pyridine4Hp1.log 0 0 15 timestep 1 15 0 0 0.000100 C 0.3079430 0.0542520 -0.4290170 C 0.1119960 0.0717160 0.9736340 C 1.2348500 0.0016800 1.8240960 C 2.5410900 -0.0684290 1.2976720 C 2.7200210 -0.0519080 -0.1078480 N 1.5849640 0.0011540 -0.8009460 H 1.0912980 0.0018540 2.9008720 H -0.4844100 0.0452320 -1.1703860 H -0.9050570 0.1085190 1.3507640 H 3.4240780 -0.1047530 1.9277670 H 3.6804400 -0.0406010 -0.6144870 H 0.7234380 0.0496190 -3.6830050 H 0.0439640 -0.2381840 -3.7845750 H 4.3521780 -0.1007040 -3.0142990 H 4.9301590 0.2939360 -2.7592530 timestep 21 15 0 0 0.000100 C 0.3085690 0.0536040 -0.4276240 C 0.1101320 0.0643340 0.9758900 C 1.2346690 -0.0001090 1.8250130 C 2.5418390 -0.0618330 1.2988580 C 2.7170570 -0.0486650 -0.1080800 N 1.5837280 0.0005710 -0.8013800 H 1.0917360 -0.0008260 2.9019370 H -0.4831720 0.0596610 -1.1701390 H -0.9065030 0.1015920 1.3540820 H 3.4247410 -0.0974420 1.9291100 H 3.6762700 -0.0461460 -0.6177970 H 0.7277260 0.0523380 -3.6834540 H 0.0507660 -0.2411350 -3.7865410 H 4.3512370 -0.1048920 -3.0162740 H 4.9281590 0.2923310 -2.7626130 timestep 41 15 0 0 0.000100 C 0.3058980 0.0538190 -0.4250250 C 0.1075140 0.0532540 0.9784950 C 1.2349270 -0.0019970 1.8247640 C 2.5427480 -0.0512590 1.2982410 C 2.7136890 -0.0417670 -0.1090310 N 1.5798570 0.0025320 -0.7999310 H 1.0935810 -0.0052920 2.9020810 H -0.4857220 0.0829650 -1.1676440 H -0.9083740 0.0892040 1.3582880 H 3.4261500 -0.0875970 1.9274210 H 3.6711480 -0.0584780 -0.6226870 H 0.7315310 0.0590010 -3.6826040 H 0.0619620 -0.2502680 -3.7883550 H 4.3539280 -0.1116910 -3.0172250 H 4.9281160 0.2909580 -2.7657980 timestep 61 15 0 0 0.000100 C 0.3027800 0.0544080 -0.4233300 C 0.1065350 0.0481550 0.9805530 C 1.2350010 -0.0029220 1.8255650 C 2.5422130 -0.0462900 1.2970800 C 2.7117510 -0.0389450 -0.1104440 N 1.5765990 0.0053990 -0.7995420 H 1.0950250 -0.0070330 2.9030550 H -0.4892160 0.0931490 -1.1649880 H -0.9087860 0.0837230 1.3618980 H 3.4262590 -0.0835710 1.9252800 H 3.6679630 -0.0659430 -0.6258110 H 0.7337700 0.0651250 -3.6821290 H 0.0710150 -0.2577760 -3.7899430 H 4.3571410 -0.1154970 -3.0181650 H 4.9289030 0.2914020 -2.7680890 timestep 81 15 0 0 0.000100 C 0.2985430 0.0557560 -0.4210720 C 0.1054280 0.0458010 0.9830580 C 1.2352300 -0.0028920 1.8263050 C 2.5413620 -0.0434630 1.2951170 C 2.7091360 -0.0371620 -0.1124880 N 1.5722270 0.0096970 -0.7993520 H 1.0971380 -0.0087550 2.9039600 H -0.4944820 0.1005260 -1.1611380 H -0.9092790 0.0807020 1.3662570 H 3.4265410 -0.0830020 1.9216870 H 3.6640530 -0.0729630 -0.6294570 H 0.7364720 0.0724070 -3.6810170 H 0.0833410 -0.2687190 -3.7913460 H 4.3613070 -0.1182350 -3.0192390 H 4.9299360 0.2936860 -2.7702860 timestep 101 15 0 0 0.000100 C 0.2934430 0.0577270 -0.4183890 C 0.1041890 0.0457610 0.9860520 C 1.2355720 -0.0029900 1.8270580 C 2.5402280 -0.0430040 1.2924740 C 2.7056170 -0.0370540 -0.1152770 N 1.5667830 0.0143740 -0.7995330 H 1.0998910 -0.0099340 2.9049560 H -0.5012230 0.1051350 -1.1563800 H -0.9097150 0.0805570 1.3715010 H 3.4268830 -0.0847170 1.9168980 H 3.6592420 -0.0785160 -0.6339520 H 0.7399230 0.0810780 -3.6790400 H 0.0994430 -0.2822970 -3.7924300 H 4.3659780 -0.1202580 -3.0204950 H 4.9306980 0.2975220 -2.7724540 timestep 121 15 0 0 0.000100 C 0.2853420 0.0613670 -0.4141170 C 0.1021000 0.0480170 0.9908500 C 1.2362300 -0.0027080 1.8279290 C 2.5384800 -0.0445130 1.2879470 C 2.6994270 -0.0378960 -0.1201530 N 1.5577950 0.0208070 -0.8001470 H 1.1045330 -0.0117340 2.9062430 H -0.5122070 0.1100600 -1.1487630 H -0.9104340 0.0828460 1.3800140 H 3.4275240 -0.0900170 1.9087950 H 3.6510890 -0.0845060 -0.6417400 H 0.7456840 0.0942900 -3.6748010 H 0.1275750 -0.3045470 -3.7931490 H 4.3727040 -0.1224340 -3.0224400 H 4.9311120 0.3043510 -2.7754790 timestep 141 15 0 0 0.000100 C 0.2732240 0.0669080 -0.4077820 C 0.0988090 0.0525070 0.9980030 C 1.2372840 -0.0028890 1.8287930 C 2.5359330 -0.0483000 1.2807890 C 2.6895540 -0.0399870 -0.1279530 N 1.5439820 0.0284610 -0.8013570 H 1.1117420 -0.0140980 2.9077640 H -0.5287580 0.1160580 -1.1374290 H -0.9115080 0.0882450 1.3929210 H 3.4285550 -0.0985960 1.8961920 H 3.6382970 -0.0905460 -0.6542660 H 0.7543150 0.1129440 -3.6669350 H 0.1734880 -0.3365020 -3.7927890 H 4.3816140 -0.1253570 -3.0252090 H 4.9304220 0.3145340 -2.7797530 timestep 161 15 0 0 0.000100 C 0.2525950 0.0757180 -0.3969920 C 0.0929230 0.0598760 1.0101610 C 1.2391420 -0.0031530 1.8296740 C 2.5316600 -0.0547000 1.2681550 C 2.6719400 -0.0433210 -0.1417820 N 1.5199780 0.0386740 -0.8036340 H 1.1242870 -0.0178830 2.9097410 H -0.5568620 0.1258310 -1.1181810 H -0.9133800 0.0973290 1.4151370 H 3.4302720 -0.1122930 1.8742010 H 3.6154920 -0.0984370 -0.6767710 H 0.7682050 0.1413810 -3.6515190 H 0.2591080 -0.3849730 -3.7898280 H 4.3946260 -0.1309920 -3.0298700 H 4.9269680 0.3303280 -2.7875020 timestep 181 15 0 0 0.000100 C 0.2185120 0.0875310 -0.3792750 C 0.0830150 0.0701690 1.0299290 C 1.2421630 -0.0036220 1.8302200 C 2.5243830 -0.0636660 1.2465750 C 2.6418580 -0.0485900 -0.1652560 N 1.4797100 0.0505560 -0.8076310 H 1.1452370 -0.0221010 2.9119370 H -0.6030540 0.1390170 -1.0864790 H -0.9162560 0.1106580 1.4517400 H 3.4326770 -0.1304590 1.8370960 H 3.5764850 -0.1090210 -0.7150910 H 0.7884370 0.1796380 -3.6233970 H 0.4146600 -0.4460740 -3.7797490 H 4.4121440 -0.1426750 -3.0374780 H 4.9169830 0.3520210 -2.8021500 timestep 201 15 0 0 0.000100 C 0.1641390 0.0988780 -0.3515090 C 0.0670320 0.0818280 1.0602810 C 1.2468670 -0.0020660 1.8290160 C 2.5120940 -0.0728830 1.2105200 C 2.5919760 -0.0564600 -0.2038650 N 1.4140720 0.0593130 -0.8146660 H 1.1790180 -0.0229350 2.9128690 H -0.6762050 0.1504880 -1.0362920 H -0.9202650 0.1257690 1.5090940 H 3.4353990 -0.1487730 1.7761450 H 3.5115460 -0.1235190 -0.7778960 H 0.8163770 0.2197600 -3.5746880 H 0.6882770 -0.4940470 -3.7489170 H 4.4333960 -0.1678140 -3.0490870 H 4.8932300 0.3758440 -2.8300170 timestep 221 15 0 0 0.000100 C 0.1070970 0.1000730 -0.3239100 C 0.0502070 0.0872790 1.0897010 C 1.2519170 0.0023200 1.8241050 C 2.4985910 -0.0753920 1.1695270 C 2.5371910 -0.0643400 -0.2467610 N 1.3430310 0.0543870 -0.8241380 H 1.2154940 -0.0147710 2.9095440 H -0.7523580 0.1496890 -0.9848490 H -0.9234130 0.1339860 1.5670960 H 3.4373210 -0.1529260 1.7088380 H 3.4397710 -0.1378370 -0.8466500 H 0.8457500 0.2353040 -3.5187430 H 0.9924840 -0.4758060 -3.6918680 H 4.4516850 -0.2042910 -3.0584720 H 4.8621840 0.3857060 -2.8624310 timestep 241 15 0 0 0.000100 C 0.0544200 0.0908240 -0.3012730 C 0.0347370 0.0834720 1.1134710 C 1.2577090 0.0081240 1.8136000 C 2.4865570 -0.0695760 1.1256120 C 2.4833050 -0.0692150 -0.2915970 N 1.2742120 0.0324590 -0.8376340 H 1.2521190 0.0008190 2.8998480 H -0.8223250 0.1416840 -0.9394670 H -0.9245490 0.1333500 1.6184380 H 3.4395240 -0.1403270 1.6400290 H 3.3683160 -0.1490650 -0.9167960 H 0.8821900 0.2261200 -3.4570060 H 1.2701160 -0.3941230 -3.6096660 H 4.4678180 -0.2486340 -3.0596770 H 4.8328030 0.3774710 -2.8868940 timestep 261 15 0 0 0.000100 C 0.0516450 0.0907410 -0.3021610 C 0.0346710 0.0803070 1.1133150 C 1.2604460 0.0036440 1.8084380 C 2.4876700 -0.0695480 1.1171710 C 2.4767550 -0.0651180 -0.3001570 N 1.2666150 0.0220880 -0.8433770 H 1.2587780 -0.0020590 2.8948510 H -0.8268690 0.1524870 -0.9374270 H -0.9221260 0.1359240 1.6220840 H 3.4421980 -0.1372450 1.6287870 H 3.3593580 -0.1395390 -0.9298100 H 0.8948040 0.2241510 -3.4420400 H 1.2753190 -0.4000670 -3.5985150 H 4.4634460 -0.2460280 -3.0518640 H 4.8342440 0.3736460 -2.8683050 timestep 281 15 0 0 0.000100 C 0.0568010 0.0922470 -0.3079570 C 0.0382360 0.0831650 1.1081280 C 1.2627510 -0.0003550 1.8041560 C 2.4905070 -0.0746960 1.1139810 C 2.4801420 -0.0656550 -0.3031810 N 1.2703980 0.0160840 -0.8478140 H 1.2598220 -0.0073150 2.8905910 H -0.8219580 0.1582800 -0.9425960 H -0.9186260 0.1446990 1.6160760 H 3.4447970 -0.1411020 1.6261160 H 3.3642690 -0.1248600 -0.9325260 H 0.9007560 0.2266620 -3.4341820 H 1.2239030 -0.4270190 -3.5992190 H 4.4599130 -0.2305900 -3.0420660 H 4.8452430 0.3738380 -2.8385190 timestep 301 15 0 0 0.000100 C 0.0538640 0.0913780 -0.3113670 C 0.0400780 0.0867430 1.1051590 C 1.2660010 -0.0016000 1.7975600 C 2.4913500 -0.0792200 1.1032960 C 2.4771390 -0.0683030 -0.3135260 N 1.2649950 0.0088260 -0.8546050 H 1.2662960 -0.0076010 2.8839710 H -0.8281530 0.1550280 -0.9416360 H -0.9151450 0.1521730 1.6157600 H 3.4475060 -0.1432700 1.6123030 H 3.3601530 -0.1124300 -0.9456110 H 0.9125650 0.2311660 -3.4156820 H 1.1984770 -0.4388470 -3.5844730 H 4.4640450 -0.2214690 -3.0312760 H 4.8577830 0.3708100 -2.8088840 timestep 321 15 0 0 0.000100 C 0.0528710 0.0906960 -0.3150110 C 0.0420500 0.0885290 1.1016110 C 1.2686670 -0.0018800 1.7922460 C 2.4926990 -0.0811270 1.0956350 C 2.4770810 -0.0693380 -0.3209060 N 1.2631920 0.0046780 -0.8599880 H 1.2708150 -0.0071680 2.8786090 H -0.8311120 0.1493730 -0.9428010 H -0.9125120 0.1541830 1.6134830 H 3.4498680 -0.1427640 1.6031350 H 3.3593370 -0.1021560 -0.9545560 H 0.9238490 0.2396150 -3.4020930 H 1.1532900 -0.4506120 -3.5761880 H 4.4716020 -0.2133460 -3.0217390 H 4.8752550 0.3647000 -2.7804450 timestep 341 15 0 0 0.000100 C 0.0372950 0.0861340 -0.3139940 C 0.0411960 0.0893790 1.1024970 C 1.2738400 -0.0001580 1.7820830 C 2.4907790 -0.0809130 1.0734480 C 2.4629080 -0.0710110 -0.3425460 N 1.2428470 -0.0015160 -0.8705260 H 1.2864970 -0.0024850 2.8683080 H -0.8536960 0.1376390 -0.9321320 H -0.9085860 0.1556240 1.6232110 H 3.4529270 -0.1387360 1.5720350 H 3.3394460 -0.0955210 -0.9842450 H 0.9479610 0.2510130 -3.3697950 H 1.1503760 -0.4481120 -3.5432750 H 4.4943680 -0.2131580 -3.0081160 H 4.8987940 0.3552040 -2.7459640 timestep 361 15 0 0 0.000100 C 0.0322130 0.0820910 -0.3161230 C 0.0425620 0.0871640 1.1000800 C 1.2780380 0.0017020 1.7750040 C 2.4921540 -0.0773290 1.0610800 C 2.4594710 -0.0696790 -0.3545740 N 1.2363080 -0.0050410 -0.8777630 H 1.2952640 0.0009190 2.8611010 H -0.8617930 0.1263440 -0.9301750 H -0.9054420 0.1499780 1.6245330 H 3.4565000 -0.1306140 1.5560250 H 3.3332920 -0.0870840 -0.9999530 H 0.9686800 0.2651700 -3.3534880 H 1.0779410 -0.4527210 -3.5352700 H 4.5185830 -0.2076910 -2.9940210 H 4.9331830 0.3401760 -2.7054670 timestep 381 15 0 0 0.000100 C 0.0019800 0.0717880 -0.3086770 C 0.0389840 0.0834510 1.1064530 C 1.2864740 0.0069150 1.7599840 C 2.4873610 -0.0702120 1.0241580 C 2.4303910 -0.0696370 -0.3903860 N 1.1970910 -0.0104980 -0.8927160 H 1.3234050 0.0114330 2.8454990 H -0.9035210 0.1072010 -0.9059060 H -0.8996420 0.1437480 1.6478690 H 3.4605520 -0.1176920 1.5022070 H 3.2929490 -0.0886220 -1.0505030 H 1.0086070 0.2853050 -3.3092910 H 1.0839360 -0.4377400 -3.4903130 H 4.5710350 -0.2153010 -2.9719800 H 4.9773520 0.3232440 -2.6554100 timestep 401 15 0 0 0.000100 C 0.0061230 0.0667310 -0.3104720 C 0.0413270 0.0788460 1.1044550 C 1.2885930 0.0093000 1.7595180 C 2.4907570 -0.0638680 1.0251670 C 2.4354000 -0.0667740 -0.3894580 N 1.2025210 -0.0123600 -0.8932360 H 1.3242950 0.0154600 2.8450610 H -0.8983390 0.0966820 -0.9095100 H -0.8982540 0.1340030 1.6447700 H 3.4635250 -0.1066100 1.5045330 H 3.2983680 -0.0840860 -1.0490000 H 1.0187430 0.2912040 -3.3194360 H 0.9806990 -0.4318630 -3.5124030 H 4.5927410 -0.2102900 -2.9627510 H 5.0104520 0.3070050 -2.6262480 timestep 421 15 0 0 0.000100 C -0.0118910 0.0569600 -0.3009290 C 0.0388010 0.0725970 1.1130370 C 1.2941450 0.0148060 1.7542400 C 2.4883860 -0.0542300 1.0068190 C 2.4164460 -0.0653750 -0.4071260 N 1.1785240 -0.0153500 -0.8977110 H 1.3419940 0.0253810 2.8392980 H -0.9224830 0.0820490 -0.8909180 H -0.8948010 0.1229440 1.6640400 H 3.4665660 -0.0916710 1.4754240 H 3.2720090 -0.0906490 -1.0761160 H 1.0424920 0.3034840 -3.3175430 H 0.9457050 -0.4134310 -3.5138330 H 4.6449190 -0.2167560 -2.9468510 H 5.0561410 0.2926220 -2.5908420 timestep 441 15 0 0 0.000100 C -0.0181980 0.0521660 -0.2916100 C 0.0371180 0.0686820 1.1222090 C 1.2958820 0.0171500 1.7579070 C 2.4877030 -0.0486290 1.0064140 C 2.4084610 -0.0632710 -0.4075750 N 1.1697150 -0.0148930 -0.8928810 H 1.3479400 0.0295150 2.8428390 H -0.9301830 0.0780350 -0.8798130 H -0.8941960 0.1165440 1.6771820 H 3.4677990 -0.0843930 1.4709600 H 3.2612090 -0.0974060 -1.0801560 H 1.0460590 0.3055100 -3.3488380 H 0.9090120 -0.4048100 -3.5441170 H 4.6809660 -0.2199470 -2.9415640 H 5.0876660 0.2891300 -2.5799690 timestep 461 15 0 0 0.000100 C -0.0299100 0.0501230 -0.2810160 C 0.0344860 0.0673600 1.1327190 C 1.2979910 0.0183940 1.7592810 C 2.4848970 -0.0468690 1.0001050 C 2.3949080 -0.0632740 -0.4135560 N 1.1535050 -0.0141900 -0.8897140 H 1.3573600 0.0312380 2.8439000 H -0.9455640 0.0799720 -0.8636350 H -0.8928180 0.1162760 1.6941970 H 3.4681500 -0.0834860 1.4577290 H 3.2431750 -0.1049970 -1.0917060 H 1.0479450 0.3087070 -3.3688740 H 0.9261880 -0.4057990 -3.5576040 H 4.7105970 -0.2240700 -2.9360980 H 5.1060440 0.2939980 -2.5747370 timestep 481 15 0 0 0.000100 C -0.0388540 0.0510710 -0.2731470 C 0.0325060 0.0684140 1.1406620 C 1.2991740 0.0180580 1.7604990 C 2.4822680 -0.0480090 0.9954310 C 2.3847840 -0.0640260 -0.4178890 N 1.1410840 -0.0127480 -0.8871690 H 1.3640210 0.0304530 2.8448380 H -0.9575690 0.0849200 -0.8508700 H -0.8918490 0.1193590 1.7067700 H 3.4677710 -0.0870150 1.4479570 H 3.2296340 -0.1108030 -1.1000280 H 1.0447370 0.3105070 -3.3831420 H 0.9655660 -0.4120990 -3.5626880 H 4.7247430 -0.2274450 -2.9330610 H 5.1089370 0.3027470 -2.5771740 timestep 501 15 0 0 0.000100 C -0.0421260 0.0518890 -0.2706190 C 0.0323530 0.0693200 1.1432880 C 1.3001720 0.0179520 1.7602860 C 2.4814890 -0.0493270 0.9925780 C 2.3811290 -0.0645250 -0.4204930 N 1.1362090 -0.0121280 -0.8869370 H 1.3674390 0.0300330 2.8444820 H -0.9624400 0.0871540 -0.8457330 H -0.8908110 0.1215370 1.7112220 H 3.4679290 -0.0896750 1.4429610 H 3.2245710 -0.1128380 -1.1042440 H 1.0416270 0.3107810 -3.3882170 H 0.9866690 -0.4152750 -3.5624540 H 4.7268050 -0.2283210 -2.9295290 H 5.1059370 0.3068090 -2.5756020 timestep 521 15 0 0 0.000100 C -0.0451160 0.0525760 -0.2684760 C 0.0329810 0.0701800 1.1455090 C 1.3021250 0.0177710 1.7592220 C 2.4814220 -0.0502420 0.9883830 C 2.3777690 -0.0651130 -0.4243210 N 1.1313790 -0.0118290 -0.8875260 H 1.3722590 0.0297990 2.8432350 H -0.9673570 0.0887760 -0.8404540 H -0.8888740 0.1234070 1.7154780 H 3.4689710 -0.0915470 1.4362800 H 3.2195370 -0.1145890 -1.1099980 H 1.0377290 0.3109390 -3.3943890 H 1.0030240 -0.4176830 -3.5626470 H 4.7285340 -0.2287090 -2.9218870 H 5.1025700 0.3096460 -2.5674190 timestep 541 15 0 0 0.000100 C -0.0480240 0.0530860 -0.2666790 C 0.0346840 0.0710570 1.1473140 C 1.3055330 0.0180040 1.7569300 C 2.4822540 -0.0511210 0.9821270 C 2.3744650 -0.0658170 -0.4300960 N 1.1262360 -0.0119170 -0.8892750 H 1.3793050 0.0300640 2.8406960 H -0.9726600 0.0895490 -0.8347540 H -0.8855320 0.1251140 1.7198550 H 3.4711970 -0.0931400 1.4269180 H 3.2140670 -0.1159960 -1.1182900 H 1.0324750 0.3110860 -3.4023030 H 1.0136190 -0.4196630 -3.5633590 H 4.7303540 -0.2280800 -2.9084400 H 5.0989790 0.3111570 -2.5496550 timestep 561 15 0 0 0.000100 C -0.0501650 0.0532690 -0.2655580 C 0.0373310 0.0717290 1.1482970 C 1.3100030 0.0182950 1.7537150 C 2.4840800 -0.0514950 0.9748500 C 2.3719380 -0.0664760 -0.4368820 N 1.1219040 -0.0124050 -0.8919290 H 1.3875270 0.0307520 2.8372040 H -0.9771220 0.0891790 -0.8298480 H -0.8811660 0.1261710 1.7235670 H 3.4744780 -0.0935910 1.4164310 H 3.2092570 -0.1166720 -1.1277710 H 1.0265810 0.3112780 -3.4115500 H 1.0116240 -0.4210260 -3.5655560 H 4.7333740 -0.2261530 -2.8906460 H 5.0973100 0.3105300 -2.5233340 timestep 581 15 0 0 0.000100 C -0.0515490 0.0529980 -0.2651210 C 0.0402620 0.0719650 1.1484150 C 1.3147070 0.0189220 1.7500900 C 2.4864120 -0.0512520 0.9676450 C 2.3701870 -0.0669900 -0.4436940 N 1.1187070 -0.0132790 -0.8950490 H 1.3955510 0.0318920 2.8333240 H -0.9803300 0.0876490 -0.8264520 H -0.8766090 0.1261640 1.7263080 H 3.4781340 -0.0928180 1.4063150 H 3.2054140 -0.1165710 -1.1371010 H 1.0211820 0.3117260 -3.4200830 H 0.9967810 -0.4215140 -3.5683020 H 4.7388320 -0.2232750 -2.8720450 H 5.0992720 0.3077660 -2.4932610 timestep 601 15 0 0 0.000100 C -0.0527790 0.0525520 -0.2646990 C 0.0425820 0.0719210 1.1483990 C 1.3186350 0.0194690 1.7469900 C 2.4883970 -0.0506890 0.9616810 C 2.3685540 -0.0674110 -0.4494170 N 1.1161140 -0.0141840 -0.8977030 H 1.4021480 0.0330510 2.8300140 H -0.9827490 0.0859660 -0.8241170 H -0.8728230 0.1256460 1.7286680 H 3.4812410 -0.0914520 1.3978830 H 3.2020380 -0.1162990 -1.1449610 H 1.0161110 0.3122060 -3.4275240 H 0.9771110 -0.4215760 -3.5707940 H 4.7474570 -0.2204620 -2.8566830 H 5.1049170 0.3046460 -2.4667480 timestep 621 15 0 0 0.000100 C -0.0529020 0.0525880 -0.2647430 C 0.0426360 0.0720240 1.1483290 C 1.3188380 0.0194660 1.7468000 C 2.4886400 -0.0507670 0.9614360 C 2.3686870 -0.0676860 -0.4496500 N 1.1161510 -0.0145180 -0.8975680 H 1.4024300 0.0331530 2.8298160 H -0.9828520 0.0859530 -0.8241960 H -0.8726900 0.1258300 1.7287160 H 3.4815070 -0.0914360 1.3975950 H 3.2019370 -0.1163490 -1.1454900 H 1.0161210 0.3121620 -3.4279740 H 0.9757390 -0.4216470 -3.5708080 H 4.7477010 -0.2199480 -2.8560880 H 5.1050110 0.3045570 -2.4651860 timestep 641 15 0 0 0.000100 C -0.0523980 0.0526490 -0.2647980 C 0.0425870 0.0719090 1.1482200 C 1.3185620 0.0194210 1.7471130 C 2.4884790 -0.0507360 0.9621540 C 2.3687910 -0.0673840 -0.4490480 N 1.1166510 -0.0141520 -0.8976660 H 1.4017540 0.0329200 2.8301630 H -0.9820100 0.0861550 -0.8248110 H -0.8728640 0.1255790 1.7284120 H 3.4812380 -0.0915020 1.3985220 H 3.2025030 -0.1160940 -1.1443640 H 1.0139540 0.3116950 -3.4288720 H 0.9709700 -0.4218720 -3.5713100 H 4.7507150 -0.2197050 -2.8569010 H 5.1080210 0.3045000 -2.4658260 timestep 661 15 0 0 0.000100 C -0.0501740 0.0539640 -0.2656660 C 0.0418710 0.0713370 1.1469150 C 1.3171960 0.0182810 1.7482190 C 2.4885950 -0.0507410 0.9660480 C 2.3704760 -0.0659760 -0.4458910 N 1.1203880 -0.0119860 -0.8968060 H 1.3977930 0.0304330 2.8314990 H -0.9772010 0.0896820 -0.8298920 H -0.8740750 0.1246200 1.7263240 H 3.4806330 -0.0922610 1.4038240 H 3.2056840 -0.1147800 -1.1396900 H 0.9945510 0.3080410 -3.4374120 H 0.9357130 -0.4257090 -3.5702640 H 4.7754890 -0.2163220 -2.8616230 H 5.1300140 0.3047990 -2.4645970 timestep 681 15 0 0 0.000100 C -0.0483710 0.0553560 -0.2672470 C 0.0420310 0.0713210 1.1453020 C 1.3167690 0.0175290 1.7480720 C 2.4890270 -0.0510690 0.9673380 C 2.3722890 -0.0651680 -0.4449270 N 1.1230270 -0.0103410 -0.8972260 H 1.3959590 0.0285740 2.8314730 H -0.9742300 0.0921250 -0.8332880 H -0.8743680 0.1242190 1.7240280 H 3.4805520 -0.0933050 1.4061690 H 3.2082940 -0.1139710 -1.1378420 H 0.9813610 0.3061070 -3.4405960 H 0.9199080 -0.4288230 -3.5659280 H 4.7862000 -0.2143740 -2.8627090 H 5.1385040 0.3052040 -2.4616290 timestep 701 15 0 0 0.000100 C -0.0434010 0.0594720 -0.2723580 C 0.0427920 0.0714710 1.1402670 C 1.3158910 0.0151570 1.7467240 C 2.4904610 -0.0522900 0.9695230 C 2.3776670 -0.0630390 -0.4433130 N 1.1301130 -0.0056170 -0.8990800 H 1.3916620 0.0233320 2.8303960 H -0.9667450 0.0990450 -0.8422440 H -0.8749980 0.1236840 1.7168560 H 3.4806260 -0.0966310 1.4111820 H 3.2155980 -0.1119430 -1.1339950 H 0.9445660 0.3011900 -3.4466840 H 0.8852040 -0.4375780 -3.5496630 H 4.8112380 -0.2095790 -2.8641590 H 5.1562770 0.3067090 -2.4524630 timestep 721 15 0 0 0.000100 C -0.0412380 0.0613380 -0.2749250 C 0.0433670 0.0717310 1.1378710 C 1.3157410 0.0141790 1.7457410 C 2.4912100 -0.0530000 0.9697950 C 2.3801330 -0.0622920 -0.4431670 N 1.1330310 -0.0036650 -0.9002760 H 1.3902970 0.0211160 2.8295120 H -0.9638770 0.1019470 -0.8458380 H -0.8750630 0.1237520 1.7134710 H 3.4808130 -0.0983530 1.4126320 H 3.2187590 -0.1112570 -1.1329940 H 0.9282580 0.2993640 -3.4485010 H 0.8742320 -0.4413100 -3.5409760 H 4.8200410 -0.2077620 -2.8637720 H 5.1612490 0.3075940 -2.4475840 timestep 741 15 0 0 0.000100 C -0.0367940 0.0653410 -0.2808250 C 0.0450960 0.0726600 1.1325030 C 1.3159610 0.0121650 1.7427210 C 2.4930240 -0.0549080 0.9686800 C 2.3853980 -0.0611670 -0.4441820 N 1.1385730 0.0001470 -0.9035250 H 1.3886730 0.0167550 2.8266160 H -0.9589060 0.1076770 -0.8523810 H -0.8747150 0.1246610 1.7059080 H 3.4815700 -0.1024790 1.4137200 H 3.2250920 -0.1103320 -1.1325860 H 0.8935440 0.2961670 -3.4508110 H 0.8602980 -0.4486710 -3.5192560 H 4.8344690 -0.2046720 -2.8604720 H 5.1656690 0.3100400 -2.4351210 timestep 761 15 0 0 0.000100 C -0.0366640 0.0657710 -0.2815740 C 0.0456610 0.0731280 1.1320000 C 1.3164990 0.0120550 1.7417840 C 2.4933570 -0.0555030 0.9671590 C 2.3856650 -0.0615890 -0.4454270 N 1.1382830 0.0001290 -0.9043830 H 1.3897820 0.0166230 2.8256350 H -0.9595830 0.1080430 -0.8518290 H -0.8742210 0.1255440 1.7052510 H 3.4819710 -0.1034360 1.4120550 H 3.2250730 -0.1109280 -1.1340900 H 0.8891610 0.2965840 -3.4511970 H 0.8666580 -0.4491340 -3.5146290 H 4.8337810 -0.2051830 -2.8578560 H 5.1615310 0.3112780 -2.4319110 timestep 781 15 0 0 0.000100 C -0.0373670 0.0652950 -0.2815700 C 0.0459960 0.0734150 1.1321460 C 1.3171290 0.0123580 1.7409630 C 2.4934300 -0.0557860 0.9653090 C 2.3849270 -0.0623090 -0.4469920 N 1.1368950 -0.0007880 -0.9050860 H 1.3914190 0.0174380 2.8247380 H -0.9612710 0.1071370 -0.8502740 H -0.8736580 0.1263270 1.7057080 H 3.4823390 -0.1036370 1.4095860 H 3.2238140 -0.1117960 -1.1362260 H 0.8889000 0.2979700 -3.4515660 H 0.8723930 -0.4481550 -3.5114790 H 4.8338920 -0.2063420 -2.8551290 H 5.1581140 0.3122560 -2.4291400 timestep 801 15 0 0 0.000100 C -0.0391390 0.0638300 -0.2808810 C 0.0464120 0.0736850 1.1329400 C 1.3183020 0.0131860 1.7397720 C 2.4933840 -0.0559380 0.9621270 C 2.3828960 -0.0637740 -0.4497710 N 1.1338200 -0.0029950 -0.9060910 H 1.3945300 0.0195240 2.8234000 H -0.9646270 0.1047430 -0.8470920 H -0.8725810 0.1273630 1.7074760 H 3.4829610 -0.1032560 1.4049970 H 3.2207630 -0.1135150 -1.1401660 H 0.8906170 0.3010480 -3.4533550 H 0.8790550 -0.4455170 -3.5077850 H 4.8363720 -0.2087460 -2.8502700 H 5.1541880 0.3137450 -2.4243120 timestep 821 15 0 0 0.000100 C -0.0426720 0.0606800 -0.2789520 C 0.0468770 0.0738650 1.1348330 C 1.3203240 0.0148520 1.7380630 C 2.4931650 -0.0558160 0.9569800 C 2.3787690 -0.0663850 -0.4543530 N 1.1280980 -0.0073490 -0.9073820 H 1.3999050 0.0236690 2.8214280 H -0.9705340 0.0999260 -0.8414300 H -0.8707120 0.1287510 1.7114740 H 3.4840110 -0.1018410 1.3971540 H 3.2148000 -0.1165670 -1.1468880 H 0.8951160 0.3068430 -3.4582470 H 0.8849590 -0.4401840 -3.5035930 H 4.8442080 -0.2130930 -2.8419970 H 5.1506410 0.3160310 -2.4161010 timestep 841 15 0 0 0.000100 C -0.0487730 0.0548130 -0.2752580 C 0.0475030 0.0736250 1.1381870 C 1.3237280 0.0178080 1.7353680 C 2.4927150 -0.0550360 0.9487040 C 2.3714040 -0.0704490 -0.4618660 N 1.1184520 -0.0146930 -0.9093820 H 1.4087470 0.0308940 2.8182760 H -0.9800070 0.0913580 -0.8323890 H -0.8674850 0.1301700 1.7187560 H 3.4857440 -0.0985660 1.3841670 H 3.2044520 -0.1215830 -1.1579060 H 0.9001510 0.3170410 -3.4696080 H 0.8851300 -0.4305060 -3.4970900 H 4.8650360 -0.2209900 -2.8275280 H 5.1501570 0.3194970 -2.4014400 timestep 861 15 0 0 0.000100 C -0.0555980 0.0481670 -0.2709030 C 0.0481780 0.0734190 1.1417670 C 1.3278340 0.0210660 1.7323040 C 2.4927620 -0.0541790 0.9398960 C 2.3635500 -0.0760680 -0.4700420 N 1.1084000 -0.0245140 -0.9108860 H 1.4185270 0.0394020 2.8146820 H -0.9895960 0.0817570 -0.8236330 H -0.8635890 0.1318650 1.7271750 H 3.4881960 -0.0942410 1.3701080 H 3.1930550 -0.1271910 -1.1703570 H 0.9031070 0.3282470 -3.4865330 H 0.8724480 -0.4191030 -3.4907900 H 4.8954200 -0.2286020 -2.8098420 H 5.1542600 0.3233570 -2.3819590 timestep 881 15 0 0 0.000100 C -0.0605660 0.0425120 -0.2668230 C 0.0483370 0.0712840 1.1451630 C 1.3301190 0.0235560 1.7311030 C 2.4915960 -0.0515350 0.9345370 C 2.3566440 -0.0759650 -0.4751660 N 1.1004760 -0.0271920 -0.9124450 H 1.4246270 0.0443420 2.8131230 H -0.9962120 0.0744700 -0.8168620 H -0.8611070 0.1293270 1.7342280 H 3.4888330 -0.0897990 1.3606810 H 3.1844750 -0.1300060 -1.1773230 H 0.9017580 0.3370390 -3.5005260 H 0.8642590 -0.4100180 -3.4872820 H 4.9226570 -0.2397530 -2.7972570 H 5.1610580 0.3251210 -2.3741630 timestep 901 15 0 0 0.000100 C -0.0620360 0.0416450 -0.2662200 C 0.0488000 0.0718140 1.1452300 C 1.3319150 0.0240210 1.7296530 C 2.4929060 -0.0519080 0.9321750 C 2.3560020 -0.0794350 -0.4775590 N 1.0994160 -0.0318610 -0.9121300 H 1.4274310 0.0466490 2.8115520 H -0.9973300 0.0729810 -0.8168680 H -0.8595470 0.1306270 1.7359250 H 3.4906660 -0.0886740 1.3571920 H 3.1823270 -0.1318790 -1.1816490 H 0.8971890 0.3390830 -3.5097280 H 0.8482250 -0.4071120 -3.4842090 H 4.9367490 -0.2397540 -2.7894030 H 5.1642400 0.3271850 -2.3629720 timestep 921 15 0 0 0.000100 C -0.0600830 0.0439700 -0.2668850 C 0.0482820 0.0716150 1.1447410 C 1.3303040 0.0228980 1.7314200 C 2.4925570 -0.0518300 0.9358680 C 2.3582060 -0.0769950 -0.4742260 N 1.1024910 -0.0277940 -0.9111510 H 1.4238360 0.0435040 2.8135320 H -0.9941860 0.0766430 -0.8194460 H -0.8610560 0.1294880 1.7340240 H 3.4895650 -0.0899660 1.3625510 H 3.1858390 -0.1302210 -1.1767130 H 0.9008480 0.3352180 -3.5033920 H 0.8548040 -0.4116760 -3.4901490 H 4.9234250 -0.2380680 -2.7963760 H 5.1621210 0.3265970 -2.3728070 timestep 941 15 0 0 0.000100 C -0.0602670 0.0444020 -0.2665610 C 0.0483230 0.0709960 1.1449150 C 1.3304970 0.0226470 1.7315050 C 2.4926410 -0.0511360 0.9358470 C 2.3582350 -0.0758580 -0.4743590 N 1.1025230 -0.0261950 -0.9110780 H 1.4240010 0.0425870 2.8136300 H -0.9939960 0.0776280 -0.8196890 H -0.8608670 0.1281620 1.7345210 H 3.4897150 -0.0896270 1.3623680 H 3.1858010 -0.1304700 -1.1768100 H 0.9015390 0.3351350 -3.5041310 H 0.8571150 -0.4121060 -3.4906260 H 4.9225370 -0.2411470 -2.7935370 H 5.1591560 0.3283630 -2.3750040 timestep 961 15 0 0 0.000100 C -0.0604720 0.0448040 -0.2667890 C 0.0487820 0.0703530 1.1445510 C 1.3313060 0.0223840 1.7306390 C 2.4931700 -0.0504860 0.9344820 C 2.3583470 -0.0748310 -0.4757270 N 1.1023940 -0.0246080 -0.9117460 H 1.4251800 0.0417090 2.8127400 H -0.9941180 0.0784860 -0.8200020 H -0.8601300 0.1268210 1.7346730 H 3.4904190 -0.0893730 1.3605890 H 3.1855320 -0.1311560 -1.1784640 H 0.8990440 0.3354590 -3.5062300 H 0.8565730 -0.4119880 -3.4872090 H 4.9258180 -0.2458550 -2.7861750 H 5.1551070 0.3316640 -2.3743440 timestep 981 15 0 0 0.000100 C -0.0607140 0.0452230 -0.2669800 C 0.0491520 0.0701740 1.1443300 C 1.3319680 0.0221900 1.7298690 C 2.4935760 -0.0503300 0.9331830 C 2.3582780 -0.0746350 -0.4769410 N 1.1020410 -0.0238820 -0.9122890 H 1.4263170 0.0411910 2.8119330 H -0.9945850 0.0791890 -0.8197920 H -0.8595440 0.1263810 1.7348100 H 3.4909760 -0.0895230 1.3589240 H 3.1850520 -0.1319910 -1.1800480 H 0.8993980 0.3355330 -3.5066270 H 0.8576520 -0.4119480 -3.4849070 H 4.9268610 -0.2493130 -2.7798260 H 5.1505250 0.3351240 -2.3746500 timestep 1001 15 0 0 0.000100 C -0.0609860 0.0460840 -0.2673340 C 0.0497260 0.0702310 1.1439640 C 1.3329330 0.0218050 1.7287040 C 2.4941660 -0.0506280 0.9312670 C 2.3581270 -0.0746400 -0.4787220 N 1.1015260 -0.0228720 -0.9131380 H 1.4279850 0.0402950 2.8107140 H -0.9952620 0.0805820 -0.8194350 H -0.8586600 0.1263410 1.7349260 H 3.4917640 -0.0904980 1.3564920 H 3.1843090 -0.1333220 -1.1823810 H 0.8999230 0.3350070 -3.5072460 H 0.8572460 -0.4123250 -3.4816490 H 4.9299680 -0.2543230 -2.7692420 H 5.1441870 0.3416470 -2.3759320 timestep 1021 15 0 0 0.000100 C -0.0613640 0.0474340 -0.2676960 C 0.0503820 0.0707430 1.1436330 C 1.3340170 0.0212110 1.7273460 C 2.4947300 -0.0516580 0.9289560 C 2.3576760 -0.0752350 -0.4808420 N 1.1006640 -0.0219640 -0.9141700 H 1.4299930 0.0391210 2.8092850 H -0.9962760 0.0827710 -0.8186850 H -0.8576150 0.1271610 1.7351500 H 3.4925660 -0.0925690 1.3535230 H 3.1831530 -0.1351210 -1.1851940 H 0.9005150 0.3337320 -3.5080090 H 0.8561420 -0.4132890 -3.4778760 H 4.9354710 -0.2599910 -2.7554740 H 5.1368990 0.3510380 -2.3789580 timestep 1041 15 0 0 0.000100 C -0.0622540 0.0496030 -0.2679340 C 0.0513610 0.0719820 1.1434390 C 1.3357060 0.0202390 1.7252980 C 2.4953760 -0.0539900 0.9252100 C 2.3563850 -0.0767540 -0.4842620 N 1.0987140 -0.0210830 -0.9157700 H 1.4333440 0.0373900 2.8071020 H -0.9983310 0.0863470 -0.8168830 H -0.8558930 0.1293860 1.7359740 H 3.4936630 -0.0967090 1.3485290 H 3.1807120 -0.1380000 -1.1898070 H 0.9008630 0.3313750 -3.5104320 H 0.8527660 -0.4149050 -3.4721800 H 4.9480990 -0.2684030 -2.7319270 H 5.1264420 0.3669050 -2.3853700 timestep 1061 15 0 0 0.000100 C -0.0623970 0.0499070 -0.2679190 C 0.0514750 0.0721940 1.1434570 C 1.3359110 0.0200980 1.7250630 C 2.4954260 -0.0543750 0.9247450 C 2.3561600 -0.0770310 -0.4846860 N 1.0984100 -0.0210420 -0.9159560 H 1.4337740 0.0371680 2.8068490 H -0.9986280 0.0868600 -0.8165960 H -0.8556710 0.1297870 1.7361360 H 3.4937770 -0.0973390 1.3478860 H 3.1803400 -0.1383770 -1.1903910 H 0.9008210 0.3310070 -3.5108860 H 0.8521570 -0.4151580 -3.4715440 H 4.9501280 -0.2693890 -2.7287790 H 5.1252680 0.3690720 -2.3863900 timestep 1081 15 0 0 0.000100 C -0.0608140 0.0525860 -0.2689330 C 0.0513170 0.0752240 1.1427960 C 1.3347970 0.0190230 1.7257960 C 2.4951160 -0.0586410 0.9268230 C 2.3571700 -0.0803610 -0.4826450 N 1.1000770 -0.0228450 -0.9155060 H 1.4315950 0.0360580 2.8076840 H -0.9969510 0.0907040 -0.8177340 H -0.8564660 0.1354230 1.7341940 H 3.4928770 -0.1028350 1.3511650 H 3.1821270 -0.1382580 -1.1877890 H 0.9016030 0.3248730 -3.5060400 H 0.8437060 -0.4206130 -3.4758900 H 4.9495230 -0.2613430 -2.7332450 H 5.1312750 0.3743880 -2.3896880 timestep 1101 15 0 0 0.000100 C -0.0614730 0.0528980 -0.2686810 C 0.0516990 0.0757960 1.1429950 C 1.3355590 0.0190020 1.7250240 C 2.4952130 -0.0595060 0.9251670 C 2.3561350 -0.0810180 -0.4841920 N 1.0987910 -0.0229070 -0.9161830 H 1.4332000 0.0360010 2.8068390 H -0.9981180 0.0910440 -0.8166230 H -0.8556480 0.1363750 1.7350170 H 3.4932660 -0.1043420 1.3487470 H 3.1806180 -0.1391230 -1.1898720 H 0.9004190 0.3244900 -3.5078950 H 0.8408700 -0.4206900 -3.4743500 H 4.9564000 -0.2638290 -2.7246740 H 5.1300220 0.3791910 -2.3903300 timestep 1121 15 0 0 0.000100 C -0.0617280 0.0529960 -0.2684660 C 0.0517350 0.0758830 1.1431750 C 1.3356950 0.0189310 1.7249380 C 2.4951340 -0.0597380 0.9248430 C 2.3557210 -0.0811670 -0.4845050 N 1.0983400 -0.0228980 -0.9162940 H 1.4335510 0.0359170 2.8067340 H -0.9984590 0.0913420 -0.8162480 H -0.8554650 0.1366060 1.7354110 H 3.4932820 -0.1047100 1.3481820 H 3.1801070 -0.1393350 -1.1903000 H 0.8996930 0.3243300 -3.5088390 H 0.8399120 -0.4207880 -3.4741800 H 4.9591520 -0.2645780 -2.7224780 H 5.1302830 0.3805930 -2.3909830 timestep 1141 15 0 0 0.000100 C -0.0576970 0.0505140 -0.2697910 C 0.0498360 0.0738100 1.1419880 C 1.3313810 0.0200020 1.7294400 C 2.4940820 -0.0559890 0.9344610 C 2.3608180 -0.0770750 -0.4757400 N 1.1053880 -0.0224110 -0.9132420 H 1.4242530 0.0372270 2.8116650 H -0.9913260 0.0869260 -0.8228840 H -0.8597650 0.1324680 1.7307920 H 3.4906190 -0.0984080 1.3618650 H 3.1886270 -0.1318200 -1.1778600 H 0.8993580 0.3252230 -3.4976540 H 0.8447610 -0.4213190 -3.4866920 H 4.9255300 -0.2437290 -2.7741810 H 5.1510870 0.3479620 -2.3811770 timestep 1161 15 0 0 0.000100 C -0.0576970 0.0505140 -0.2697910 C 0.0498360 0.0738100 1.1419880 C 1.3313810 0.0200020 1.7294400 C 2.4940820 -0.0559890 0.9344610 C 2.3608180 -0.0770750 -0.4757400 N 1.1053880 -0.0224110 -0.9132420 H 1.4242530 0.0372270 2.8116650 H -0.9913260 0.0869260 -0.8228840 H -0.8597650 0.1324680 1.7307920 H 3.4906190 -0.0984080 1.3618650 H 3.1886270 -0.1318200 -1.1778600 H 0.8993580 0.3252230 -3.4976540 H 0.8447610 -0.4213190 -3.4866920 H 4.9255300 -0.2437290 -2.7741810 H 5.1510870 0.3479620 -2.3811770 timestep 1181 15 0 0 0.000100 C -0.0576970 0.0505140 -0.2697910 C 0.0498360 0.0738100 1.1419880 C 1.3313810 0.0200020 1.7294400 C 2.4940820 -0.0559890 0.9344610 C 2.3608180 -0.0770750 -0.4757400 N 1.1053880 -0.0224110 -0.9132420 H 1.4242530 0.0372270 2.8116650 H -0.9913260 0.0869260 -0.8228840 H -0.8597650 0.1324680 1.7307920 H 3.4906190 -0.0984080 1.3618650 H 3.1886270 -0.1318200 -1.1778600 H 0.8993580 0.3252230 -3.4976540 H 0.8447610 -0.4213190 -3.4866920 H 4.9255300 -0.2437290 -2.7741810 H 5.1510870 0.3479620 -2.3811770