pyridine3Agp1.log 0 0 14 timestep 1 14 0 0 0.000100 C 0.0000000 0.0000000 0.0000000 C 0.0000000 0.0000000 1.4062040 C 1.2342040 0.0000000 2.0837780 C 2.4239350 0.0000000 1.3308450 C 2.3365820 0.0000000 -0.0726440 N 1.1467920 0.0000000 -0.7278420 H 1.2679750 0.0000000 3.1699990 H -0.9277070 0.0000000 -0.5650490 H -0.9408560 0.0000000 1.9481420 H 3.3966390 0.0000000 1.8132900 H 3.2273970 0.0000000 -0.6942310 Ag 1.1009610 -0.0000050 -3.2106260 Ag 1.0224910 0.0000000 -4.7259100 Ag 0.9758780 0.0000000 -6.2251860 timestep 21 14 0 0 0.000100 C -0.0009680 0.0000000 -0.0011070 C -0.0005780 0.0000000 1.4041110 C 1.2334900 0.0000000 2.0821370 C 2.4239610 0.0000000 1.3302030 C 2.3387300 0.0000000 -0.0724050 N 1.1477720 0.0000000 -0.7280400 H 1.2665980 0.0000000 3.1681640 H -0.9289350 0.0000000 -0.5650500 H -0.9414380 0.0000000 1.9454810 H 3.3960510 0.0000000 1.8132580 H 3.2305950 0.0000000 -0.6918570 Ag 1.1127650 -0.0000060 -3.1279480 Ag 1.0197760 0.0000000 -4.7258750 Ag 0.9664710 0.0000000 -6.3003030 timestep 41 14 0 0 0.000100 C -0.0022470 0.0000000 -0.0027210 C -0.0013500 0.0000000 1.4011010 C 1.2325040 0.0000000 2.0798070 C 2.4240460 0.0000000 1.3293260 C 2.3418570 0.0000000 -0.0720330 N 1.1492700 0.0000000 -0.7283250 H 1.2646390 0.0000000 3.1655580 H -0.9305620 0.0000000 -0.5651280 H -0.9422320 0.0000000 1.9416390 H 3.3952490 0.0000000 1.8132740 H 3.2352200 0.0000000 -0.6884340 Ag 1.1287080 -0.0000070 -3.0110040 Ag 1.0154110 0.0000010 -4.7257710 Ag 0.9537790 0.0000010 -6.4065200 timestep 61 14 0 0 0.000100 C -0.0034220 0.0000000 -0.0043900 C -0.0020690 0.0000000 1.3980350 C 1.2315460 0.0000000 2.0774660 C 2.4241870 0.0000000 1.3284850 C 2.3450880 0.0000000 -0.0716230 N 1.1508960 0.0000000 -0.7286150 H 1.2626700 0.0000000 3.1629420 H -0.9320640 0.0000000 -0.5652950 H -0.9429910 0.0000000 1.9377080 H 3.3944840 0.0000000 1.8133610 H 3.2399610 0.0000000 -0.6849360 Ag 1.1437220 -0.0000070 -2.8940260 Ag 1.0104510 0.0000020 -4.7256080 Ag 0.9418330 0.0000010 -6.5127330 timestep 81 14 0 0 0.000100 C -0.0044940 0.0000000 -0.0061110 C -0.0027300 0.0000000 1.3949190 C 1.2306250 0.0000000 2.0751140 C 2.4243870 0.0000000 1.3276740 C 2.3484230 0.0000000 -0.0711770 N 1.1526480 0.0000000 -0.7289100 H 1.2607010 0.0000010 3.1603150 H -0.9334400 0.0000000 -0.5655430 H -0.9437090 0.0000000 1.9336960 H 3.3937610 0.0000000 1.8135110 H 3.2448170 0.0000000 -0.6813670 Ag 1.1577520 -0.0000080 -2.7770080 Ag 1.0049070 0.0000020 -4.7253930 Ag 0.9306430 0.0000010 -6.6189500 timestep 101 14 0 0 0.000100 C -0.0054620 0.0000000 -0.0078780 C -0.0033270 0.0000000 1.3917550 C 1.2297460 0.0000000 2.0727510 C 2.4246530 0.0000000 1.3268920 C 2.3518610 0.0000000 -0.0706990 N 1.1545250 -0.0000010 -0.7292080 H 1.2587430 0.0000010 3.1576770 H -0.9346940 -0.0000010 -0.5658660 H -0.9443780 0.0000000 1.9296100 H 3.3930860 0.0000000 1.8137190 H 3.2497840 -0.0000010 -0.6777340 Ag 1.1707440 -0.0000090 -2.6599430 Ag 0.9987890 0.0000030 -4.7251290 Ag 0.9202220 0.0000010 -6.7251760 timestep 121 14 0 0 0.000100 C -0.0063250 0.0000000 -0.0096880 C -0.0038570 0.0000000 1.3885490 C 1.2289180 0.0000000 2.0703790 C 2.4249870 0.0000000 1.3261340 C 2.3554020 -0.0000010 -0.0701900 N 1.1565230 -0.0000010 -0.7295100 H 1.2568070 0.0000010 3.1550290 H -0.9358280 -0.0000010 -0.5662550 H -0.9449920 0.0000000 1.9254580 H 3.3924660 0.0000000 1.8139760 H 3.2548600 -0.0000010 -0.6740420 Ag 1.1826510 -0.0000090 -2.5428280 Ag 0.9921040 0.0000040 -4.7248230 Ag 0.9105760 0.0000010 -6.8314170 timestep 141 14 0 0 0.000100 C -0.0012860 -0.0000010 0.0125390 C -0.0029140 0.0000000 1.4106490 C 1.2256830 0.0000010 2.0984460 C 2.4238520 0.0000000 1.3588790 C 2.3619850 -0.0000010 -0.0375410 N 1.1643100 -0.0000020 -0.7093070 H 1.2488310 0.0000020 3.1833000 H -0.9305760 -0.0000010 -0.5442540 H -0.9464810 0.0000010 1.9435860 H 3.3893470 0.0000010 1.8510080 H 3.2670830 -0.0000010 -0.6327630 Ag 1.2200350 -0.0000140 -2.5348620 Ag 0.9666740 0.0000060 -4.8278750 Ag 0.8777480 0.0000030 -7.0410350 timestep 161 14 0 0 0.000100 C 0.0041260 -0.0000010 0.0352730 C -0.0018990 0.0000010 1.4332390 C 1.2222730 0.0000020 2.1273070 C 2.4226590 0.0000010 1.3926940 C 2.3688800 -0.0000010 -0.0037830 N 1.1726410 -0.0000020 -0.6885340 H 1.2404110 0.0000030 3.2123520 H -0.9248780 -0.0000020 -0.5218620 H -0.9480200 0.0000020 1.9619540 H 3.3860410 0.0000020 1.8893300 H 3.2797630 -0.0000020 -0.5899620 Ag 1.2593680 -0.0000190 -2.5268370 Ag 0.9387880 0.0000090 -4.9335120 Ag 0.8441390 0.0000040 -7.2568890 timestep 181 14 0 0 0.000100 C 0.0097370 -0.0000020 0.0578330 C -0.0008410 0.0000010 1.4556420 C 1.2187970 0.0000020 2.1560800 C 2.4214400 0.0000010 1.4265370 C 2.3758570 -0.0000020 0.0300460 N 1.1812450 -0.0000030 -0.6678210 H 1.2318190 0.0000040 3.2412940 H -0.9189230 -0.0000030 -0.4997420 H -0.9495530 0.0000020 1.9800190 H 3.3826450 0.0000020 1.9277490 H 3.2924830 -0.0000020 -0.5469580 Ag 1.2993700 -0.0000240 -2.5189790 Ag 0.9093130 0.0000110 -5.0385040 Ag 0.8109030 0.0000060 -7.4724250 timestep 201 14 0 0 0.000100 C 0.0155270 -0.0000020 0.0802400 C 0.0002650 0.0000010 1.4778770 C 1.2152680 0.0000030 2.1847630 C 2.4201940 0.0000010 1.4603850 C 2.3828930 -0.0000020 0.0639270 N 1.1900950 -0.0000040 -0.6471680 H 1.2230850 0.0000060 3.2701220 H -0.9127390 -0.0000030 -0.4778560 H -0.9510670 0.0000030 1.9978150 H 3.3791680 0.0000030 1.9662300 H 3.3052070 -0.0000030 -0.5037840 Ag 1.3399250 -0.0000300 -2.5112650 Ag 0.8783380 0.0000140 -5.1428580 Ag 0.7781320 0.0000070 -7.6876580 timestep 221 14 0 0 0.000100 C 0.0214800 -0.0000020 0.1025150 C 0.0014230 0.0000020 1.4999620 C 1.2117000 0.0000040 2.2133550 C 2.4189240 0.0000020 1.4942210 C 2.3899670 -0.0000020 0.0978430 N 1.1991600 -0.0000050 -0.6265690 H 1.2142380 0.0000070 3.2988340 H -0.9063500 -0.0000040 -0.4561710 H -0.9525490 0.0000030 2.0153750 H 3.3756170 0.0000030 2.0047370 H 3.3179040 -0.0000030 -0.4604720 Ag 1.3809240 -0.0000350 -2.5036730 Ag 0.8459520 0.0000170 -5.2465880 Ag 0.7459020 0.0000090 -7.9025990 timestep 241 14 0 0 0.000100 C 0.0376600 -0.0000040 0.1457130 C 0.0012560 0.0000030 1.5440460 C 1.2090430 0.0000060 2.2653820 C 2.4214320 0.0000030 1.5491300 C 2.3892630 -0.0000030 0.1524340 N 1.2105630 -0.0000070 -0.5607230 H 1.2062060 0.0000110 3.3507850 H -0.8786590 -0.0000060 -0.4345010 H -0.9583640 0.0000050 2.0491520 H 3.3787370 0.0000060 2.0587870 H 3.3104590 -0.0000040 -0.4200910 Ag 1.3896090 -0.0000510 -2.6902270 Ag 0.8213970 0.0000170 -5.4162680 Ag 0.7256860 0.0000180 -8.0628490 timestep 261 14 0 0 0.000100 C 0.0480520 -0.0000060 0.1716160 C 0.0030150 0.0000040 1.5733690 C 1.2090190 0.0000080 2.2981980 C 2.4260710 0.0000050 1.5888020 C 2.3978000 -0.0000050 0.1888880 N 1.2245220 -0.0000110 -0.5168380 H 1.2017860 0.0000150 3.3838880 H -0.8631090 -0.0000090 -0.4176290 H -0.9588660 0.0000070 2.0751450 H 3.3809430 0.0000090 2.1039870 H 3.3177350 -0.0000060 -0.3867340 Ag 1.3736090 -0.0000610 -2.7316390 Ag 0.7711790 0.0000220 -5.5375670 Ag 0.7325360 0.0000230 -8.2627160 timestep 281 14 0 0 0.000100 C 0.0444340 -0.0000060 0.1602000 C 0.0034830 0.0000040 1.5623120 C 1.2122270 0.0000090 2.2826080 C 2.4279870 0.0000050 1.5718110 C 2.3972980 -0.0000050 0.1711480 N 1.2216280 -0.0000110 -0.5283220 H 1.2079090 0.0000150 3.3683800 H -0.8689340 -0.0000100 -0.4249270 H -0.9559630 0.0000070 2.0685830 H 3.3829240 0.0000090 2.0866600 H 3.3163570 -0.0000070 -0.4050950 Ag 1.3353570 -0.0000590 -2.7340060 Ag 0.7760200 0.0000210 -5.4884330 Ag 0.7635640 0.0000230 -8.1601480 timestep 301 14 0 0 0.000100 C 0.0458820 -0.0000090 0.1585090 C 0.0059560 0.0000040 1.5609670 C 1.2164710 0.0000110 2.2790280 C 2.4322040 0.0000070 1.5688320 C 2.4006430 -0.0000060 0.1670010 N 1.2247490 -0.0000140 -0.5262020 H 1.2131700 0.0000200 3.3649300 H -0.8673490 -0.0000140 -0.4263690 H -0.9520200 0.0000080 2.0700100 H 3.3865900 0.0000120 2.0846150 H 3.3183890 -0.0000090 -0.4109160 Ag 1.2811910 -0.0000700 -2.7458860 Ag 0.7444090 0.0000240 -5.4816380 Ag 0.8140070 0.0000290 -8.1321110 timestep 321 14 0 0 0.000100 C 0.0494770 -0.0000130 0.1593320 C 0.0102020 0.0000060 1.5619300 C 1.2222850 0.0000160 2.2781650 C 2.4378780 0.0000100 1.5683430 C 2.4058120 -0.0000090 0.1652660 N 1.2300880 -0.0000210 -0.5227150 H 1.2196570 0.0000290 3.3641550 H -0.8637100 -0.0000210 -0.4253350 H -0.9464620 0.0000110 2.0735190 H 3.3918480 0.0000180 2.0848510 H 3.3222560 -0.0000140 -0.4144470 Ag 1.2118300 -0.0000890 -2.7579050 Ag 0.6821730 0.0000310 -5.4846050 Ag 0.8909590 0.0000400 -8.1197830 timestep 341 14 0 0 0.000100 C 0.0550540 -0.0000200 0.1602040 C 0.0175900 0.0000070 1.5626420 C 1.2319990 0.0000230 2.2760720 C 2.4465340 0.0000140 1.5654340 C 2.4128200 -0.0000140 0.1609690 N 1.2371520 -0.0000310 -0.5210600 H 1.2309830 0.0000430 3.3621500 H -0.8588050 -0.0000320 -0.4231430 H -0.9372480 0.0000150 2.0777390 H 3.4006370 0.0000260 2.0816440 H 3.3273170 -0.0000210 -0.4215310 Ag 1.1089320 -0.0001140 -2.7707920 Ag 0.5656560 0.0000450 -5.4850550 Ag 1.0256700 0.0000520 -8.0945020 timestep 361 14 0 0 0.000100 C 0.0757470 -0.0000250 0.1428020 C 0.0237770 0.0000030 1.5438820 C 1.2331400 0.0000200 2.2681310 C 2.4543090 0.0000100 1.5711350 C 2.4356020 -0.0000180 0.1639500 N 1.2692080 -0.0000370 -0.5239950 H 1.2211380 0.0000410 3.3542590 H -0.8321700 -0.0000390 -0.4493010 H -0.9343270 0.0000110 2.0530400 H 3.4022930 0.0000240 2.0983660 H 3.3540980 -0.0000260 -0.4117400 Ag 1.0505370 -0.0000610 -2.8028120 Ag 0.3418300 0.0000890 -5.4678400 Ag 1.1691110 0.0000010 -8.0091070 timestep 381 14 0 0 0.000100 C 0.0960160 -0.0000290 0.1235980 C 0.0285800 0.0000000 1.5228610 C 1.2310040 0.0000180 2.2604180 C 2.4590160 0.0000080 1.5773950 C 2.4561720 -0.0000200 0.1687780 N 1.2992360 -0.0000390 -0.5307860 H 1.2067290 0.0000390 3.3463580 H -0.8052610 -0.0000440 -0.4784020 H -0.9341270 0.0000080 2.0233220 H 3.4010170 0.0000220 2.1151730 H 3.3803530 -0.0000270 -0.3975960 Ag 1.0237350 -0.0000280 -2.8292040 Ag 0.1534290 0.0001210 -5.4502270 Ag 1.2683920 -0.0000370 -7.9209180 timestep 401 14 0 0 0.000100 C 0.1237700 -0.0000310 0.0906660 C 0.0330090 -0.0000020 1.4868900 C 1.2237150 0.0000150 2.2449250 C 2.4615120 0.0000060 1.5817860 C 2.4824670 -0.0000220 0.1723510 N 1.3398910 -0.0000420 -0.5479780 H 1.1809530 0.0000360 3.3302610 H -0.7679320 -0.0000470 -0.5255150 H -0.9371970 0.0000050 1.9727800 H 3.3949940 0.0000200 2.1341470 H 3.4154350 -0.0000270 -0.3794880 Ag 1.0186380 0.0000030 -2.8639740 Ag -0.0602530 0.0001570 -5.4005660 Ag 1.3552900 -0.0000770 -7.7655140 timestep 421 14 0 0 0.000100 C 0.1600280 -0.0000350 0.0348990 C 0.0367290 -0.0000010 1.4264290 C 1.2087720 0.0000180 2.2143880 C 2.4596180 0.0000060 1.5783980 C 2.5132230 -0.0000260 0.1699800 N 1.3912170 -0.0000470 -0.5848860 H 1.1399770 0.0000420 3.2982470 H -0.7180160 -0.0000540 -0.6011830 H -0.9449540 0.0000080 1.8887640 H 3.3817440 0.0000200 2.1495780 H 3.4596860 -0.0000340 -0.3589740 Ag 1.0496240 0.0000020 -2.9091210 Ag -0.2884100 0.0001890 -5.2774900 Ag 1.4150520 -0.0000940 -7.4982590 timestep 441 14 0 0 0.000100 C 0.2152150 -0.0000380 -0.0510770 C 0.0420520 0.0000020 1.3317540 C 1.1838570 0.0000220 2.1648910 C 2.4536330 0.0000040 1.5712070 C 2.5574040 -0.0000320 0.1658220 N 1.4690680 -0.0000530 -0.6410060 H 1.0750670 0.0000490 3.2452570 H -0.6408800 -0.0000620 -0.7172670 H -0.9562040 0.0000140 1.7572520 H 3.3575230 0.0000170 2.1709180 H 3.5235360 -0.0000430 -0.3272650 Ag 1.0936320 0.0000060 -2.9861820 Ag -0.5780330 0.0002200 -5.0710510 Ag 1.4684200 -0.0001120 -7.0824830 timestep 461 14 0 0 0.000100 C 0.2692840 -0.0000370 -0.1364880 C 0.0479670 0.0000070 1.2360480 C 1.1586010 0.0000250 2.1121480 C 2.4453020 0.0000000 1.5600240 C 2.5976610 -0.0000380 0.1592970 N 1.5445800 -0.0000540 -0.6970210 H 1.0110290 0.0000540 3.1876890 H -0.5644680 -0.0000650 -0.8312660 H -0.9651220 0.0000220 1.6250470 H 3.3307190 0.0000090 2.1867730 H 3.5816530 -0.0000520 -0.2981660 Ag 1.1236680 0.0000170 -3.0682690 Ag -0.8165040 0.0002270 -4.8446290 Ag 1.4999230 -0.0001190 -6.6604150 timestep 481 14 0 0 0.000100 C 0.3073540 -0.0000360 -0.2195950 C 0.0455050 0.0000150 1.1554360 C 1.1374320 0.0000330 2.0518730 C 2.4437880 0.0000020 1.5404870 C 2.6312380 -0.0000450 0.1411430 N 1.5936770 -0.0000630 -0.7124770 H 0.9641140 0.0000740 3.1241440 H -0.5068160 -0.0000610 -0.9365670 H -0.9764700 0.0000380 1.5209980 H 3.3077540 0.0000150 2.1963750 H 3.6270150 -0.0000630 -0.2886730 Ag 1.1668030 -0.0000840 -3.1676290 Ag -0.9955240 0.0002210 -4.6315570 Ag 1.5184220 -0.0000510 -6.2431860 timestep 501 14 0 0 0.000100 C 0.2256830 -0.0000760 -0.2559010 C 0.0225120 -0.0000020 1.2315110 C 1.1625060 0.0000470 1.9950280 C 2.4772240 0.0000340 1.4088820 C 2.5001240 -0.0000440 0.0039140 N 1.3319080 -0.0001040 -0.6005420 H 1.0907520 0.0001160 3.0828150 H -0.6120850 -0.0000970 -0.9409850 H -0.9786720 0.0000240 1.6487880 H 3.3736760 0.0000780 2.0210980 H 3.4572030 -0.0000610 -0.5025190 Ag 1.3821110 -0.0002850 -3.1276760 Ag -0.8324760 0.0003420 -4.6156990 Ag 1.6638270 0.0000220 -5.8179440 timestep 521 14 0 0 0.000100 C 0.2919520 -0.0000430 -0.2267410 C 0.0410280 0.0000120 1.1689040 C 1.1427760 0.0000350 2.0422830 C 2.4517440 0.0000080 1.5193160 C 2.6113910 -0.0000440 0.1179700 N 1.5466560 -0.0000710 -0.6925600 H 0.9866080 0.0000810 3.1178980 H -0.5271830 -0.0000670 -0.9373190 H -0.9772980 0.0000350 1.5441340 H 3.3208940 0.0000270 2.1685670 H 3.6009080 -0.0000610 -0.3252970 Ag 1.2035000 -0.0001190 -3.1667950 Ag -0.9711110 0.0002430 -4.6297180 Ag 1.5424270 -0.0000410 -6.1698730 timestep 541 14 0 0 0.000100 C 0.2910380 -0.0000390 -0.2544540 C 0.0367150 0.0000120 1.1380900 C 1.1365560 0.0000320 2.0138850 C 2.4482120 0.0000060 1.4945170 C 2.6181070 -0.0000430 0.0955000 N 1.5543860 -0.0000680 -0.7236180 H 0.9778950 0.0000740 3.0889910 H -0.5315760 -0.0000580 -0.9615270 H -0.9828080 0.0000340 1.5100650 H 3.3131610 0.0000230 2.1490620 H 3.6090030 -0.0000600 -0.3445430 Ag 1.2236860 -0.0000890 -3.1928880 Ag -0.9940080 0.0002370 -4.5109920 Ag 1.5639240 -0.0000650 -5.9713180 timestep 561 14 0 0 0.000100 C 0.2068090 -0.0000410 -0.2017140 C 0.0238130 0.0000000 1.1989120 C 1.1607570 0.0000240 2.0193690 C 2.4503640 0.0000090 1.4320470 C 2.5662090 -0.0000370 0.0367200 N 1.4522250 -0.0000620 -0.7567710 H 1.0573470 0.0000580 3.1005780 H -0.6628750 -0.0000580 -0.8518010 H -0.9790730 0.0000130 1.6128420 H 3.3424480 0.0000270 2.0485710 H 3.5337750 -0.0000560 -0.4526170 Ag 1.2354590 0.0000130 -3.0765940 Ag -0.8072940 0.0002410 -4.5906200 Ag 1.6843260 -0.0001360 -5.9881530 timestep 581 14 0 0 0.000100 C 0.1311430 -0.0000380 -0.1614930 C 0.0169440 0.0000000 1.2460030 C 1.1898600 0.0000280 2.0118680 C 2.4500140 0.0000120 1.3650880 C 2.4999670 -0.0000340 -0.0316670 N 1.3459140 -0.0000550 -0.7713260 H 1.1438320 0.0000600 3.0972150 H -0.7648140 -0.0000550 -0.7731830 H -0.9659170 0.0000090 1.7049160 H 3.3653780 0.0000290 1.9470630 H 3.4366910 -0.0000640 -0.5753860 Ag 1.2701440 -0.0000250 -2.9964410 Ag -0.6969810 0.0002280 -4.6518400 Ag 1.8421150 -0.0000990 -5.8800460 timestep 601 14 0 0 0.000100 C 0.0823730 -0.0000310 -0.1245460 C 0.0169060 0.0000040 1.2796730 C 1.2172570 0.0000260 2.0116730 C 2.4493260 0.0000080 1.3267210 C 2.4447380 -0.0000320 -0.0757160 N 1.2750080 -0.0000480 -0.7727620 H 1.2058660 0.0000540 3.0979490 H -0.8206810 -0.0000420 -0.7238190 H -0.9478490 0.0000130 1.7756880 H 3.3836980 0.0000230 1.8782440 H 3.3609850 -0.0000600 -0.6534840 Ag 1.2964710 -0.0000540 -2.9857320 Ag -0.6735440 0.0002030 -4.7465510 Ag 1.9737370 -0.0000680 -5.7565690 timestep 621 14 0 0 0.000100 C 0.0416920 -0.0000220 -0.0867830 C 0.0193160 0.0000060 1.3147720 C 1.2430350 0.0000170 2.0144850 C 2.4497770 0.0000000 1.2924400 C 2.3965130 -0.0000280 -0.1119680 N 1.2133590 -0.0000380 -0.7772050 H 1.2561380 0.0000380 3.1004920 H -0.8726070 -0.0000280 -0.6688780 H -0.9275960 0.0000170 1.8443250 H 3.4062060 0.0000090 1.8044960 H 3.3025440 -0.0000470 -0.7080460 Ag 1.2847680 -0.0000310 -2.9879510 Ag -0.6318520 0.0001650 -4.8731120 Ag 2.0829990 -0.0000640 -5.6262980 timestep 641 14 0 0 0.000100 C 0.0096500 -0.0000100 -0.0394610 C 0.0251630 0.0000070 1.3602220 C 1.2671590 0.0000080 2.0311730 C 2.4512880 -0.0000090 1.2764780 C 2.3569410 -0.0000230 -0.1273640 N 1.1613730 -0.0000220 -0.7678070 H 1.3018900 0.0000200 3.1165820 H -0.9182690 -0.0000150 -0.5999420 H -0.9066640 0.0000180 1.9158610 H 3.4262380 -0.0000100 1.7521540 H 3.2540810 -0.0000350 -0.7383470 Ag 1.2252920 0.0000170 -2.9874570 Ag -0.5580410 0.0001180 -5.0530210 Ag 2.1681900 -0.0000700 -5.6082990 timestep 661 14 0 0 0.000100 C -0.0321380 0.0000120 0.0254220 C 0.0381880 0.0000150 1.4229420 C 1.3037600 -0.0000010 2.0484600 C 2.4556020 -0.0000210 1.2456530 C 2.3061130 -0.0000180 -0.1530250 N 1.0878520 0.0000000 -0.7571070 H 1.3748250 0.0000020 3.1319810 H -0.9846680 0.0000120 -0.4934630 H -0.8731980 0.0000280 2.0114240 H 3.4530160 -0.0000370 1.6720120 H 3.1858980 -0.0000270 -0.7897260 Ag 1.0807040 0.0000030 -2.9959360 Ag -0.4171010 0.0000440 -5.3305910 Ag 2.2854380 -0.0000160 -5.5072760 timestep 681 14 0 0 0.000100 C -0.0316520 0.0000170 0.0332870 C 0.0428520 0.0000150 1.4317680 C 1.3089890 -0.0000060 2.0518380 C 2.4590640 -0.0000220 1.2436240 C 2.3078500 -0.0000170 -0.1528030 N 1.0849730 0.0000020 -0.7545560 H 1.3879070 -0.0000080 3.1347960 H -0.9889440 0.0000280 -0.4771390 H -0.8689220 0.0000290 2.0196910 H 3.4564250 -0.0000400 1.6703260 H 3.1816740 -0.0000250 -0.7968500 Ag 1.0120760 0.0000010 -2.9988220 Ag -0.3902780 0.0000220 -5.3993510 Ag 2.3022760 -0.0000030 -5.4750390 timestep 701 14 0 0 0.000100 C -0.0215570 0.0000170 0.0228590 C 0.0442090 0.0000150 1.4238440 C 1.3054320 -0.0000050 2.0484750 C 2.4619960 -0.0000210 1.2455230 C 2.3220540 -0.0000180 -0.1495390 N 1.0987140 0.0000010 -0.7570160 H 1.3844970 -0.0000080 3.1314420 H -0.9784270 0.0000330 -0.4885430 H -0.8728920 0.0000280 2.0034270 H 3.4540430 -0.0000370 1.6846140 H 3.1937870 -0.0000300 -0.7953830 Ag 0.9785230 -0.0000050 -2.9929980 Ag -0.3977750 0.0000200 -5.3980470 Ag 2.2916860 0.0000040 -5.4478880 timestep 721 14 0 0 0.000100 C -0.0166620 0.0000170 0.0169990 C 0.0444020 0.0000140 1.4185160 C 1.3035690 -0.0000060 2.0464290 C 2.4630200 -0.0000220 1.2470480 C 2.3278920 -0.0000180 -0.1479940 N 1.1057910 0.0000010 -0.7583520 H 1.3811860 -0.0000090 3.1295120 H -0.9719010 0.0000340 -0.4973970 H -0.8746610 0.0000270 1.9949480 H 3.4527070 -0.0000360 1.6914800 H 3.1997990 -0.0000300 -0.7933720 Ag 0.9673600 0.0000060 -2.9864100 Ag -0.4043240 0.0000170 -5.3900430 Ag 2.2861140 0.0000000 -5.4405950 timestep 741 14 0 0 0.000100 C -0.0146240 0.0000170 0.0138180 C 0.0440350 0.0000140 1.4153530 C 1.3024470 -0.0000050 2.0451540 C 2.4633100 -0.0000210 1.2479760 C 2.3303440 -0.0000180 -0.1475170 N 1.1094530 0.0000010 -0.7588730 H 1.3781550 -0.0000080 3.1283870 H -0.9687340 0.0000330 -0.5026130 H -0.8755870 0.0000270 1.9908690 H 3.4521460 -0.0000370 1.6942400 H 3.2032920 -0.0000310 -0.7914880 Ag 0.9683410 0.0000070 -2.9835490 Ag -0.4099010 0.0000170 -5.3829370 Ag 2.2816150 -0.0000010 -5.4380500 timestep 761 14 0 0 0.000100 C -0.0132050 0.0000170 0.0117600 C 0.0438010 0.0000140 1.4130570 C 1.3018790 -0.0000060 2.0444490 C 2.4635390 -0.0000220 1.2490780 C 2.3318460 -0.0000180 -0.1470330 N 1.1123680 0.0000020 -0.7589670 H 1.3756370 -0.0000090 3.1278300 H -0.9661560 0.0000320 -0.5067080 H -0.8759550 0.0000260 1.9883420 H 3.4519860 -0.0000370 1.6961530 H 3.2059440 -0.0000300 -0.7894970 Ag 0.9685030 0.0000110 -2.9806460 Ag -0.4138510 0.0000160 -5.3799040 Ag 2.2779560 -0.0000020 -5.4371440 timestep 781 14 0 0 0.000100 C -0.0120770 0.0000170 0.0102860 C 0.0434820 0.0000140 1.4113640 C 1.3011870 -0.0000060 2.0442910 C 2.4635490 -0.0000220 1.2505190 C 2.3330770 -0.0000170 -0.1461410 N 1.1148590 0.0000020 -0.7589320 H 1.3730020 -0.0000090 3.1278080 H -0.9640800 0.0000320 -0.5098430 H -0.8765100 0.0000260 1.9862710 H 3.4517510 -0.0000380 1.6980990 H 3.2084180 -0.0000290 -0.7869750 Ag 0.9724240 0.0000100 -2.9797190 Ag -0.4182260 0.0000170 -5.3769490 Ag 2.2734350 -0.0000030 -5.4393090 timestep 801 14 0 0 0.000100 C -0.0102350 0.0000170 0.0084620 C 0.0431240 0.0000140 1.4093530 C 1.3000500 -0.0000060 2.0445490 C 2.4635130 -0.0000220 1.2529410 C 2.3350600 -0.0000170 -0.1442980 N 1.1184180 0.0000030 -0.7588330 H 1.3693410 -0.0000090 3.1282330 H -0.9610430 0.0000320 -0.5137820 H -0.8775050 0.0000260 1.9832510 H 3.4512630 -0.0000380 1.7014900 H 3.2119950 -0.0000280 -0.7830230 Ag 0.9780520 0.0000100 -2.9791130 Ag -0.4241380 0.0000180 -5.3736820 Ag 2.2663950 -0.0000050 -5.4447790 timestep 821 14 0 0 0.000100 C -0.0075040 0.0000180 0.0063750 C 0.0428540 0.0000140 1.4072130 C 1.2984670 -0.0000060 2.0453590 C 2.4635110 -0.0000220 1.2563830 C 2.3380550 -0.0000160 -0.1413160 N 1.1230960 0.0000040 -0.7586920 H 1.3648860 -0.0000100 3.1292190 H -0.9571020 0.0000320 -0.5180520 H -0.8789660 0.0000260 1.9792100 H 3.4505190 -0.0000380 1.7065550 H 3.2167800 -0.0000260 -0.7776180 Ag 0.9841340 0.0000080 -2.9794500 Ag -0.4311780 0.0000200 -5.3715420 Ag 2.2567390 -0.0000060 -5.4528740 timestep 841 14 0 0 0.000100 C -0.0037500 0.0000180 0.0033250 C 0.0424740 0.0000130 1.4043460 C 1.2960410 -0.0000070 2.0462740 C 2.4633980 -0.0000210 1.2605940 C 2.3422630 -0.0000150 -0.1373540 N 1.1290300 0.0000040 -0.7588440 H 1.3593280 -0.0000110 3.1303130 H -0.9520270 0.0000320 -0.5235210 H -0.8812550 0.0000250 1.9732720 H 3.4491170 -0.0000370 1.7135980 H 3.2228510 -0.0000250 -0.7710670 Ag 0.9930570 0.0000050 -2.9806300 Ag -0.4407500 0.0000230 -5.3655730 Ag 2.2445120 -0.0000090 -5.4639620 timestep 861 14 0 0 0.000100 C 0.0000050 0.0000170 0.0001290 C 0.0421060 0.0000130 1.4015210 C 1.2934830 -0.0000060 2.0469570 C 2.4632270 -0.0000210 1.2642970 C 2.3464650 -0.0000150 -0.1335890 N 1.1345010 0.0000030 -0.7592120 H 1.3543470 -0.0000100 3.1311240 H -0.9471720 0.0000320 -0.5287660 H -0.8836820 0.0000240 1.9670990 H 3.4474370 -0.0000360 1.7206080 H 3.2283840 -0.0000250 -0.7653890 Ag 1.0014680 0.0000040 -2.9818330 Ag -0.4497980 0.0000270 -5.3572310 Ag 2.2335200 -0.0000110 -5.4749450 timestep 881 14 0 0 0.000100 C 0.0014980 0.0000160 -0.0013450 C 0.0419240 0.0000120 1.4003080 C 1.2923420 -0.0000060 2.0470090 C 2.4631010 -0.0000200 1.2654110 C 2.3480940 -0.0000150 -0.1322700 N 1.1363690 0.0000020 -0.7595580 H 1.3526460 -0.0000100 3.1312020 H -0.9453470 0.0000310 -0.5308930 H -0.8847550 0.0000240 1.9644150 H 3.4465710 -0.0000350 1.7233380 H 3.2302610 -0.0000260 -0.7636810 Ag 1.0049070 0.0000050 -2.9822050 Ag -0.4532200 0.0000280 -5.3516250 Ag 2.2299000 -0.0000120 -5.4793360 timestep 901 14 0 0 0.000100 C 0.0014980 0.0000160 -0.0013450 C 0.0419240 0.0000120 1.4003080 C 1.2923420 -0.0000060 2.0470090 C 2.4631010 -0.0000200 1.2654110 C 2.3480940 -0.0000150 -0.1322700 N 1.1363690 0.0000020 -0.7595580 H 1.3526460 -0.0000100 3.1312020 H -0.9453470 0.0000310 -0.5308930 H -0.8847550 0.0000240 1.9644150 H 3.4465710 -0.0000350 1.7233380 H 3.2302610 -0.0000260 -0.7636810 Ag 1.0049070 0.0000050 -2.9822050 Ag -0.4532200 0.0000280 -5.3516250 Ag 2.2299000 -0.0000120 -5.4793360 timestep 921 14 0 0 0.000100 C 0.0014980 0.0000160 -0.0013450 C 0.0419240 0.0000120 1.4003080 C 1.2923420 -0.0000060 2.0470090 C 2.4631010 -0.0000200 1.2654110 C 2.3480940 -0.0000150 -0.1322700 N 1.1363690 0.0000020 -0.7595580 H 1.3526460 -0.0000100 3.1312020 H -0.9453470 0.0000310 -0.5308930 H -0.8847550 0.0000240 1.9644150 H 3.4465710 -0.0000350 1.7233380 H 3.2302610 -0.0000260 -0.7636810 Ag 1.0049070 0.0000050 -2.9822050 Ag -0.4532200 0.0000280 -5.3516250 Ag 2.2299000 -0.0000120 -5.4793360