pyridine4Agp1.log 0 0 15 timestep 1 15 0 0 0.000100 C 0.1903480 0.2527100 -0.0668460 C -0.0897850 0.4271680 1.2951500 C 0.9113970 0.1384610 2.2424620 C 2.1611990 -0.3196190 1.7876870 C 2.3676770 -0.4740100 0.4073370 N 1.4048350 -0.1923350 -0.5094400 H 0.7214240 0.2655220 3.3039900 H -0.5605790 0.4606230 -0.8216360 H -1.0706120 0.7788350 1.5976430 H 2.9613430 -0.5574450 2.4804710 H 3.3191110 -0.8374260 0.0317200 Ag 1.8166530 -0.3983150 -2.7075570 Ag 1.2796770 -1.0577950 -5.3077070 Ag 3.6778520 0.1235780 -4.7096280 Ag 6.2647300 1.1571610 -5.0810320 timestep 21 15 0 0 0.000100 C 0.2107690 0.2707270 -0.0769050 C -0.0807840 0.4546260 1.2818700 C 0.9025250 0.1418680 2.2405800 C 2.1476170 -0.3467490 1.8030870 C 2.3700530 -0.5052090 0.4263460 N 1.4195420 -0.2020010 -0.5016950 H 0.7022120 0.2743840 3.2995690 H -0.5231350 0.5009090 -0.8419920 H -1.0547230 0.8324670 1.5748220 H 2.9327890 -0.6026600 2.5066480 H 3.3173000 -0.8853210 0.0578770 Ag 1.8397850 -0.4379630 -2.6879080 Ag 1.2971600 -1.1120350 -5.2888620 Ag 3.6653060 0.1395510 -4.7254190 Ag 6.2088560 1.2445170 -5.1254070 timestep 41 15 0 0 0.000100 C 0.2439880 0.3015090 -0.0883640 C -0.0678320 0.4886570 1.2664800 C 0.8879300 0.1430780 2.2403380 C 2.1271400 -0.3792900 1.8242310 C 2.3704740 -0.5419580 0.4525060 N 1.4433960 -0.2070070 -0.4917690 H 0.6719100 0.2767580 3.2961620 H -0.4684100 0.5555250 -0.8660900 H -1.0348560 0.8935190 1.5457690 H 2.8903950 -0.6599390 2.5424610 H 3.3115110 -0.9456280 0.0946140 Ag 1.8743510 -0.4836190 -2.6639280 Ag 1.3246030 -1.1837390 -5.2650180 Ag 3.6491470 0.1571880 -4.7515490 Ag 6.1315230 1.3520590 -5.1932310 timestep 61 15 0 0 0.000100 C 0.2531710 0.3093620 -0.0907790 C -0.0636750 0.4990280 1.2625690 C 0.8833780 0.1430030 2.2410990 C 2.1197870 -0.3910610 1.8308430 C 2.3694760 -0.5524170 0.4604050 N 1.4502870 -0.2091450 -0.4886270 H 0.6635140 0.2775930 3.2959910 H -0.4521740 0.5735600 -0.8716050 H -1.0278970 0.9140980 1.5364280 H 2.8767720 -0.6787700 2.5528790 H 3.3093210 -0.9633490 0.1074610 Ag 1.8851880 -0.4936330 -2.6593060 Ag 1.3358100 -1.2085920 -5.2583160 Ag 3.6450520 0.1613520 -4.7607430 Ag 6.1072590 1.3860840 -5.2156880 timestep 81 15 0 0 0.000100 C 0.2754170 0.3300750 -0.0959560 C -0.0544570 0.5208890 1.2541020 C 0.8727500 0.1421630 2.2430060 C 2.1035260 -0.4147440 1.8454840 C 2.3666680 -0.5756280 0.4777190 N 1.4668130 -0.2112510 -0.4815490 H 0.6429650 0.2764170 3.2957980 H -0.4147980 0.6130330 -0.8837750 H -1.0136150 0.9548280 1.5161990 H 2.8457870 -0.7195390 2.5756810 H 3.3034750 -1.0029790 0.1359360 Ag 1.9104390 -0.5097150 -2.6497420 Ag 1.3604970 -1.2636780 -5.2406610 Ag 3.6364760 0.1686960 -4.7810150 Ag 6.0533250 1.4585450 -5.2686150 timestep 101 15 0 0 0.000100 C 0.2976660 0.3504330 -0.1004090 C -0.0448740 0.5421230 1.2462080 C 0.8619960 0.1406200 2.2449540 C 2.0862330 -0.4387110 1.8594240 C 2.3629920 -0.5976960 0.4940210 N 1.4832680 -0.2125930 -0.4746030 H 0.6223150 0.2744520 3.2955650 H -0.3770340 0.6516170 -0.8949040 H -0.9985860 0.9943470 1.4970840 H 2.8136930 -0.7608280 2.5969810 H 3.2962050 -1.0417170 0.1633890 Ag 1.9363710 -0.5175900 -2.6419270 Ag 1.3868580 -1.3206500 -5.2195190 Ag 3.6292070 0.1736300 -4.8002140 Ag 5.9989600 1.5296730 -5.3234390 timestep 121 15 0 0 0.000100 C 0.3180830 0.3702750 -0.1035910 C -0.0364000 0.5604390 1.2398290 C 0.8516510 0.1377770 2.2469290 C 2.0695450 -0.4608300 1.8715140 C 2.3585990 -0.6169860 0.5080050 N 1.4983950 -0.2116740 -0.4682380 H 0.6025970 0.2700070 3.2955330 H -0.3423680 0.6877240 -0.9037090 H -0.9851480 1.0280850 1.4811630 H 2.7833000 -0.7995680 2.6149370 H 3.2882240 -1.0759840 0.1873850 Ag 1.9611670 -0.5138130 -2.6364470 Ag 1.4132820 -1.3759950 -5.1949240 Ag 3.6251040 0.1746530 -4.8171150 Ag 5.9492410 1.5930020 -5.3786580 timestep 141 15 0 0 0.000100 C 0.3387940 0.3914280 -0.1067900 C -0.0274300 0.5792280 1.2334890 C 0.8414060 0.1343860 2.2480580 C 2.0521150 -0.4837040 1.8822640 C 2.3533990 -0.6367820 0.5205970 N 1.5129370 -0.2097720 -0.4622760 H 0.5827890 0.2647290 3.2945740 H -0.3070220 0.7248160 -0.9123130 H -0.9706050 1.0619930 1.4668850 H 2.7514830 -0.8403430 2.6309510 H 3.2781660 -1.1113650 0.2085320 Ag 1.9871930 -0.5028390 -2.6308160 Ag 1.4429890 -1.4358560 -5.1635420 Ag 3.6223730 0.1732500 -4.8312050 Ag 5.8966810 1.6579430 -5.4357950 timestep 161 15 0 0 0.000100 C 0.3506450 0.4051940 -0.1089970 C -0.0215840 0.5914770 1.2297210 C 0.8361440 0.1325190 2.2476510 C 2.0415720 -0.4982030 1.8869130 C 2.3493230 -0.6499110 0.5262740 N 1.5199400 -0.2082840 -0.4595590 H 0.5723220 0.2620260 3.2929870 H -0.2864550 0.7480220 -0.9174430 H -0.9605660 1.0836650 1.4603880 H 2.7320630 -0.8666020 2.6381750 H 3.2698720 -1.1343830 0.2172160 Ag 2.0031300 -0.4917610 -2.6268260 Ag 1.4643190 -1.4769130 -5.1391650 Ag 3.6218400 0.1703040 -4.8359370 Ag 5.8627060 1.6999600 -5.4687860 timestep 181 15 0 0 0.000100 C 0.3548570 0.4127850 -0.1104170 C -0.0183600 0.5986610 1.2281940 C 0.8352740 0.1323240 2.2462300 C 2.0372140 -0.5054930 1.8867140 C 2.3463040 -0.6574400 0.5263990 N 1.5204360 -0.2073880 -0.4596450 H 0.5702040 0.2619510 3.2912700 H -0.2788810 0.7596690 -0.9197320 H -0.9544820 1.0956770 1.4601170 H 2.7236900 -0.8803700 2.6385180 H 3.2633320 -1.1472610 0.2159200 Ag 2.0101220 -0.4842200 -2.6240610 Ag 1.4779510 -1.5021340 -5.1235730 Ag 3.6225400 0.1667170 -4.8336720 Ag 5.8450690 1.7236340 -5.4796500 timestep 201 15 0 0 0.000100 C 0.3556930 0.4163090 -0.1114430 C -0.0163730 0.6031350 1.2276110 C 0.8363580 0.1334990 2.2447210 C 2.0360130 -0.5086560 1.8849850 C 2.3442070 -0.6619520 0.5248510 N 1.5184010 -0.2077440 -0.4607180 H 0.5719880 0.2640390 3.2898540 H -0.2771770 0.7648290 -0.9207190 H -0.9504360 1.1030540 1.4615110 H 2.7209630 -0.8864710 2.6367730 H 3.2586630 -1.1546360 0.2118860 Ag 2.0126640 -0.4845710 -2.6216200 Ag 1.4862310 -1.5157990 -5.1170430 Ag 3.6224390 0.1649790 -4.8301480 Ag 5.8356360 1.7370950 -5.4778900 timestep 221 15 0 0 0.000100 C 0.3574770 0.4199830 -0.1124520 C -0.0137860 0.6084410 1.2268510 C 0.8371090 0.1351000 2.2435600 C 2.0341800 -0.5123060 1.8840140 C 2.3418520 -0.6671310 0.5242230 N 1.5170510 -0.2088330 -0.4614320 H 0.5733330 0.2667980 3.2887160 H -0.2739440 0.7709830 -0.9217950 H -0.9455370 1.1122370 1.4615800 H 2.7171500 -0.8931100 2.6361330 H 3.2538260 -1.1632960 0.2098640 Ag 2.0160160 -0.4895490 -2.6189450 Ag 1.4956510 -1.5294810 -5.1129410 Ag 3.6213660 0.1646590 -4.8286400 Ag 5.8235270 1.7526160 -5.4761230 timestep 241 15 0 0 0.000100 C 0.3602530 0.4247450 -0.1133880 C -0.0103470 0.6152080 1.2260340 C 0.8376490 0.1369850 2.2426630 C 2.0313620 -0.5171730 1.8834620 C 2.3386750 -0.6735600 0.5240420 N 1.5160580 -0.2102820 -0.4619660 H 0.5744390 0.2699820 3.2878050 H -0.2689990 0.7794320 -0.9228290 H -0.9392240 1.1242150 1.4608500 H 2.7117240 -0.9017790 2.6360290 H 3.2478420 -1.1743620 0.2090840 Ag 2.0202580 -0.4967090 -2.6163530 Ag 1.5082520 -1.5466500 -5.1091430 Ag 3.6200360 0.1645410 -4.8285060 Ag 5.8072920 1.7725180 -5.4751720 timestep 261 15 0 0 0.000100 C 0.3655500 0.4327460 -0.1145560 C -0.0047350 0.6258560 1.2247770 C 0.8377780 0.1393760 2.2418190 C 2.0261140 -0.5253950 1.8834440 C 2.3335680 -0.6834890 0.5245290 N 1.5157100 -0.2121750 -0.4623000 H 0.5748800 0.2739590 3.2868370 H -0.2596590 0.7938840 -0.9243010 H -0.9291720 1.1432240 1.4587930 H 2.7020060 -0.9163710 2.6367610 H 3.2386140 -1.1918620 0.2098770 Ag 2.0270170 -0.5066450 -2.6132410 Ag 1.5290500 -1.5742790 -5.1030370 Ag 3.6182570 0.1641490 -4.8300550 Ag 5.7802910 1.8041330 -5.4767360 timestep 281 15 0 0 0.000100 C 0.3771810 0.4478950 -0.1164820 C 0.0054950 0.6443660 1.2221350 C 0.8363380 0.1422110 2.2409360 C 2.0151460 -0.5410820 1.8850270 C 2.3247730 -0.7008280 0.5270520 N 1.5178300 -0.2145260 -0.4618590 H 0.5723710 0.2786310 3.2854390 H -0.2393550 0.8213460 -0.9273220 H -0.9112270 1.1764620 1.4534330 H 2.6819730 -0.9441830 2.6400160 H 3.2229140 -1.2227530 0.2146810 Ag 2.0400260 -0.5198510 -2.6086190 Ag 1.5668570 -1.6235440 -5.0896100 Ag 3.6153930 0.1632820 -4.8352050 Ag 5.7295550 1.8596870 -5.4870100 timestep 301 15 0 0 0.000100 C 0.3961700 0.4710180 -0.1190460 C 0.0210180 0.6709370 1.2181540 C 0.8330350 0.1449730 2.2399730 C 1.9975650 -0.5647480 1.8880680 C 2.3117870 -0.7255550 0.5314180 N 1.5229610 -0.2166610 -0.4606220 H 0.5662230 0.2830250 3.2835190 H -0.2063380 0.8629900 -0.9317150 H -0.8842670 1.2241330 1.4449610 H 2.6500260 -0.9863600 2.6454600 H 3.1997640 -1.2672210 0.2233090 Ag 2.0589900 -0.5340570 -2.6029340 Ag 1.6250840 -1.6955650 -5.0666860 Ag 3.6119260 0.1612490 -4.8439990 Ag 5.6513240 1.9389540 -5.5072490 timestep 321 15 0 0 0.000100 C 0.4077720 0.4863870 -0.1200180 C 0.0314670 0.6880470 1.2164870 C 0.8317920 0.1467190 2.2395550 C 1.9864370 -0.5795960 1.8889120 C 2.3024540 -0.7406460 0.5326150 N 1.5253210 -0.2173580 -0.4604610 H 0.5638920 0.2855040 3.2827060 H -0.1861460 0.8902490 -0.9331980 H -0.8661340 1.2545590 1.4410090 H 2.6302150 -1.0132070 2.6469150 H 3.1834920 -1.2951370 0.2270290 Ag 2.0670180 -0.5414650 -2.6016610 Ag 1.6668950 -1.7438380 -5.0521850 Ag 3.6114300 0.1578100 -4.8489120 Ag 5.5993660 1.9890840 -5.5161820 timestep 341 15 0 0 0.000100 C 0.4302030 0.5164580 -0.1219530 C 0.0531030 0.7215810 1.2135080 C 0.8309890 0.1506640 2.2380210 C 1.9650290 -0.6077990 1.8886400 C 2.2831000 -0.7698430 0.5326300 N 1.5285540 -0.2186170 -0.4613060 H 0.5618860 0.2912010 3.2805950 H -0.1471450 0.9428150 -0.9355770 H -0.8285750 1.3137230 1.4350870 H 2.5920290 -1.0647030 2.6469520 H 3.1493360 -1.3494430 0.2306950 Ag 2.0767100 -0.5549450 -2.6012750 Ag 1.7544410 -1.8388030 -5.0220210 Ag 3.6116100 0.1495940 -4.8552320 Ag 5.4940000 2.0852280 -5.5261520 timestep 361 15 0 0 0.000100 C 0.4396990 0.5298040 -0.1232750 C 0.0646220 0.7380160 1.2120010 C 0.8333130 0.1542970 2.2365300 C 1.9564260 -0.6196040 1.8866250 C 2.2730100 -0.7838770 0.5301810 N 1.5280770 -0.2206640 -0.4631950 H 0.5652970 0.2970280 3.2790720 H -0.1308440 0.9655730 -0.9366910 H -0.8087970 1.3423810 1.4333720 H 2.5766110 -1.0867700 2.6442570 H 3.1312560 -1.3758750 0.2291830 Ag 2.0721910 -0.5631090 -2.6045750 Ag 1.7993030 -1.8857640 -5.0093690 Ag 3.6125330 0.1439920 -4.8540770 Ag 5.4425710 2.1316840 -5.5174260 timestep 381 15 0 0 0.000100 C 0.4395910 0.5319760 -0.1252130 C 0.0712590 0.7459870 1.2106570 C 0.8410340 0.1610090 2.2340960 C 1.9580480 -0.6199550 1.8819300 C 2.2678380 -0.7903300 0.5241590 N 1.5228370 -0.2259680 -0.4673470 H 0.5777370 0.3085860 3.2771640 H -0.1318590 0.9679070 -0.9378570 H -0.7980470 1.3555600 1.4340250 H 2.5791050 -1.0886580 2.6378840 H 3.1214060 -1.3886060 0.2221410 Ag 2.0504980 -0.5742190 -2.6129440 Ag 1.8188790 -1.9088340 -5.0129520 Ag 3.6134290 0.1381490 -4.8439380 Ag 5.4235150 2.1545080 -5.4791950 timestep 401 15 0 0 0.000100 C 0.4361660 0.5274560 -0.1287110 C 0.0755650 0.7496160 1.2077490 C 0.8506940 0.1696980 2.2303210 C 1.9645820 -0.6146040 1.8768610 C 2.2664730 -0.7940290 0.5181620 N 1.5167370 -0.2341020 -0.4720500 H 0.5929810 0.3241550 3.2738060 H -0.1392960 0.9584160 -0.9411240 H -0.7918300 1.3610470 1.4334990 H 2.5892460 -1.0800500 2.6318850 H 3.1171750 -1.3953080 0.2142790 Ag 2.0243920 -0.5894160 -2.6207800 Ag 1.8209570 -1.9161340 -5.0246890 Ag 3.6111790 0.1348230 -4.8291150 Ag 5.4202520 2.1655440 -5.4274800 timestep 421 15 0 0 0.000100 C 0.4365510 0.5228370 -0.1331800 C 0.0798870 0.7530160 1.2030740 C 0.8570330 0.1772030 2.2264310 C 1.9685100 -0.6112070 1.8747530 C 2.2665100 -0.7993840 0.5164250 N 1.5145370 -0.2426400 -0.4746840 H 0.6021760 0.3382280 3.2696540 H -0.1402980 0.9497370 -0.9467320 H -0.7856450 1.3669120 1.4292420 H 2.5939330 -1.0739500 2.6308620 H 3.1147440 -1.4035460 0.2118670 Ag 2.0100060 -0.6051830 -2.6231760 Ag 1.8182410 -1.9179960 -5.0333640 Ag 3.6046790 0.1366790 -4.8182700 Ag 5.4144060 2.1764050 -5.3902900 timestep 441 15 0 0 0.000100 C 0.4449980 0.5234160 -0.1389340 C 0.0888280 0.7624390 1.1961560 C 0.8603920 0.1845300 2.2223500 C 1.9657890 -0.6147840 1.8756200 C 2.2637780 -0.8118510 0.5188360 N 1.5164770 -0.2523040 -0.4755130 H 0.6057890 0.3523380 3.2645920 H -0.1275360 0.9512010 -0.9550750 H -0.7716310 1.3842300 1.4200230 H 2.5860640 -1.0795030 2.6348050 H 3.1068690 -1.4236680 0.2158070 Ag 2.0080030 -0.6252230 -2.6208180 Ag 1.8283720 -1.9308800 -5.0344850 Ag 3.5936200 0.1429930 -4.8128310 Ag 5.3854580 2.2041770 -5.3679200 timestep 461 15 0 0 0.000100 C 0.4514960 0.5241070 -0.1414700 C 0.0927050 0.7664230 1.1925500 C 0.8590100 0.1863970 2.2212500 C 1.9620720 -0.6182060 1.8785510 C 2.2630450 -0.8182300 0.5231500 N 1.5202020 -0.2564220 -0.4740980 H 0.6024800 0.3564900 3.2626590 H -0.1169910 0.9535660 -0.9595870 H -0.7655230 1.3922630 1.4136170 H 2.5780580 -1.0844660 2.6403000 H 3.1042980 -1.4335060 0.2222340 Ag 2.0163280 -0.6335090 -2.6165520 Ag 1.8310710 -1.9335850 -5.0332680 Ag 3.5860070 0.1496050 -4.8150890 Ag 5.3710110 2.2161850 -5.3716360 timestep 481 15 0 0 0.000100 C 0.4567690 0.5270300 -0.1424560 C 0.0961840 0.7706120 1.1909170 C 0.8576480 0.1869320 2.2210490 C 1.9579650 -0.6224600 1.8804060 C 2.2610320 -0.8232580 0.5256930 N 1.5226940 -0.2580010 -0.4730980 H 0.5997440 0.3577070 3.2620020 H -0.1081080 0.9594260 -0.9615450 H -0.7597430 1.4002590 1.4100730 H 2.5702390 -1.0915140 2.6434260 H 3.1003220 -1.4420290 0.2264370 Ag 2.0225540 -0.6370130 -2.6143400 Ag 1.8400270 -1.9413240 -5.0296620 Ag 3.5822640 0.1528400 -4.8179690 Ag 5.3556800 2.2279040 -5.3783200 timestep 501 15 0 0 0.000100 C 0.4593310 0.5274890 -0.1430500 C 0.0978210 0.7723220 1.1898690 C 0.8569940 0.1875730 2.2210340 C 1.9561320 -0.6240810 1.8817500 C 2.2602380 -0.8258440 0.5274600 N 1.5240870 -0.2596870 -0.4723900 H 0.5984520 0.3591600 3.2616900 H -0.1038810 0.9608550 -0.9627870 H -0.7571060 1.4038200 1.4075930 H 2.5667530 -1.0939100 2.6456090 H 3.0987540 -1.4463240 0.2295080 Ag 2.0258710 -0.6395110 -2.6132880 Ag 1.8430600 -1.9433520 -5.0295390 Ag 3.5789760 0.1559540 -4.8195720 Ag 5.3497900 2.2326470 -5.3812750 timestep 521 15 0 0 0.000100 C 0.4638680 0.5296140 -0.1441380 C 0.1016840 0.7767300 1.1881680 C 0.8568060 0.1891430 2.2206750 C 1.9527500 -0.6275940 1.8831380 C 2.2577590 -0.8312240 0.5293360 N 1.5256150 -0.2624280 -0.4718030 H 0.5977320 0.3622850 3.2609360 H -0.0964080 0.9651740 -0.9647340 H -0.7507570 1.4121950 1.4040960 H 2.5602980 -1.0997300 2.6480130 H 3.0939650 -1.4556860 0.2331170 Ag 2.0290030 -0.6439010 -2.6124010 Ag 1.8534590 -1.9518850 -5.0276910 Ag 3.5741650 0.1599140 -4.8209560 Ag 5.3353290 2.2445080 -5.3831450 timestep 541 15 0 0 0.000100 C 0.4651920 0.5293160 -0.1446590 C 0.1031130 0.7781170 1.1873320 C 0.8571200 0.1903310 2.2205570 C 1.9519040 -0.6282940 1.8838700 C 2.2568540 -0.8334750 0.5302530 N 1.5259120 -0.2645860 -0.4715140 H 0.5981610 0.3647490 3.2606290 H -0.0943290 0.9650200 -0.9656960 H -0.7484620 1.4150630 1.4023250 H 2.5586800 -1.1006390 2.6492200 H 3.0922390 -1.4595260 0.2350050 Ag 2.0293590 -0.6463230 -2.6124030 Ag 1.8569150 -1.9538940 -5.0286800 Ag 3.5704710 0.1634120 -4.8210750 Ag 5.3321430 2.2478410 -5.3825540 timestep 561 15 0 0 0.000100 C 0.4698580 0.5297160 -0.1462930 C 0.1076430 0.7827860 1.1848040 C 0.8577180 0.1933450 2.2199850 C 1.9487450 -0.6312870 1.8858930 C 2.2540450 -0.8404620 0.5329000 N 1.5271660 -0.2699670 -0.4706400 H 0.5985950 0.3709780 3.2594680 H -0.0868690 0.9664380 -0.9686880 H -0.7411280 1.4242370 1.3975050 H 2.5524500 -1.1052320 2.6526740 H 3.0865930 -1.4714050 0.2399850 Ag 2.0312830 -0.6527010 -2.6115880 Ag 1.8689670 -1.9617930 -5.0286840 Ag 3.5599480 0.1733080 -4.8214630 Ag 5.3202560 2.2591510 -5.3832450 timestep 581 15 0 0 0.000100 C 0.4646490 0.5258250 -0.1450900 C 0.1035500 0.7778550 1.1864590 C 0.8582370 0.1925390 2.2206900 C 1.9525400 -0.6270480 1.8851650 C 2.2564570 -0.8355410 0.5316820 N 1.5252310 -0.2690640 -0.4708280 H 0.6000320 0.3695920 3.2605010 H -0.0955590 0.9593450 -0.9668050 H -0.7478940 1.4153480 1.4003860 H 2.5598390 -1.0977970 2.6510770 H 3.0914180 -1.4627950 0.2377120 Ag 2.0272950 -0.6484960 -2.6129730 Ag 1.8591600 -1.9517190 -5.0328430 Ag 3.5605320 0.1745620 -4.8200090 Ag 5.3397840 2.2445070 -5.3825130 timestep 601 15 0 0 0.000100 C 0.4640110 0.5257280 -0.1443090 C 0.1036890 0.7782280 1.1872600 C 0.8584600 0.1926220 2.2213830 C 1.9519180 -0.6277960 1.8855830 C 2.2550430 -0.8368650 0.5318670 N 1.5240570 -0.2700490 -0.4703130 H 0.6007610 0.3702130 3.2612290 H -0.0963550 0.9591310 -0.9659580 H -0.7472810 1.4162650 1.4014790 H 2.5592400 -1.0990070 2.6511900 H 3.0892880 -1.4650790 0.2378820 Ag 2.0254890 -0.6460970 -2.6134440 Ag 1.8684590 -1.9554240 -5.0311710 Ag 3.5537840 0.1834760 -4.8199810 Ag 5.3447060 2.2417660 -5.3900860 timestep 621 15 0 0 0.000100 C 0.4556000 0.5198000 -0.1418420 C 0.0966040 0.7699060 1.1905140 C 0.8585180 0.1904870 2.2229380 C 1.9573990 -0.6215830 1.8848340 C 2.2588200 -0.8288960 0.5304200 N 1.5209720 -0.2678930 -0.4700560 H 0.6018810 0.3665500 3.2633130 H -0.1101200 0.9483130 -0.9623700 H -0.7587320 1.4012990 1.4070230 H 2.5701180 -1.0880220 2.6490730 H 3.0969690 -1.4508240 0.2342820 Ag 2.0201080 -0.6381660 -2.6144110 Ag 1.8564370 -1.9395780 -5.0358660 Ag 3.5508980 0.1914120 -4.8184790 Ag 5.3797960 2.2143070 -5.3967620 timestep 641 15 0 0 0.000100 C 0.4523650 0.5195520 -0.1395400 C 0.0940150 0.7677250 1.1933450 C 0.8577080 0.1884510 2.2245680 C 1.9575700 -0.6215830 1.8849140 C 2.2582840 -0.8271750 0.5300590 N 1.5187250 -0.2661250 -0.4692310 H 0.6015310 0.3631920 3.2652840 H -0.1147070 0.9477250 -0.9592960 H -0.7621320 1.3974670 1.4114480 H 2.5715160 -1.0879580 2.6482140 H 3.0970220 -1.4475500 0.2324060 Ag 2.0182110 -0.6324190 -2.6138070 Ag 1.8664400 -1.9402400 -5.0327130 Ag 3.5425480 0.2051750 -4.8191340 Ag 5.3961750 2.2008770 -5.4139050 timestep 661 15 0 0 0.000100 C 0.4440900 0.5175420 -0.1356150 C 0.0869330 0.7606020 1.1986190 C 0.8566510 0.1841530 2.2268840 C 1.9611350 -0.6180030 1.8833860 C 2.2604050 -0.8189030 0.5276160 N 1.5147070 -0.2603690 -0.4689900 H 0.6014430 0.3550810 3.2684780 H -0.1273890 0.9436690 -0.9533670 H -0.7727600 1.3842260 1.4202850 H 2.5795730 -1.0819390 2.6445610 H 3.1024840 -1.4328820 0.2263110 Ag 2.0136130 -0.6233920 -2.6134430 Ag 1.8667260 -1.9316560 -5.0317630 Ag 3.5389400 0.2165270 -4.8190790 Ag 5.4287190 2.1724570 -5.4312700 timestep 681 15 0 0 0.000100 C 0.4436930 0.5214040 -0.1336670 C 0.0865630 0.7616670 1.2011640 C 0.8553750 0.1818110 2.2280930 C 1.9591210 -0.6207710 1.8828400 C 2.2584550 -0.8186280 0.5267620 N 1.5133620 -0.2568210 -0.4687420 H 0.6002220 0.3504020 3.2700810 H -0.1270340 0.9504530 -0.9504260 H -0.7724020 1.3858300 1.4241100 H 2.5768880 -1.0870610 2.6431200 H 3.1000780 -1.4325240 0.2240180 Ag 2.0136390 -0.6224550 -2.6121890 Ag 1.8821380 -1.9396980 -5.0259130 Ag 3.5351960 0.2236200 -4.8208800 Ag 5.4299760 2.1698830 -5.4457590 timestep 701 15 0 0 0.000100 C 0.4374970 0.5173940 -0.1315170 C 0.0810500 0.7551110 1.2040050 C 0.8550410 0.1796840 2.2294680 C 1.9632110 -0.6159820 1.8821540 C 2.2615610 -0.8115580 0.5256090 N 1.5112790 -0.2541230 -0.4685960 H 0.6005790 0.3463050 3.2719420 H -0.1370620 0.9434550 -0.9471660 H -0.7813320 1.3739870 1.4284660 H 2.5850980 -1.0785220 2.6413660 H 3.1066020 -1.4199330 0.2212490 Ag 2.0088870 -0.6201880 -2.6125990 Ag 1.8738990 -1.9270260 -5.0305640 Ag 3.5319710 0.2321260 -4.8201820 Ag 5.4569890 2.1463810 -5.4510230 timestep 721 15 0 0 0.000100 C 0.4407480 0.5198170 -0.1322100 C 0.0840350 0.7588300 1.2030070 C 0.8550710 0.1807010 2.2291580 C 1.9607460 -0.6188390 1.8826810 C 2.2595150 -0.8153870 0.5263730 N 1.5120970 -0.2555030 -0.4684960 H 0.6004090 0.3481610 3.2714430 H -0.1315920 0.9481050 -0.9482610 H -0.7763530 1.3808430 1.4264550 H 2.5804570 -1.0834450 2.6424040 H 3.1028360 -1.4266700 0.2229880 Ag 2.0091250 -0.6251730 -2.6123730 Ag 1.8840680 -1.9354410 -5.0284900 Ag 3.5280890 0.2348920 -4.8205660 Ag 5.4460200 2.1562200 -5.4515030 timestep 741 15 0 0 0.000100 C 0.4404840 0.5188100 -0.1322500 C 0.0833270 0.7576860 1.2028730 C 0.8547680 0.1805070 2.2292420 C 1.9613180 -0.6179480 1.8830170 C 2.2604710 -0.8143880 0.5267800 N 1.5126610 -0.2554930 -0.4683020 H 0.5998100 0.3478350 3.2714750 H -0.1321590 0.9464740 -0.9484210 H -0.7777320 1.3788930 1.4259860 H 2.5814220 -1.0817620 2.6429010 H 3.1045120 -1.4248420 0.2237030 Ag 2.0093550 -0.6252390 -2.6124260 Ag 1.8796360 -1.9320020 -5.0298870 Ag 3.5282060 0.2350000 -4.8206460 Ag 5.4491930 2.1535800 -5.4514320 timestep 761 15 0 0 0.000100 C 0.4412070 0.5190020 -0.1324220 C 0.0836160 0.7579300 1.2025690 C 0.8544770 0.1804760 2.2292220 C 1.9609150 -0.6182890 1.8833590 C 2.2605100 -0.8147520 0.5272120 N 1.5132780 -0.2556390 -0.4681250 H 0.5991860 0.3478180 3.2713690 H -0.1309980 0.9469010 -0.9487770 H -0.7773450 1.3794060 1.4253120 H 2.5806150 -1.0823120 2.6434430 H 3.1045070 -1.4254570 0.2245030 Ag 2.0101000 -0.6253790 -2.6123500 Ag 1.8792510 -1.9321640 -5.0296190 Ag 3.5282570 0.2346990 -4.8208530 Ag 5.4476930 2.1548710 -5.4522290 timestep 781 15 0 0 0.000100 C 0.4429330 0.5199660 -0.1328550 C 0.0846480 0.7591110 1.2019100 C 0.8540500 0.1805680 2.2290420 C 1.9597920 -0.6194510 1.8838490 C 2.2601370 -0.8160560 0.5278810 N 1.5143200 -0.2559180 -0.4679110 H 0.5982010 0.3480300 3.2710320 H -0.1281640 0.9486960 -0.9495510 H -0.7757370 1.3815920 1.4240770 H 2.5783980 -1.0843220 2.6443030 H 3.1036480 -1.4277150 0.2257320 Ag 2.0118080 -0.6259590 -2.6120010 Ag 1.8801770 -1.9341420 -5.0284450 Ag 3.5288500 0.2332430 -4.8212610 Ag 5.4422080 2.1594690 -5.4531900 timestep 801 15 0 0 0.000100 C 0.4417760 0.5191680 -0.1324140 C 0.0836030 0.7578640 1.2024600 C 0.8539440 0.1801380 2.2293510 C 1.9604750 -0.6186380 1.8838240 C 2.2606530 -0.8148740 0.5277630 N 1.5139280 -0.2555190 -0.4677900 H 0.5981930 0.3472800 3.2714180 H -0.1300300 0.9472770 -0.9489390 H -0.7774100 1.3793730 1.4249150 H 2.5798070 -1.0828600 2.6440850 H 3.1047470 -1.4255870 0.2253330 Ag 2.0109670 -0.6248700 -2.6120920 Ag 1.8791110 -1.9318010 -5.0290680 Ag 3.5279860 0.2353650 -4.8209830 Ag 5.4475210 2.1547960 -5.4552520 timestep 821 15 0 0 0.000100 C 0.4426320 0.5197600 -0.1325120 C 0.0840670 0.7584590 1.2022560 C 0.8536070 0.1800460 2.2293630 C 1.9597580 -0.6193900 1.8841550 C 2.2603610 -0.8156010 0.5281800 N 1.5144040 -0.2555890 -0.4675750 H 0.5975330 0.3471740 3.2713530 H -0.1285570 0.9483780 -0.9492010 H -0.7766260 1.3804970 1.4244740 H 2.5784770 -1.0841500 2.6445870 H 3.1041820 -1.4268020 0.2259800 Ag 2.0117740 -0.6249020 -2.6118050 Ag 1.8806060 -1.9329540 -5.0281780 Ag 3.5278920 0.2355450 -4.8209750 Ag 5.4451600 2.1566410 -5.4574900 timestep 841 15 0 0 0.000100 C 0.4424970 0.5197990 -0.1321070 C 0.0834050 0.7577650 1.2026510 C 0.8528850 0.1792570 2.2297510 C 1.9595190 -0.6195100 1.8845630 C 2.2606370 -0.8150280 0.5285950 N 1.5147140 -0.2549410 -0.4671450 H 0.5963900 0.3458180 3.2717280 H -0.1286140 0.9485050 -0.9488020 H -0.7776310 1.3793230 1.4248870 H 2.5782160 -1.0843110 2.6449880 H 3.1048440 -1.4256790 0.2263720 Ag 2.0123200 -0.6234570 -2.6114490 Ag 1.8803780 -1.9313410 -5.0277160 Ag 3.5284300 0.2366140 -4.8204430 Ag 5.4472760 2.1542980 -5.4632600 timestep 861 15 0 0 0.000100 C 0.4444570 0.5216490 -0.1322760 C 0.0847030 0.7595760 1.2023130 C 0.8522650 0.1791090 2.2297430 C 1.9577220 -0.6215010 1.8850510 C 2.2595960 -0.8168690 0.5292290 N 1.5155100 -0.2549000 -0.4668300 H 0.5952090 0.3455870 3.2715950 H -0.1251810 0.9518380 -0.9492180 H -0.7753670 1.3826080 1.4241630 H 2.5749470 -1.0878210 2.6457420 H 3.1029540 -1.4288770 0.2273820 Ag 2.0141470 -0.6239310 -2.6107920 Ag 1.8848420 -1.9350780 -5.0254490 Ag 3.5294160 0.2356770 -4.8203560 Ag 5.4400490 2.1600450 -5.4676840 timestep 881 15 0 0 0.000100 C 0.4444220 0.5224650 -0.1314920 C 0.0839380 0.7590790 1.2031390 C 0.8510800 0.1777850 2.2304130 C 1.9568960 -0.6222600 1.8855650 C 2.2595070 -0.8163230 0.5297210 N 1.5157660 -0.2535850 -0.4661920 H 0.5934260 0.3432290 3.2722830 H -0.1248290 0.9533440 -0.9483390 H -0.7763440 1.3817560 1.4251670 H 2.5738360 -1.0891420 2.6461430 H 3.1031850 -1.4277960 0.2276940 Ag 2.0150440 -0.6222190 -2.6100210 Ag 1.8862220 -1.9335420 -5.0243520 Ag 3.5322820 0.2359770 -4.8187980 Ag 5.4408380 2.1583450 -5.4783200 timestep 901 15 0 0 0.000100 C 0.4449560 0.5230890 -0.1314720 C 0.0844770 0.7599200 1.2031230 C 0.8509890 0.1779170 2.2304680 C 1.9561880 -0.6230310 1.8857390 C 2.2588360 -0.8172690 0.5299320 N 1.5156940 -0.2538360 -0.4660550 H 0.5933150 0.3435160 3.2723090 H -0.1238010 0.9545020 -0.9483810 H -0.7753090 1.3833010 1.4250890 H 2.5726290 -1.0904650 2.6463830 H 3.1020570 -1.4294000 0.2279680 Ag 2.0150410 -0.6232660 -2.6096790 Ag 1.8888180 -1.9345240 -5.0241240 Ag 3.5335050 0.2358620 -4.8174930 Ag 5.4378760 2.1607960 -5.4811950 timestep 921 15 0 0 0.000100 C 0.4431680 0.5217650 -0.1308840 C 0.0832980 0.7587090 1.2038590 C 0.8511240 0.1779130 2.2309070 C 1.9569610 -0.6219860 1.8857960 C 2.2589560 -0.8164290 0.5298830 N 1.5145120 -0.2541200 -0.4658340 H 0.5939280 0.3436620 3.2728440 H -0.1265430 0.9522610 -0.9476110 H -0.7769940 1.3812370 1.4262540 H 2.5743750 -1.0884720 2.6462360 H 3.1026200 -1.4277290 0.2275030 Ag 2.0132100 -0.6239690 -2.6093780 Ag 1.8870090 -1.9290480 -5.0270670 Ag 3.5374660 0.2361260 -4.8134570 Ag 5.4421800 2.1571920 -5.4864370 timestep 941 15 0 0 0.000100 C 0.4450750 0.5223130 -0.1315280 C 0.0855620 0.7615460 1.2028910 C 0.8515340 0.1796120 2.2306870 C 1.9551870 -0.6237290 1.8865890 C 2.2569550 -0.8202900 0.5309290 N 1.5143710 -0.2568440 -0.4655070 H 0.5945920 0.3471120 3.2724060 H -0.1232790 0.9535810 -0.9487970 H -0.7730600 1.3866660 1.4244620 H 2.5711210 -1.0912130 2.6476160 H 3.0989530 -1.4343000 0.2293830 Ag 2.0136640 -0.6282550 -2.6086480 Ag 1.8921800 -1.9308960 -5.0282970 Ag 3.5404090 0.2352800 -4.8099690 Ag 5.4320070 2.1665300 -5.4896070 timestep 961 15 0 0 0.000100 C 0.4442270 0.5211220 -0.1312590 C 0.0852630 0.7612860 1.2031340 C 0.8517300 0.1801750 2.2310300 C 1.9552800 -0.6233420 1.8870230 C 2.2564900 -0.8208240 0.5313720 N 1.5134770 -0.2581600 -0.4651580 H 0.5952450 0.3484280 3.2727400 H -0.1245420 0.9517320 -0.9485880 H -0.7733300 1.3864840 1.4245980 H 2.5715680 -1.0902510 2.6481140 H 3.0983710 -1.4350590 0.2299460 Ag 2.0129100 -0.6291820 -2.6083830 Ag 1.8915660 -1.9268480 -5.0309110 Ag 3.5441950 0.2352430 -4.8064870 Ag 5.4328200 2.1663090 -5.4945600 timestep 981 15 0 0 0.000100 C 0.4433890 0.5204810 -0.1311570 C 0.0846750 0.7604750 1.2033360 C 0.8519730 0.1801110 2.2310300 C 1.9560730 -0.6225280 1.8867170 C 2.2569860 -0.8198830 0.5309850 N 1.5131840 -0.2579280 -0.4653510 H 0.5957120 0.3482430 3.2728140 H -0.1260380 0.9505290 -0.9483240 H -0.7743710 1.3849770 1.4250060 H 2.5729980 -1.0888600 2.6476450 H 3.0992600 -1.4334770 0.2293470 Ag 2.0123800 -0.6284200 -2.6087560 Ag 1.8899380 -1.9260980 -5.0312510 Ag 3.5427130 0.2359950 -4.8075460 Ag 5.4363980 2.1634940 -5.4918820 timestep 1001 15 0 0 0.000100 C 0.4433890 0.5204810 -0.1311570 C 0.0846750 0.7604750 1.2033360 C 0.8519730 0.1801110 2.2310300 C 1.9560730 -0.6225280 1.8867170 C 2.2569860 -0.8198830 0.5309850 N 1.5131840 -0.2579280 -0.4653510 H 0.5957120 0.3482430 3.2728140 H -0.1260380 0.9505290 -0.9483240 H -0.7743710 1.3849770 1.4250060 H 2.5729980 -1.0888600 2.6476450 H 3.0992600 -1.4334770 0.2293470 Ag 2.0123800 -0.6284200 -2.6087560 Ag 1.8899380 -1.9260980 -5.0312510 Ag 3.5427130 0.2359950 -4.8075460 Ag 5.4363980 2.1634940 -5.4918820 timestep 1021 15 0 0 0.000100 C 0.4433890 0.5204810 -0.1311570 C 0.0846750 0.7604750 1.2033360 C 0.8519730 0.1801110 2.2310300 C 1.9560730 -0.6225280 1.8867170 C 2.2569860 -0.8198830 0.5309850 N 1.5131840 -0.2579280 -0.4653510 H 0.5957120 0.3482430 3.2728140 H -0.1260380 0.9505290 -0.9483240 H -0.7743710 1.3849770 1.4250060 H 2.5729980 -1.0888600 2.6476450 H 3.0992600 -1.4334770 0.2293470 Ag 2.0123800 -0.6284200 -2.6087560 Ag 1.8899380 -1.9260980 -5.0312510 Ag 3.5427130 0.2359950 -4.8075460 Ag 5.4363980 2.1634940 -5.4918820