 0 0 0.000100 C 0.8445910 -0.8120440 -0.7513190 C 0.3717550 -0.5914460 0.6397050 C 1.1849690 0.2280070 1.4663390 C 2.4447760 0.6911670 1.0174000 C 2.9655300 0.1219360 -0.2238030 N 2.1022010 -0.5265570 -0.9888770 H 0.8327150 0.5010640 2.4618670 H 0.0945650 -0.9980530 -1.5257990 H -0.6708600 -0.8071180 0.8774370 H 3.1267950 1.2435610 1.6636750 H 4.0424340 0.0190710 -0.3890430 H 1.4256260 1.4024730 -2.4937710 H 0.9401820 1.8944600 -2.7799750 H 2.5819740 -0.9902830 -2.2593810 H 3.0697010 -1.3528550 -2.8034670 timestep 461 15 0 0 0.000100 C 0.8429890 -0.8222280 -0.7427420 C 0.3630860 -0.5659460 0.6338910 C 1.1824800 0.2442290 1.4583970 C 2.4575710 0.6730700 1.0226820 C 2.9784150 0.0981650 -0.2117430 N 2.1071920 -0.5466280 -0.9792980 H 0.8240040 0.5358180 2.4473500 H 0.1040770 -1.0304460 -1.5209590 H -0.6893650 -0.7547700 0.8508190 H 3.1541410 1.2009780 1.6743180 H 4.0549740 0.0015640 -0.3759200 H 1.3776190 1.3944430 -2.4854990 H 0.8835080 1.8779430 -2.7714130 H 2.6093320 -0.9669790 -2.2587480 H 3.1069300 -1.3158320 -2.8301470 timestep 481 15 0 0 0.000100 C 0.8820340 -0.8951590 -0.7466100 C 0.3693370 -0.5228930 0.5656940 C 1.1746510 0.2919270 1.3848920 C 2.4832490 0.6530080 1.0003550 C 3.0285000 0.0789750 -0.2122100 N 2.1514460 -0.5863680 -0.9712370 H 0.7809300 0.6413830 2.3430380 H 0.2053520 -1.1918060 -1.5495210 H -0.6983480 -0.6759910 0.7279810 H 3.1931960 1.1350100 1.6734910 H 4.1058000 0.0292160 -0.3775550 H 1.2853910 1.4812470 -2.3641790 H 0.7683330 1.9671040 -2.6021700 H 2.5763790 -0.9991720 -2.1576470 H 3.0507040 -1.3830990 -2.8033340 timestep 501 15 0 0 0.000100 C 0.9026690 -0.9416330 -0.7482200 C 0.3722300 -0.4789880 0.5097480 C 1.1740570 0.3233160 1.3378410 C 2.4987620 0.6236410 0.9744610 C 3.0453960 0.0375960 -0.2222280 N 2.1854490 -0.6470090 -0.9938120 H 0.7661760 0.7153860 2.2728040 H 0.2550130 -1.2917660 -1.5512710 H -0.7033570 -0.5972760 0.6470900 H 3.2113320 1.0939010 1.6531280 H 4.1194130 0.0082510 -0.3992320 H 1.2158330 1.5123700 -2.2761490 H 0.6860220 1.9953080 -2.4868250 H 2.5804120 -0.9798430 -2.0518850 H 3.0475450 -1.3498720 -2.7544600 timestep 521 15 0 0 0.000100 C 0.8917130 -0.9180000 -0.7473490 C 0.3702220 -0.5017880 0.5397550 C 1.1743060 0.3070310 1.3629410 C 2.4910190 0.6389730 0.9881720 C 3.0368080 0.0590170 -0.2168080 N 2.1674450 -0.6158040 -0.9818810 H 0.7737070 0.6769140 2.3102750 H 0.2285670 -1.2402080 -1.5506300 H -0.7014370 -0.6381370 0.6903870 H 3.2023720 1.1151170 1.6639960 H 4.1126320 0.0188760 -0.3875510 H 1.2521490 1.4961690 -2.3231980 H 0.7289520 1.9807350 -2.5483230 H 2.5789750 -0.9890050 -2.1077340 H 3.0495230 -1.3665070 -2.7810620 timestep 541 15 0 0 0.000100 C 0.8793700 -0.9049960 -0.7196900 C 0.3694940 -0.4718220 0.5515640 C 1.1812250 0.2877390 1.4129840 C 2.5009020 0.5906320 1.0416720 C 3.0224250 0.0691530 -0.2021900 N 2.1628380 -0.5967460 -0.9847530 H 0.7871980 0.6461840 2.3653080 H 0.2315380 -1.2555760 -1.5228890 H -0.6997190 -0.6076910 0.7195490 H 3.2197980 1.0307090 1.7337900 H 4.0926340 0.0510380 -0.4033150 H 1.2135450 1.5416560 -2.4574470 H 0.6902220 2.0065080 -2.7150330 H 2.6127240 -0.9936140 -2.1060440 H 3.0927590 -1.3697940 -2.8025170 timestep 561 15 0 0 0.000100 C 0.8892080 -0.9082320 -0.7339190 C 0.3733380 -0.4944090 0.5476190 C 1.1816360 0.2906360 1.3968780 C 2.5026220 0.6091810 1.0286740 C 3.0410100 0.0546020 -0.1923910 N 2.1781750 -0.6126650 -0.9725710 H 0.7814740 0.6535850 2.3449880 H 0.2356970 -1.2510980 -1.5365710 H -0.6952390 -0.6356380 0.7154580 H 3.2097220 1.0766830 1.7146760 H 4.1153200 0.0250870 -0.3762530 H 1.2103450 1.5659740 -2.4410500 H 0.6873230 2.0297850 -2.6950250 H 2.5960740 -1.0004970 -2.0837290 H 3.0502480 -1.3796100 -2.8057950 timestep 581 15 0 0 0.000100 C 0.8745310 -0.9054570 -0.7312590 C 0.3730920 -0.5129360 0.5624850 C 1.1909780 0.2672990 1.4123560 C 2.5086630 0.5990530 1.0367120 C 3.0367530 0.0496060 -0.1934540 N 2.1641010 -0.6079790 -0.9653330 H 0.7955660 0.6208070 2.3656680 H 0.2155920 -1.2398640 -1.5332010 H -0.6928440 -0.6529560 0.7465530 H 3.2159470 1.0733880 1.7171760 H 4.1084320 0.0099550 -0.3955240 H 1.1944970 1.6195770 -2.5192110 H 0.6780520 2.0776020 -2.7943510 H 2.6215510 -1.0014200 -2.0223370 H 3.0720430 -1.3732930 -2.7752900 timestep 601 15 0 0 0.000100 C 0.8991490 -0.8945720 -0.7354470 C 0.3798070 -0.5072480 0.5522130 C 1.1919630 0.2693490 1.4110270 C 2.5168260 0.5927410 1.0481270 C 3.0600120 0.0330130 -0.1631800 N 2.2011900 -0.6308820 -0.9595480 H 0.7876120 0.6224570 2.3604420 H 0.2446860 -1.2346490 -1.5378730 H -0.6874330 -0.6431050 0.7274960 H 3.2116730 1.0802380 1.7311030 H 4.1351210 -0.0067720 -0.3457290 H 1.1502450 1.6547460 -2.5432540 H 0.6240150 2.1021250 -2.8215860 H 2.6167710 -1.0215510 -2.0055130 H 3.0253160 -1.3925060 -2.8072890 timestep 621 15 0 0 0.000100 C 0.8915000 -0.8880810 -0.7290110 C 0.3777730 -0.5063920 0.5637630 C 1.1942640 0.2620530 1.4248600 C 2.5178040 0.5864840 1.0587180 C 3.0541270 0.0366510 -0.1619800 N 2.1900440 -0.6207960 -0.9561200 H 0.7956820 0.6068810 2.3798790 H 0.2340650 -1.2206990 -1.5324140 H -0.6890660 -0.6424330 0.7415540 H 3.2175740 1.0635390 1.7442580 H 4.1279090 -0.0077380 -0.3498890 H 1.1456000 1.6568610 -2.5804340 H 0.6213040 2.0993860 -2.8707900 H 2.6331040 -1.0199880 -2.0078640 H 3.0452670 -1.3823450 -2.8135420 timestep 641 15 0 0 0.000100 C 0.8971770 -0.8883450 -0.7251830 C 0.3789040 -0.4961070 0.5617610 C 1.1948430 0.2634670 1.4276250 C 2.5219530 0.5757380 1.0668610 C 3.0580420 0.0328170 -0.1555690 N 2.1957200 -0.6235190 -0.9555000 H 0.7957370 0.6105910 2.3817230 H 0.2428570 -1.2207530 -1.5310610 H -0.6899950 -0.6265520 0.7308290 H 3.2242200 1.0415880 1.7578160 H 4.1312920 -0.0108680 -0.3427090 H 1.1205230 1.6683310 -2.5960940 H 0.5930330 2.1035490 -2.8930820 H 2.6456720 -1.0261030 -1.9949040 H 3.0469750 -1.3804520 -2.8215240 timestep 661 15 0 0 0.000100 C 0.9025070 -0.8881690 -0.7251930 C 0.3793250 -0.4918360 0.5603470 C 1.1936860 0.2681490 1.4257360 C 2.5230960 0.5747560 1.0684350 C 3.0623790 0.0278190 -0.1508390 N 2.2012970 -0.6275420 -0.9534870 H 0.7930190 0.6195700 2.3777110 H 0.2477830 -1.2159250 -1.5326770 H -0.6908740 -0.6200000 0.7229650 H 3.2255710 1.0369100 1.7618630 H 4.1364150 -0.0189630 -0.3315320 H 1.1090720 1.6657730 -2.5904800 H 0.5795520 2.0965800 -2.8906510 H 2.6507850 -1.0285640 -1.9970660 H 3.0433400 -1.3751760 -2.8341440 timestep 681 15 0 0 0.000100 C 0.9065720 -0.8895350 -0.7258650 C 0.3798660 -0.4887150 0.5574100 C 1.1925230 0.2729440 1.4220100 C 2.5238980 0.5747810 1.0680860 C 3.0656410 0.0238880 -0.1488980 N 2.2059440 -0.6311670 -0.9525360 H 0.7896470 0.6297630 2.3711050 H 0.2525050 -1.2133530 -1.5354560 H -0.6910820 -0.6158010 0.7160280 H 3.2265540 1.0336200 1.7636870 H 4.1401890 -0.0251300 -0.3254010 H 1.1011230 1.6630700 -2.5791530 H 0.5705310 2.0902160 -2.8827680 H 2.6543310 -1.0305850 -1.9960340 H 3.0387120 -1.3706150 -2.8412290 timestep 701 15 0 0 0.000100 C 0.9101090 -0.8903940 -0.7272760 C 0.3801040 -0.4863040 0.5539720 C 1.1909220 0.2785510 1.4169150 C 2.5243210 0.5760550 1.0665670 C 3.0690810 0.0197850 -0.1479290 N 2.2106920 -0.6348100 -0.9512580 H 0.7849610 0.6425300 2.3620390 H 0.2568770 -1.2087840 -1.5397070 H -0.6913540 -0.6127340 0.7096950 H 3.2272070 1.0318140 1.7641490 H 4.1442660 -0.0322130 -0.3197710 H 1.0953420 1.6559690 -2.5604750 H 0.5645190 2.0785070 -2.8701370 H 2.6576110 -1.0315600 -1.9969510 H 3.0322960 -1.3630310 -2.8488430 timestep 721 15 0 0 0.000100 C 0.9117930 -0.8896080 -0.7290180 C 0.3799860 -0.4848270 0.5510630 C 1.1896020 0.2827280 1.4126870 C 2.5244410 0.5776150 1.0650280 C 3.0714930 0.0175800 -0.1481420 N 2.2138180 -0.6366540 -0.9501180 H 0.7811670 0.6519890 2.3547380 H 0.2594830 -1.2033610 -1.5440200 H -0.6914750 -0.6117100 0.7062460 H 3.2276490 1.0307130 1.7641740 H 4.1471520 -0.0368590 -0.3168010 H 1.0931420 1.6471380 -2.5424310 H 0.5633350 2.0651160 -2.8599550 H 2.6596400 -1.0313260 -1.9986900 H 3.0257260 -1.3551500 -2.8537720 timestep 741 15 0 0 0.000100 C 0.9118940 -0.8892970 -0.7292360 C 0.3799530 -0.4846710 0.5507800 C 1.1894940 0.2830430 1.4123490 C 2.5244770 0.5777130 1.0649500 C 3.0717510 0.0174600 -0.1481600 N 2.2141160 -0.6367260 -0.9499770 H 0.7808270 0.6527280 2.3541360 H 0.2596900 -1.2026000 -1.5445000 H -0.6914860 -0.6116260 0.7060090 H 3.2277110 1.0305300 1.7642650 H 4.1474530 -0.0372150 -0.3165480 H 1.0929700 1.6460610 -2.5406320 H 0.5633760 2.0634250 -2.8593240 H 2.6598350 -1.0312430 -1.9989130 H 3.0248910 -1.3542000 -2.8542110 timestep 761 15 0 0 0.000100 C 0.9079320 -0.8872450 -0.7299280 C 0.3792150 -0.4878870 0.5520090 C 1.1900820 0.2792900 1.4140640 C 2.5234350 0.5789150 1.0639820 C 3.0692930 0.0219910 -0.1513360 N 2.2103710 -0.6331580 -0.9506780 H 0.7825970 0.6450030 2.3578480 H 0.2556620 -1.2036040 -1.5439700 H -0.6912860 -0.6165810 0.7118690 H 3.2263840 1.0350540 1.7613020 H 4.1447140 -0.0307800 -0.3232990 H 1.1022700 1.6438730 -2.5445260 H 0.5745050 2.0661530 -2.8595800 H 2.6560460 -1.0298110 -2.0003650 H 3.0257330 -1.3578290 -2.8464010 timestep 781 15 0 0 0.000100 C 0.9085080 -0.8855290 -0.7306530 C 0.3791200 -0.4867460 0.5510390 C 1.1897620 0.2804030 1.4132300 C 2.5237520 0.5788020 1.0642540 C 3.0703750 0.0214910 -0.1509510 N 2.2116770 -0.6333690 -0.9500220 H 0.7816040 0.6473280 2.3562650 H 0.2565890 -1.2000730 -1.5457020 H -0.6913450 -0.6156090 0.7108020 H 3.2268770 1.0333560 1.7624940 H 4.1459550 -0.0324330 -0.3216760 H 1.1002690 1.6396880 -2.5396400 H 0.5732860 2.0599380 -2.8587640 H 2.6577110 -1.0298930 -2.0011120 H 3.0228110 -1.3539710 -2.8485760 timestep 801 15 0 0 0.000100 C 0.9082980 -0.8798710 -0.7321420 C 0.3785460 -0.4838090 0.5496380 C 1.1897180 0.2806040 1.4134640 C 2.5247140 0.5770740 1.0660960 C 3.0719960 0.0227290 -0.1506130 N 2.2127790 -0.6313880 -0.9487190 H 0.7813250 0.6474170 2.3564630 H 0.2571540 -1.1921520 -1.5487440 H -0.6918170 -0.6125850 0.7095700 H 3.2285060 1.0278240 1.7662690 H 4.1476600 -0.0330180 -0.3203210 H 1.0958090 1.6297930 -2.5358720 H 0.5714670 2.0484500 -2.8616230 H 2.6623020 -1.0304590 -2.0025680 H 3.0184960 -1.3472260 -2.8499090 timestep 821 15 0 0 0.000100 C 0.9082980 -0.8798710 -0.7321420 C 0.3785460 -0.4838090 0.5496380 C 1.1897180 0.2806040 1.4134640 C 2.5247140 0.5770740 1.0660960 C 3.0719960 0.0227290 -0.1506130 N 2.2127790 -0.6313880 -0.9487190 H 0.7813250 0.6474170 2.3564630 H 0.2571540 -1.1921520 -1.5487440 H -0.6918170 -0.6125850 0.7095700 H 3.2285060 1.0278240 1.7662690 H 4.1476600 -0.0330180 -0.3203210 H 1.0958090 1.6297930 -2.5358720 H 0.5714670 2.0484500 -2.8616230 H 2.6623020 -1.0304590 -2.0025680 H 3.0184960 -1.3472260 -2.8499090 timestep 841 15 0 0 0.000100 C 0.9082980 -0.8798710 -0.7321420 C 0.3785460 -0.4838090 0.5496380 C 1.1897180 0.2806040 1.4134640 C 2.5247140 0.5770740 1.0660960 C 3.0719960 0.0227290 -0.1506130 N 2.2127790 -0.6313880 -0.9487190 H 0.7813250 0.6474170 2.3564630 H 0.2571540 -1.1921520 -1.5487440 H -0.6918170 -0.6125850 0.7095700 H 3.2285060 1.0278240 1.7662690 H 4.1476600 -0.0330180 -0.3203210 H 1.0958090 1.6297930 -2.5358720 H 0.5714670 2.0484500 -2.8616230 H 2.6623020 -1.0304590 -2.0025680 H 3.0184960 -1.3472260 -2.8499090