pyridine4Hm1.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 0.4918750 -0.0169860 -0.4345540 C 0.1517590 -0.0195780 0.9202850 C 1.1957560 0.0010650 1.9217240 C 2.5581660 0.0238980 1.4352010 C 2.8019850 0.0254410 0.0597110 N 1.8011790 0.0052820 -0.9083300 H 0.9676270 -0.0006230 2.9884790 H -0.2855770 -0.0325010 -1.2024810 H -0.9018220 -0.0375050 1.2066040 H 3.4023740 0.0402850 2.1275460 H 3.8255880 0.0424560 -0.3228820 H 0.9932280 0.0342380 -3.5218880 H 0.5028840 0.0371450 -4.0873330 H 3.5891890 -0.0367350 -2.9722940 H 4.2627410 -0.0424970 -3.2988000 timestep 41 15 0 0 0.000100 C 0.4979060 -0.0174060 -0.4302320 C 0.1590730 -0.0199750 0.9183720 C 1.1925890 0.0011330 1.9365290 C 2.5522800 0.0242980 1.4304950 C 2.7948390 0.0257000 0.0612870 N 1.8074740 0.0052190 -0.9373360 H 0.9648360 -0.0004650 3.0013570 H -0.2824090 -0.0334420 -1.1956020 H -0.8968320 -0.0383210 1.2026390 H 3.3994450 0.0411480 2.1219170 H 3.8200220 0.0430030 -0.3177590 H 1.0337330 0.0348350 -3.5084480 H 0.5519690 0.0376290 -4.0822530 H 3.5465380 -0.0371670 -2.9761900 H 4.2154890 -0.0428060 -3.3137870 timestep 61 15 0 0 0.000100 C 0.4978820 -0.0177280 -0.4345910 C 0.1621060 -0.0204020 0.9138700 C 1.1936940 0.0011570 1.9313660 C 2.5513460 0.0247040 1.4251630 C 2.7966510 0.0258390 0.0573400 N 1.8096800 0.0051030 -0.9476220 H 0.9661770 -0.0003720 2.9950750 H -0.2853060 -0.0338380 -1.1973540 H -0.8937940 -0.0390050 1.1977860 H 3.3986360 0.0418860 2.1162860 H 3.8233900 0.0432990 -0.3181340 H 1.0505230 0.0352770 -3.4879620 H 0.5748950 0.0381110 -4.0670840 H 3.5228190 -0.0374900 -2.9641340 H 4.1882540 -0.0431580 -3.3090160 timestep 81 15 0 0 0.000100 C 0.4999400 -0.0187620 -0.4526460 C 0.1699870 -0.0216190 0.8970000 C 1.1980770 0.0012270 1.9107620 C 2.5509850 0.0258950 1.4065520 C 2.8021370 0.0263400 0.0400340 N 1.8156070 0.0047320 -0.9754250 H 0.9707890 -0.0001250 2.9733900 H -0.2886330 -0.0354070 -1.2096070 H -0.8859870 -0.0410180 1.1803220 H 3.3985520 0.0440920 2.0972050 H 3.8314160 0.0444620 -0.3279240 H 1.0997550 0.0366500 -3.4148160 H 0.6444620 0.0398490 -4.0112570 H 3.4480930 -0.0384650 -2.9169480 H 4.1017740 -0.0444670 -3.2856530 timestep 101 15 0 0 0.000100 C 0.5022030 -0.0195800 -0.4683320 C 0.1740060 -0.0223990 0.8818080 C 1.2017600 0.0012950 1.8933770 C 2.5534310 0.0266550 1.3909850 C 2.8063570 0.0267810 0.0247250 N 1.8189410 0.0044490 -0.9914560 H 0.9745200 0.0000670 2.9558930 H -0.2881810 -0.0368370 -1.2231690 H -0.8818730 -0.0423290 1.1649100 H 3.4010200 0.0455330 2.0813750 H 3.8364110 0.0455090 -0.3405640 H 1.1282530 0.0376460 -3.3564940 H 0.6880780 0.0414630 -3.9655350 H 3.3985720 -0.0391420 -2.8752220 H 4.0434550 -0.0457290 -3.2613120 timestep 121 15 0 0 0.000100 C 0.5055400 -0.0204710 -0.4860860 C 0.1761090 -0.0230990 0.8644890 C 1.2056550 0.0013870 1.8749460 C 2.5584340 0.0273630 1.3741200 C 2.8102460 0.0273240 0.0069220 N 1.8210410 0.0041640 -1.0024210 H 0.9783570 0.0002580 2.9381050 H -0.2843770 -0.0386620 -1.2410570 H -0.8794350 -0.0435640 1.1480970 H 3.4056100 0.0468870 2.0647120 H 3.8399050 0.0468230 -0.3587660 H 1.1431660 0.0389220 -3.2969500 H 0.7174580 0.0438670 -3.9181400 H 3.3613170 -0.0400760 -2.8271700 H 3.9979270 -0.0477390 -3.2298120 timestep 141 15 0 0 0.000100 C 0.5080650 -0.0210150 -0.4949020 C 0.1758730 -0.0234360 0.8555940 C 1.2074020 0.0014630 1.8667100 C 2.5621690 0.0277140 1.3658340 C 2.8111740 0.0276940 -0.0024700 N 1.8211240 0.0040060 -1.0041720 H 0.9800480 0.0003830 2.9306260 H -0.2800440 -0.0398010 -1.2515380 H -0.8794390 -0.0441850 1.1398190 H 3.4090230 0.0475630 2.0567180 H 3.8398190 0.0475740 -0.3705780 H 1.1372280 0.0400570 -3.2709290 H 0.7176920 0.0457990 -3.8974550 H 3.3567730 -0.0410250 -2.8013300 H 3.9900460 -0.0494060 -3.2109400 timestep 161 15 0 0 0.000100 C 0.5092800 -0.0213760 -0.4971630 C 0.1752640 -0.0236410 0.8530610 C 1.2076940 0.0015160 1.8654100 C 2.5636940 0.0279330 1.3634990 C 2.8106440 0.0279570 -0.0053540 N 1.8207510 0.0039100 -1.0037350 H 0.9803740 0.0004650 2.9296840 H -0.2774090 -0.0403830 -1.2552740 H -0.8799990 -0.0445530 1.1375990 H 3.4105210 0.0479650 2.0544680 H 3.8385310 0.0479030 -0.3755890 H 1.1260090 0.0410960 -3.2656600 H 0.7087380 0.0471740 -3.8938770 H 3.3653980 -0.0419880 -2.7921950 H 3.9974650 -0.0505970 -3.2038860 timestep 181 15 0 0 0.000100 C 0.5098530 -0.0218450 -0.4980850 C 0.1749210 -0.0239730 0.8518360 C 1.2077810 0.0015730 1.8651650 C 2.5644480 0.0282770 1.3621660 C 2.8100590 0.0282890 -0.0068520 N 1.8204600 0.0037840 -1.0040680 H 0.9805810 0.0005700 2.9295620 H -0.2758590 -0.0410610 -1.2572730 H -0.8803170 -0.0451230 1.1366020 H 3.4113480 0.0485920 2.0530980 H 3.8373960 0.0483150 -0.3787530 H 1.1134800 0.0425360 -3.2637000 H 0.6990800 0.0489340 -3.8937020 H 3.3766550 -0.0433570 -2.7855140 H 4.0070690 -0.0521270 -3.1994950 timestep 201 15 0 0 0.000100 C 0.5099170 -0.0226290 -0.4981430 C 0.1747500 -0.0246140 0.8515050 C 1.2077720 0.0016550 1.8655380 C 2.5646680 0.0289310 1.3613680 C 2.8093380 0.0288330 -0.0076030 N 1.8201020 0.0035760 -1.0050850 H 0.9808100 0.0007390 2.9299330 H -0.2750870 -0.0422140 -1.2581500 H -0.8804470 -0.0462070 1.1365440 H 3.4117240 0.0497800 2.0521520 H 3.8361960 0.0490830 -0.3810120 H 1.0960350 0.0450250 -3.2639180 H 0.6864650 0.0519340 -3.8967840 H 3.3935670 -0.0457530 -2.7788070 H 4.0211440 -0.0547570 -3.1965490 timestep 221 15 0 0 0.000100 C 0.5092560 -0.0235450 -0.4969620 C 0.1748840 -0.0254440 0.8526330 C 1.2076510 0.0017370 1.8665300 C 2.5640390 0.0297710 1.3617540 C 2.8087650 0.0294710 -0.0069540 N 1.8197720 0.0033480 -1.0063220 H 0.9809710 0.0009240 2.9307880 H -0.2758420 -0.0436200 -1.2569220 H -0.8802760 -0.0476060 1.1378370 H 3.4113150 0.0513020 2.0522780 H 3.8355030 0.0501120 -0.3807900 H 1.0811670 0.0479340 -3.2668370 H 0.6772540 0.0554600 -3.9029760 H 3.4091500 -0.0485800 -2.7754500 H 4.0333450 -0.0578810 -3.1976170 timestep 241 15 0 0 0.000100 C 0.5084150 -0.0244290 -0.4957920 C 0.1752160 -0.0262870 0.8539790 C 1.2076130 0.0018000 1.8670810 C 2.5631740 0.0306200 1.3624170 C 2.8085640 0.0301110 -0.0060550 N 1.8195590 0.0031610 -1.0073500 H 0.9811510 0.0010780 2.9312110 H -0.2773570 -0.0450800 -1.2550310 H -0.8799140 -0.0490470 1.1392060 H 3.4106500 0.0528470 2.0526560 H 3.8354820 0.0512810 -0.3793410 H 1.0747610 0.0505300 -3.2685280 H 0.6765320 0.0587660 -3.9080610 H 3.4161790 -0.0510990 -2.7742460 H 4.0369280 -0.0608680 -3.2011570 timestep 261 15 0 0 0.000100 C 0.5077300 -0.0253380 -0.4949500 C 0.1754870 -0.0271690 0.8550650 C 1.2076340 0.0018530 1.8672960 C 2.5624910 0.0315050 1.3629970 C 2.8085200 0.0308130 -0.0053650 N 1.8193640 0.0030100 -1.0078360 H 0.9813200 0.0012100 2.9313700 H -0.2787960 -0.0466740 -1.2533490 H -0.8796180 -0.0505830 1.1402490 H 3.4101300 0.0544630 2.0529770 H 3.8356790 0.0526300 -0.3778570 H 1.0747660 0.0529640 -3.2683420 H 0.6824050 0.0620550 -3.9114760 H 3.4163480 -0.0534450 -2.7738640 H 4.0334930 -0.0639110 -3.2059250 timestep 281 15 0 0 0.000100 C 0.5070080 -0.0266360 -0.4938980 C 0.1756090 -0.0284370 0.8564060 C 1.2076240 0.0019200 1.8676970 C 2.5618540 0.0327780 1.3638680 C 2.8084370 0.0318630 -0.0044730 N 1.8190120 0.0028320 -1.0075760 H 0.9814490 0.0013730 2.9317690 H -0.2803370 -0.0490150 -1.2513620 H -0.8794550 -0.0528170 1.1415430 H 3.4096450 0.0567860 2.0535790 H 3.8358570 0.0546650 -0.3760610 H 1.0790120 0.0563000 -3.2673270 H 0.6946040 0.0666870 -3.9153140 H 3.4122190 -0.0566520 -2.7743640 H 4.0244160 -0.0682640 -3.2134970 timestep 301 15 0 0 0.000100 C 0.5064080 -0.0282180 -0.4925980 C 0.1754170 -0.0299860 0.8579480 C 1.2075100 0.0019940 1.8685560 C 2.5614290 0.0343340 1.3651040 C 2.8082140 0.0331950 -0.0033400 N 1.8184730 0.0026490 -1.0061650 H 0.9814350 0.0015450 2.9326970 H -0.2815320 -0.0519130 -1.2493570 H -0.8795860 -0.0555660 1.1430930 H 3.4093010 0.0596230 2.0546240 H 3.8358010 0.0572320 -0.3742780 H 1.0865610 0.0603220 -3.2663220 H 0.7109710 0.0723080 -3.9195740 H 3.4049590 -0.0605250 -2.7762250 H 4.0115920 -0.0736110 -3.2231730 timestep 321 15 0 0 0.000100 C 0.5060230 -0.0298130 -0.4909340 C 0.1748680 -0.0315440 0.8596990 C 1.2072100 0.0020600 1.8701800 C 2.5612420 0.0359030 1.3667660 C 2.8077450 0.0345880 -0.0018530 N 1.8177940 0.0024930 -1.0036630 H 0.9811840 0.0016910 2.9344280 H -0.2820480 -0.0548450 -1.2475030 H -0.8800670 -0.0583500 1.1449350 H 3.4091020 0.0624810 2.0562350 H 3.8353220 0.0598700 -0.3727100 H 1.0938360 0.0644910 -3.2670890 H 0.7257140 0.0780280 -3.9246300 H 3.3985890 -0.0645600 -2.7797180 H 4.0004400 -0.0791080 -3.2331540 timestep 341 15 0 0 0.000100 C 0.5058620 -0.0311090 -0.4891740 C 0.1741860 -0.0328140 0.8613690 C 1.2067840 0.0021080 1.8722620 C 2.5611910 0.0371830 1.3685010 C 2.8071170 0.0357560 -0.0002610 N 1.8171740 0.0023830 -1.0010240 H 0.9807680 0.0017890 2.9365890 H -0.2819080 -0.0572100 -1.2460580 H -0.8806970 -0.0606270 1.1467510 H 3.4089780 0.0648110 2.0580390 H 3.8345290 0.0620270 -0.3715800 H 1.0972010 0.0681310 -3.2699930 H 0.7334090 0.0828320 -3.9298590 H 3.3966610 -0.0681120 -2.7837750 H 3.9956990 -0.0837640 -3.2407970 timestep 361 15 0 0 0.000100 C 0.5057850 -0.0320520 -0.4876430 C 0.1736750 -0.0337430 0.8627380 C 1.2063680 0.0021380 1.8741820 C 2.5610900 0.0381210 1.3699530 C 2.8065560 0.0366300 0.0011630 N 1.8167820 0.0023150 -0.9991930 H 0.9803500 0.0018450 2.9385160 H -0.2815800 -0.0588750 -1.2449830 H -0.8811820 -0.0622870 1.1482420 H 3.4088010 0.0665090 2.0595920 H 3.8337870 0.0635670 -0.3707300 H 1.0966780 0.0710280 -3.2738690 H 0.7343390 0.0864750 -3.9343580 H 3.3987180 -0.0709680 -2.7872960 H 3.9967860 -0.0873190 -3.2453240 timestep 381 15 0 0 0.000100 C 0.5057410 -0.0327780 -0.4868080 C 0.1734860 -0.0344620 0.8634620 C 1.2061290 0.0021570 1.8752200 C 2.5609500 0.0388470 1.3707240 C 2.8062820 0.0373100 0.0019830 N 1.8166690 0.0022700 -0.9985140 H 0.9801010 0.0018800 2.9395150 H -0.2813920 -0.0601140 -1.2444160 H -0.8813570 -0.0635630 1.1490200 H 3.4086050 0.0678130 2.0604330 H 3.8334260 0.0647320 -0.3702070 H 1.0954430 0.0733160 -3.2762510 H 0.7333120 0.0892950 -3.9367130 H 3.4008250 -0.0732360 -2.7892140 H 3.9987330 -0.0900830 -3.2472440 timestep 401 15 0 0 0.000100 C 0.5057350 -0.0339160 -0.4861690 C 0.1733750 -0.0356050 0.8640040 C 1.2059290 0.0021850 1.8760080 C 2.5608050 0.0400000 1.3713390 C 2.8060940 0.0383770 0.0026600 N 1.8166370 0.0022080 -0.9980250 H 0.9798720 0.0019320 2.9402580 H -0.2811800 -0.0620840 -1.2440090 H -0.8814460 -0.0655930 1.1496020 H 3.4083750 0.0698830 2.0611320 H 3.8331630 0.0665930 -0.3697510 H 1.0946050 0.0768380 -3.2779200 H 0.7327960 0.0936920 -3.9384380 H 3.4022590 -0.0767250 -2.7907720 H 3.9999330 -0.0944010 -3.2489300 timestep 421 15 0 0 0.000100 C 0.5057930 -0.0371510 -0.4849890 C 0.1732390 -0.0388730 0.8649970 C 1.2055310 0.0022620 1.8774470 C 2.5604560 0.0432940 1.3725350 C 2.8057740 0.0414200 0.0039960 N 1.8166770 0.0020450 -0.9971550 H 0.9793810 0.0020710 2.9415960 H -0.2806620 -0.0677220 -1.2432770 H -0.8815130 -0.0714050 1.1506500 H 3.4078000 0.0757980 2.0625200 H 3.8326960 0.0719440 -0.3687750 H 1.0932150 0.0868160 -3.2808300 H 0.7321470 0.1061930 -3.9415040 H 3.4046400 -0.0866140 -2.7938660 H 4.0017780 -0.1066950 -3.2523560 timestep 441 15 0 0 0.000100 C 0.5060930 -0.0453580 -0.4829320 C 0.1731840 -0.0472010 0.8667150 C 1.2047840 0.0024440 1.8799010 C 2.5596500 0.0516830 1.3747160 C 2.8052210 0.0491750 0.0064640 N 1.8169400 0.0016740 -0.9956820 H 0.9783920 0.0023950 2.9438400 H -0.2794300 -0.0820570 -1.2420240 H -0.8813650 -0.0862130 1.1524200 H 3.4064320 0.0908350 2.0650940 H 3.8318440 0.0856100 -0.3668340 H 1.0919450 0.1119720 -3.2851280 H 0.7331250 0.1378200 -3.9465010 H 3.4072970 -0.1115650 -2.7996290 H 4.0028410 -0.1378330 -3.2594310 timestep 461 15 0 0 0.000100 C 0.5088160 -0.0786940 -0.4769610 C 0.1742050 -0.0813310 0.8714380 C 1.2023600 0.0030300 1.8870180 C 2.5561810 0.0860110 1.3809850 C 2.8026090 0.0811600 0.0136770 N 1.8185100 0.0006390 -0.9919670 H 0.9749630 0.0033640 2.9502250 H -0.2726060 -0.1398320 -1.2390600 H -0.8791140 -0.1466780 1.1572140 H 3.4003710 0.1519670 2.0726350 H 3.8276370 0.1413640 -0.3616840 H 1.0887480 0.2139730 -3.2950840 H 0.7394810 0.2664580 -3.9590440 H 3.4131110 -0.2130930 -2.8166080 H 4.0016800 -0.2649540 -3.2817950 timestep 481 15 0 0 0.000100 C 0.5119630 -0.1024540 -0.4740160 C 0.1760440 -0.1058870 0.8735280 C 1.2009620 0.0032990 1.8904540 C 2.5532290 0.1106640 1.3839280 C 2.8003120 0.1044200 0.0172410 N 1.8201150 0.0003320 -0.9910680 H 0.9728060 0.0037220 2.9531570 H -0.2662290 -0.1803800 -1.2381070 H -0.8760010 -0.1900130 1.1592420 H 3.3952060 0.1955430 2.0762780 H 3.8239000 0.1811480 -0.3595110 H 1.0870420 0.2864230 -3.2985570 H 0.7433570 0.3580100 -3.9630870 H 3.4150640 -0.2855500 -2.8254680 H 3.9991820 -0.3558940 -3.2930240 timestep 501 15 0 0 0.000100 C 0.5169340 -0.1307590 -0.4720550 C 0.1794690 -0.1353340 0.8744890 C 1.1996790 0.0034540 1.8926710 C 2.5492360 0.1401810 1.3856780 C 2.7972560 0.1326260 0.0197430 N 1.8225960 0.0004040 -0.9920010 H 0.9705700 0.0037980 2.9547680 H -0.2572540 -0.2283440 -1.2382030 H -0.8706060 -0.2419440 1.1600550 H 3.3881240 0.2475240 2.0787050 H 3.8188970 0.2289220 -0.3583320 H 1.0859910 0.3727640 -3.2986620 H 0.7471930 0.4672490 -3.9622950 H 3.4146080 -0.3722520 -2.8325580 H 3.9942600 -0.4649040 -3.3010130 timestep 521 15 0 0 0.000100 C 0.5198560 -0.1454290 -0.4721330 C 0.1817760 -0.1506040 0.8739750 C 1.1992670 0.0034500 1.8925670 C 2.5471120 0.1554740 1.3855850 C 2.7959450 0.1474920 0.0200640 N 1.8241820 0.0006540 -0.9933320 H 0.9696130 0.0036640 2.9543480 H -0.2523500 -0.2533000 -1.2390140 H -0.8670550 -0.2690470 1.1594400 H 3.3841370 0.2745470 2.0789470 H 3.8165550 0.2541400 -0.3582580 H 1.0875830 0.4171410 -3.2960050 H 0.7500440 0.5234460 -3.9583200 H 3.4111330 -0.4169920 -2.8345360 H 3.9891550 -0.5212540 -3.3023370 timestep 541 15 0 0 0.000100 C 0.5306730 -0.1883810 -0.4769160 C 0.1910740 -0.1951570 0.8680780 C 1.1991750 0.0031220 1.8870380 C 2.5404860 0.2000140 1.3807900 C 2.7924070 0.1919650 0.0165220 N 1.8303160 0.0022610 -1.0023250 H 0.9677570 0.0025920 2.9479010 H -0.2361140 -0.3271180 -1.2445270 H -0.8532810 -0.3487180 1.1530500 H 3.3711620 0.3534630 2.0749660 H 3.8098310 0.3301250 -0.3607260 H 1.0966250 0.5476100 -3.2774170 H 0.7566250 0.6882820 -3.9319330 H 3.3917340 -0.5490810 -2.8315650 H 3.9684830 -0.6875980 -3.2919470 timestep 561 15 0 0 0.000100 C 0.5392850 -0.2176320 -0.4845760 C 0.1993030 -0.2252530 0.8600060 C 1.2002310 0.0025780 1.8783010 C 2.5360660 0.2300230 1.3735280 C 2.7911040 0.2230890 0.0101320 N 1.8355050 0.0041180 -1.0117220 H 0.9674790 0.0012090 2.9385860 H -0.2244620 -0.3791490 -1.2508830 H -0.8411310 -0.4035490 1.1445330 H 3.3615010 0.4072730 2.0681270 H 3.8061930 0.3849670 -0.3642060 H 1.1111010 0.6348420 -3.2542760 H 0.7650500 0.7981070 -3.9007510 H 3.3657310 -0.6378500 -2.8221130 H 3.9439980 -0.7993920 -3.2736960 timestep 581 15 0 0 0.000100 C 0.5541100 -0.2672050 -0.5009530 C 0.2142620 -0.2766050 0.8441580 C 1.2032830 0.0012510 1.8597060 C 2.5290130 0.2808950 1.3585670 C 2.7898240 0.2760810 -0.0042030 N 1.8430540 0.0075190 -1.0244730 H 0.9683800 -0.0016510 2.9197260 H -0.2045630 -0.4738680 -1.2613280 H -0.8175110 -0.4989200 1.1284110 H 3.3438910 0.5001630 2.0532930 H 3.7990160 0.4850320 -0.3708120 H 1.1612620 0.7726670 -3.2029770 H 0.8171140 0.9752610 -3.8410930 H 3.2919900 -0.7778320 -2.8003400 H 3.8638260 -0.9794040 -3.2466940 timestep 601 15 0 0 0.000100 C 0.6177090 -0.3832620 -0.5482890 C 0.2684790 -0.4040770 0.7963020 C 1.2131670 -0.0026150 1.8054840 C 2.4996890 0.4063860 1.3058460 C 2.7632850 0.4015940 -0.0582930 N 1.8660080 0.0165120 -1.0822620 H 0.9736460 -0.0098560 2.8656630 H -0.1135640 -0.6807620 -1.3043470 H -0.7363620 -0.7274510 1.0790660 H 3.2849020 0.7216210 1.9974010 H 3.7482250 0.7057620 -0.4219940 H 1.2300100 1.1205810 -3.0481660 H 0.9093800 1.4361310 -3.6555560 H 3.1484900 -1.1309780 -2.6945750 H 3.6838880 -1.4462020 -3.1252900 timestep 621 15 0 0 0.000100 C 0.6092390 -0.4001320 -0.5445570 C 0.2657130 -0.4189270 0.8028030 C 1.2132760 -0.0031430 1.8081510 C 2.5000280 0.4197520 1.3112690 C 2.7681220 0.4164310 -0.0532470 N 1.8580510 0.0153480 -1.0550960 H 0.9743120 -0.0098320 2.8692880 H -0.1183430 -0.7234790 -1.2934990 H -0.7328040 -0.7582310 1.0881370 H 3.2795570 0.7505830 2.0015000 H 3.7459540 0.7464640 -0.4134360 H 1.2874740 1.1151020 -3.0517150 H 1.0022530 1.4379200 -3.6742420 H 3.0970900 -1.1212610 -2.7133010 H 3.6070310 -1.4432110 -3.1710660 timestep 641 15 0 0 0.000100 C 0.6115680 -0.4114620 -0.5375580 C 0.2681330 -0.4324990 0.8102770 C 1.2120390 -0.0032110 1.8151880 C 2.4944530 0.4324280 1.3145890 C 2.7606310 0.4256410 -0.0507960 N 1.8545620 0.0136020 -1.0488450 H 0.9739570 -0.0092900 2.8769760 H -0.1111370 -0.7417560 -1.2877590 H -0.7274420 -0.7805430 1.0965120 H 3.2722540 0.7726480 2.0027130 H 3.7340460 0.7620180 -0.4161480 H 1.2976600 1.1301830 -3.0565040 H 1.0527880 1.4686550 -3.6876440 H 3.0925290 -1.1332500 -2.7198320 H 3.5709120 -1.4697820 -3.2001800 timestep 661 15 0 0 0.000100 C 0.6318660 -0.4636610 -0.5311480 C 0.2872620 -0.4887010 0.8175290 C 1.2127040 -0.0051820 1.8170350 C 2.4742280 0.4854640 1.3104610 C 2.7359070 0.4757540 -0.0570200 N 1.8501110 0.0117830 -1.0429270 H 0.9760130 -0.0113100 2.8801980 H -0.0710800 -0.8302810 -1.2822940 H -0.6919370 -0.8783100 1.1076730 H 3.2374550 0.8675960 1.9933560 H 3.6904950 0.8492420 -0.4338350 H 1.3824830 1.2198750 -3.0371910 H 1.2121270 1.5999480 -3.6694600 H 3.0084990 -1.2151940 -2.7257480 H 3.4208210 -1.5936390 -3.2356390 timestep 681 15 0 0 0.000100 C 0.6317970 -0.4648460 -0.5299570 C 0.2875080 -0.4898660 0.8187630 C 1.2125590 -0.0052660 1.8181710 C 2.4734940 0.4864650 1.3110760 C 2.7350220 0.4766430 -0.0563970 N 1.8496000 0.0115340 -1.0423160 H 0.9760430 -0.0113460 2.8813530 H -0.0710300 -0.8320780 -1.2809340 H -0.6913010 -0.8803470 1.1090850 H 3.2364820 0.8696180 1.9936820 H 3.6892750 0.8507630 -0.4334670 H 1.3862210 1.2188630 -3.0386140 H 1.2194730 1.5991050 -3.6717010 H 3.0061650 -1.2136600 -2.7278500 H 3.4156460 -1.5921990 -3.2399050 timestep 701 15 0 0 0.000100 C 0.6212710 -0.4443060 -0.5284910 C 0.2791730 -0.4681450 0.8195950 C 1.2116410 -0.0050560 1.8227350 C 2.4805500 0.4654880 1.3145040 C 2.7429850 0.4564390 -0.0515950 N 1.8495560 0.0112180 -1.0444830 H 0.9755360 -0.0111950 2.8850800 H -0.0898560 -0.7942900 -1.2805330 H -0.7065600 -0.8416100 1.1089040 H 3.2502930 0.8322930 1.9984940 H 3.7049690 0.8135510 -0.4268430 H 1.3695770 1.1645470 -3.0500250 H 1.1730710 1.5233540 -3.6864320 H 3.0291120 -1.1612690 -2.7325280 H 3.4656360 -1.5176350 -3.2373950 timestep 721 15 0 0 0.000100 C 0.6266240 -0.4549710 -0.5291910 C 0.2834330 -0.4794060 0.8192470 C 1.2120990 -0.0051630 1.8204730 C 2.4769190 0.4763640 1.3128230 C 2.7389120 0.4669200 -0.0539920 N 1.8495520 0.0113790 -1.0432680 H 0.9757850 -0.0112710 2.8832510 H -0.0803390 -0.8138710 -1.2806230 H -0.6987520 -0.8617170 1.1090520 H 3.2432110 0.8516620 1.9960860 H 3.6969770 0.8328270 -0.4301000 H 1.3782380 1.1925220 -3.0443010 H 1.1971620 1.5626110 -3.6791550 H 3.0172750 -1.1882410 -2.7302950 H 3.4398580 -1.5562630 -3.2390180 timestep 741 15 0 0 0.000100 C 0.6326820 -0.4982110 -0.5048530 C 0.2968850 -0.5230640 0.8446820 C 1.2109250 -0.0082760 1.8390230 C 2.4544890 0.5154310 1.3214930 C 2.7123240 0.5052010 -0.0453270 N 1.8376100 0.0074360 -1.0312000 H 0.9789550 -0.0143100 2.9021950 H -0.0651980 -0.8853160 -1.2509960 H -0.6695560 -0.9385740 1.1416270 H 3.2079250 0.9265430 1.9984090 H 3.6557350 0.9010780 -0.4285260 H 1.5086030 1.2087560 -3.0630900 H 1.3959890 1.5887030 -3.7077430 H 2.9175460 -1.1924680 -2.7795220 H 3.2820380 -1.5695460 -3.3251830 timestep 761 15 0 0 0.000100 C 0.6395550 -0.5221950 -0.4972330 C 0.3068640 -0.5483640 0.8529620 C 1.2112370 -0.0095070 1.8430060 C 2.4420860 0.5386740 1.3211140 C 2.6978310 0.5276590 -0.0459950 N 1.8325480 0.0067540 -1.0286610 H 0.9813030 -0.0158600 2.9066010 H -0.0506950 -0.9285270 -1.2403320 H -0.6494860 -0.9835420 1.1540310 H 3.1869850 0.9694370 1.9950980 H 3.6312810 0.9432340 -0.4328850 H 1.5721960 1.2433650 -3.0633630 H 1.4875290 1.6334880 -3.7058470 H 2.8647420 -1.2219570 -2.7962510 H 3.2029800 -1.6092760 -3.3512560 timestep 781 15 0 0 0.000100 C 0.6413690 -0.5300870 -0.4948390 C 0.3103720 -0.5573500 0.8556810 C 1.2113450 -0.0097890 1.8443250 C 2.4376950 0.5469770 1.3202930 C 2.6925720 0.5352420 -0.0469010 N 1.8299970 0.0068390 -1.0277380 H 0.9824850 -0.0164290 2.9080500 H -0.0457270 -0.9442450 -1.2365930 H -0.6421640 -0.9996940 1.1584740 H 3.1797850 0.9842960 1.9931860 H 3.6221210 0.9582550 -0.4352120 H 1.5945550 1.2595950 -3.0633540 H 1.5170110 1.6534010 -3.7040640 H 2.8472530 -1.2362670 -2.8020270 H 3.1782850 -1.6273590 -3.3582920 timestep 801 15 0 0 0.000100 C 0.6411040 -0.5305070 -0.4951440 C 0.3107080 -0.5581880 0.8554890 C 1.2114590 -0.0097260 1.8439750 C 2.4373630 0.5477540 1.3192900 C 2.6918620 0.5358660 -0.0479450 N 1.8292030 0.0071200 -1.0284610 H 0.9830260 -0.0165470 2.9077280 H -0.0456520 -0.9461760 -1.2363840 H -0.6413680 -1.0013620 1.1586340 H 3.1794960 0.9854100 1.9919660 H 3.6209130 0.9598990 -0.4363740 H 1.5953950 1.2660070 -3.0624670 H 1.5164100 1.6610640 -3.7020720 H 2.8475710 -1.2424130 -2.8013160 H 3.1794640 -1.6348180 -3.3559290 timestep 821 15 0 0 0.000100 C 0.6396110 -0.5290900 -0.4952570 C 0.3098520 -0.5569650 0.8554820 C 1.2115200 -0.0096850 1.8440030 C 2.4379930 0.5465090 1.3187890 C 2.6919550 0.5347160 -0.0484980 N 1.8281770 0.0073820 -1.0288370 H 0.9835690 -0.0166820 2.9078010 H -0.0476790 -0.9445540 -1.2361390 H -0.6425660 -0.9993080 1.1588810 H 3.1809820 0.9829510 1.9913540 H 3.6212850 0.9580830 -0.4370390 H 1.5924010 1.2677200 -3.0629040 H 1.5107330 1.6626690 -3.7021440 H 2.8524310 -1.2440400 -2.8007010 H 3.1866880 -1.6363220 -3.3538020 timestep 841 15 0 0 0.000100 C 0.6383590 -0.5277600 -0.4956590 C 0.3090780 -0.5556330 0.8551800 C 1.2117050 -0.0097300 1.8436310 C 2.4386810 0.5451470 1.3180610 C 2.6920320 0.5336650 -0.0493170 N 1.8273430 0.0075950 -1.0296280 H 0.9841790 -0.0168740 2.9075000 H -0.0496780 -0.9424620 -1.2362840 H -0.6437480 -0.9969810 1.1587860 H 3.1824990 0.9803840 1.9905070 H 3.6217580 0.9560410 -0.4380130 H 1.5887630 1.2687570 -3.0624370 H 1.5049630 1.6638110 -3.7013420 H 2.8574140 -1.2451100 -2.7990970 H 3.1936060 -1.6374660 -3.3509000 timestep 861 15 0 0 0.000100 C 0.6364810 -0.5263260 -0.4955720 C 0.3080000 -0.5542050 0.8554410 C 1.2119410 -0.0099250 1.8436580 C 2.4393730 0.5435640 1.3175100 C 2.6918070 0.5325220 -0.0500120 N 1.8258880 0.0077780 -1.0300770 H 0.9850660 -0.0172520 2.9076510 H -0.0525550 -0.9399440 -1.2358860 H -0.6452140 -0.9944490 1.1594620 H 3.1841580 0.9775610 1.9896950 H 3.6218910 0.9537210 -0.4391520 H 1.5861300 1.2677640 -3.0626270 H 1.5008300 1.6623980 -3.7016230 H 2.8626640 -1.2439830 -2.7981920 H 3.2004940 -1.6358420 -3.3492870 timestep 881 15 0 0 0.000100 C 0.6349840 -0.5257880 -0.4953790 C 0.3073920 -0.5537350 0.8558470 C 1.2122910 -0.0102550 1.8435860 C 2.4395960 0.5428240 1.3167740 C 2.6910000 0.5322500 -0.0509280 N 1.8243040 0.0079250 -1.0306490 H 0.9861290 -0.0177700 2.9077350 H -0.0548630 -0.9387170 -1.2353210 H -0.6458430 -0.9935550 1.1604030 H 3.1850090 0.9763500 1.9885600 H 3.6210910 0.9528760 -0.4406720 H 1.5858950 1.2671960 -3.0622360 H 1.5004480 1.6617880 -3.7013100 H 2.8656170 -1.2431290 -2.7972660 H 3.2039020 -1.6348770 -3.3481560 timestep 901 15 0 0 0.000100 C 0.6337240 -0.5258670 -0.4948850 C 0.3070830 -0.5540330 0.8565820 C 1.2126590 -0.0106870 1.8437140 C 2.4394490 0.5427510 1.3162020 C 2.6898440 0.5325540 -0.0516950 N 1.8226260 0.0080400 -1.0308830 H 0.9872220 -0.0183900 2.9080350 H -0.0566840 -0.9385100 -1.2344590 H -0.6458850 -0.9939890 1.1617420 H 3.1851940 0.9764100 1.9875170 H 3.6196320 0.9531750 -0.4421520 H 1.5880370 1.2661860 -3.0620730 H 1.5035520 1.6606800 -3.7014100 H 2.8663300 -1.2416650 -2.7969770 H 3.2041700 -1.6332710 -3.3482690 timestep 921 15 0 0 0.000100 C 0.6332450 -0.5263300 -0.4946160 C 0.3072030 -0.5547950 0.8570200 C 1.2129530 -0.0110350 1.8436770 C 2.4391230 0.5432050 1.3157490 C 2.6889120 0.5331820 -0.0522880 N 1.8216090 0.0081460 -1.0310400 H 0.9879600 -0.0188750 2.9081180 H -0.0573110 -0.9391380 -1.2339480 H -0.6453960 -0.9952530 1.1625660 H 3.1848720 0.9773410 1.9867340 H 3.6182930 0.9542570 -0.4431930 H 1.5906260 1.2661010 -3.0617310 H 1.5072100 1.6607340 -3.7011710 H 2.8652510 -1.2411900 -2.7966260 H 3.2024030 -1.6329680 -3.3482620 timestep 941 15 0 0 0.000100 C 0.6330610 -0.5265990 -0.4945070 C 0.3073660 -0.5553950 0.8572380 C 1.2131550 -0.0112920 1.8436180 C 2.4389070 0.5435630 1.3154850 C 2.6883840 0.5335980 -0.0526420 N 1.8210480 0.0082750 -1.0310730 H 0.9884090 -0.0192440 2.9081310 H -0.0574910 -0.9396310 -1.2337060 H -0.6449750 -0.9962580 1.1629770 H 3.1846210 0.9780210 1.9862900 H 3.6174610 0.9551260 -0.4437540 H 1.5924560 1.2662030 -3.0616680 H 1.5095640 1.6608890 -3.7011620 H 2.8640530 -1.2409740 -2.7962530 H 3.2009330 -1.6328980 -3.3479870 timestep 961 15 0 0 0.000100 C 0.6330610 -0.5265990 -0.4945070 C 0.3073660 -0.5553950 0.8572380 C 1.2131550 -0.0112920 1.8436180 C 2.4389070 0.5435630 1.3154850 C 2.6883840 0.5335980 -0.0526420 N 1.8210480 0.0082750 -1.0310730 H 0.9884090 -0.0192440 2.9081310 H -0.0574910 -0.9396310 -1.2337060 H -0.6449750 -0.9962580 1.1629770 H 3.1846210 0.9780210 1.9862900 H 3.6174610 0.9551260 -0.4437540 H 1.5924560 1.2662030 -3.0616680 H 1.5095640 1.6608890 -3.7011620 H 2.8640530 -1.2409740 -2.7962530 H 3.2009330 -1.6328980 -3.3479870 timestep 981 15 0 0 0.000100 C 0.6330610 -0.5265990 -0.4945070 C 0.3073660 -0.5553950 0.8572380 C 1.2131550 -0.0112920 1.8436180 C 2.4389070 0.5435630 1.3154850 C 2.6883840 0.5335980 -0.0526420 N 1.8210480 0.0082750 -1.0310730 H 0.9884090 -0.0192440 2.9081310 H -0.0574910 -0.9396310 -1.2337060 H -0.6449750 -0.9962580 1.1629770 H 3.1846210 0.9780210 1.9862900 H 3.6174610 0.9551260 -0.4437540 H 1.5924560 1.2662030 -3.0616680 H 1.5095640 1.6608890 -3.7011620 H 2.8640530 -1.2409740 -2.7962530 H 3.2009330 -1.6328980 -3.3479870