73
Lattice="35.0 0.0 0.0 0.0 35.0 0.0 0.0 0.0 35.0" Properties=species:S:1:pos:R:3:masses:R:1:momenta:R:3:forces:R:3 PMAP_n2_A_min.pdb=T energy=-9389.2068661361 stress="-0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0" free_energy=-9389.2068661361 pbc="T T T"
C       11.33467642      12.21396675      15.81767346      12.01100000      -0.10924969       0.12561951       0.48731435      -0.01247167      -1.41035301       1.27988622
H       10.99556457      13.23018729      15.72663760       1.00800000       0.28071220      -0.20675333      -0.07400628      -0.69394977       1.03884704       0.07921052
H       10.84785813      11.67212005      16.68965396       1.00800000       0.03938777       0.02626709      -0.07932691      -0.40506236       0.52777080      -0.92319569
H       11.10887820      11.69123560      14.87117997       1.00800000       0.10441599      -0.27650095      -0.17468111       0.12543392      -0.16998675      -0.01126760
C       12.79491326      12.20374626      16.19473358      12.01100000       0.60181216       0.11113524       0.18828094       2.50297328       0.45198017      -1.27989811
C       13.22216648      12.96989039      17.52712592      12.01100000       0.36668738      -0.17206699       0.44686877      -1.12251390      -1.72196059       0.71448592
C       12.43541104      12.32185562      18.74287783      12.01100000      -0.50122584      -0.49418182      -0.53105040      -0.20763415      -0.01904398      -1.57344502
C       12.82845930      14.43622331      17.43211213      12.01100000       0.38613486       0.14432730      -0.56741124      -0.49855191      -1.28892385       1.04918653
O       11.94412630      14.93093111      18.12352377      15.99900000      -0.04234875      -0.37018533      -1.22153916      -0.26625042       0.48759600      -0.17019176
O       13.55471102      15.11315873      16.55037253      15.99900000      -0.38591672       0.50779836       0.03847874       0.07303909       1.71536158      -0.58122032
C       13.11803578      16.53327049      16.47999544      12.01100000       0.08799071       0.41359341      -0.35207379       0.08053210       0.16341612      -1.38037860
C       13.49852110      17.44891628      17.64417464      12.01100000      -0.93465093       0.41586707       0.27519406       0.48511415       1.60071314       0.44666775
N       13.74177269      18.85536197      17.16894904      14.00700000      -0.66076083      -0.33925794       0.76649365       1.27222592       0.07454616       0.13070333
C       15.06379852      19.43741856      17.02659943      12.01100000      -0.21794383      -0.07757134      -0.36541587      -1.04062736      -0.61223748      -1.25851041
O       16.12827387      18.74005870      16.90808071      15.99900000      -0.57863913       0.53232037      -0.70492296       0.13180070       0.03701582       0.75438936
C       14.88402529      20.85017448      16.69435289      12.01100000      -0.33966681       0.19630440       0.68113557      -1.03636000       0.14422131       0.28527011
C       15.82002141      21.92152650      16.46269686      12.01100000       0.30672661      -0.16433753      -0.22159056      -0.88048041      -1.55856892       0.76891150
C       15.23492826      23.17375634      16.29142584      12.01100000       0.16163575       0.60309312       0.74517197      -1.73018604       0.77608095      -0.30252084
C       13.76724984      23.40780170      16.27354389      12.01100000      -0.55801578       1.10213895      -0.03967116       1.46981778      -0.06577897      -0.56778072
C       12.88620917      22.32341854      16.44360297      12.01100000      -0.28888746      -0.11832681      -0.46457188      -0.72548376       1.24102353      -0.36215534
C       13.43543248      21.08877994      16.66017747      12.01100000       1.13614257      -0.89604278      -0.36667743       1.31011332      -1.49015252       0.34241739
C       12.68738460      19.84027548      16.92273190      12.01100000      -0.05701211       0.41377142      -0.53755085       1.88671196      -1.29124133       0.59725135
O       11.51153809      19.50663643      17.00626054      15.99900000       0.12048846       0.15628265      -0.96268956      -1.10296615       0.49164322      -0.27488700
H       13.25966594      11.15939603      16.17526916       1.00800000      -0.24001556       0.00778307       0.17200725      -0.64504644       0.68652548       0.49233439
H       13.42835472      12.70604618      15.37921896       1.00800000      -0.23637134       0.01490855      -0.22169031      -0.64123437      -0.26443344       0.49756982
H       12.77021857      11.26397730      18.85214019       1.00800000      -0.00044964      -0.48129924       0.09211787      -0.25359933       0.14999029      -0.08467459
H       12.68854196      12.84601161      19.65833969       1.00800000      -0.18455710       0.03487071       0.13145888      -0.26482025       0.35618652       0.54945931
H       11.32494744      12.38767408      18.52250383       1.00800000       0.01715605       0.04207018       0.21615038       0.85036009      -0.11542620       0.48965788
H       13.68323862      16.90871720      15.55464230       1.00800000       0.57114732       0.26589635      -0.12312219      -0.91510298      -0.36565429       0.81035249
H       11.98964945      16.53970310      16.39902576       1.00800000      -0.07593307       0.09101598       0.03401216       0.83192670       0.10480318      -0.37835699
H       12.73902794      17.57921789      18.43133514       1.00800000      -0.28473620      -0.22357483       0.19596460      -0.49502289      -0.44924884      -0.13720809
H       14.40190741      17.14529383      18.21669203       1.00800000      -0.17047980       0.01483030      -0.24694942       0.10122066      -0.16235004      -0.37907254
H       16.91000862      21.68924671      16.53505884       1.00800000      -0.02059705       0.06518777       0.12810218      -0.46849724       0.43409608      -0.22888078
H       15.88625114      24.02455724      16.11518654       1.00800000       0.26418261      -0.02993288      -0.07274586       0.25030825       0.54537193      -0.06978458
H       13.35450859      24.39736535      15.96646466       1.00800000      -0.14363638       0.01436373       0.04380889       0.39123190      -0.26849801       0.38908347
H       11.77599734      22.37824475      16.38203454       1.00800000       0.18158184       0.30528161       0.03269745       0.39663374       0.34691517       0.03505256
C       14.74388412      12.77989494      17.61918039      12.01100000       0.11692909      -0.51944460       1.34255997       0.30819371       0.73312705       0.87731415
C       15.56427097      13.10830698      18.93904416      12.01100000       1.45692492       1.01802919      -0.34064334      -0.12182427       0.90466938      -0.71302580
C       15.20698662      12.24316856      20.15617603      12.01100000       0.10790480      -0.27554842       0.80145717      -1.10541415       0.10308557       0.94013368
C       17.04888104      12.86060797      18.61446930      12.01100000       0.60424595       0.12484683      -0.01228856      -0.43219501       1.60478697       1.46782221
O       17.42148280      12.08566446      17.77863474      15.99900000      -0.11233866      -0.35449651      -0.29317807       1.35499659      -0.94976286      -0.78204073
O       17.87722092      13.67043231      19.46210749      15.99900000      -0.21736399      -0.63371304       0.17387808      -0.45523881      -0.84653384      -1.12556161
C       19.31116847      13.40671135      19.47454367      12.01100000       0.42824017      -0.02278470       0.05813614      -0.34718161      -1.56505023      -0.18342521
C       20.16662999      13.91634853      18.34874951      12.01100000      -1.11795407      -0.44622799       0.30723598       1.42307271      -1.14797042      -1.80644610
N       20.35013441      15.32398347      18.14345792      14.00700000      -0.50192508      -0.70906262       0.63517649      -0.76597341       2.07533156      -0.51545743
C       19.41300837      16.30121474      17.67030391      12.01100000       0.42033824       0.46683485       0.06962079       1.27925394       0.37994507       1.02087411
O       18.27257146      15.99048036      17.24482210      15.99900000       0.03706231       0.52401107       0.64971891      -0.20637272      -0.16195004      -0.01760520
C       20.06757779      17.67961150      17.87622013      12.01100000      -0.45341665      -0.33329922      -0.12927070       1.35621077      -3.38502690       0.60006701
C       19.66615074      18.97533635      17.77491220      12.01100000      -0.28123978       0.26801760      -0.58199565       0.31955991       2.23486379       0.39439736
C       20.54375077      20.02642835      18.10767693      12.01100000       0.35640545      -0.14903164      -0.45739480       1.66969344       0.64301280       1.47230122
C       21.88504571      19.83446732      18.68122340      12.01100000       0.54084144      -1.27821613       0.78428845      -0.42644041      -1.07632464      -0.48338443
C       22.34161831      18.48223272      18.79911983      12.01100000      -0.87001619      -0.68112487      -0.30992602      -0.55113524      -0.94803625      -0.75055563
C       21.39346408      17.42937706      18.38414394      12.01100000      -0.37929126      -1.09832028       0.35166659       0.67492123       1.04408792      -0.18014530
C       21.58616256      15.96815999      18.40561855      12.01100000      -0.21168056       0.57039994      -1.24396582       0.50702953       0.95945503       0.79039873
O       22.64206210      15.41549947      18.68663781      15.99900000      -0.25218111      -0.36909035       1.09941748       0.86260753      -1.26964446       0.16569630
H       15.10651389      13.47140592      16.86040315       1.00800000       0.02695430      -0.12200856      -0.02477069       0.70487955       0.12154505      -0.57023562
H       14.94850042      11.76938129      17.28564798       1.00800000       0.20083295      -0.27813901      -0.39036594       0.41604980      -0.71903054      -0.05489442
H       15.98212934      12.31944440      20.94833135       1.00800000      -0.04725866       0.00714871       0.12798683       0.05523648      -0.12763470      -0.14597350
H       14.24633174      12.64023431      20.63923116       1.00800000       0.03051348       0.14879640       0.15496991       0.97160226      -0.39915892      -0.42336543
H       15.00077325      11.17618909      19.90838403       1.00800000       0.03269541       0.10879892      -0.12720139       0.28828274       0.21564025      -0.03485303
H       19.62338238      13.94005769      20.38495664       1.00800000      -0.02419186      -0.04416631      -0.17808276       0.19754596      -0.55678285       0.55370103
H       19.47950974      12.23938126      19.38992216       1.00800000       0.22574550       0.16160629       0.10351861      -0.24030206       1.77170458       0.81393819
H       21.24203296      13.53810853      18.53992892       1.00800000       0.15053792       0.01898377      -0.08212622      -1.09222671       0.34138882       0.00460944
H       19.89022170      13.42845794      17.38127672       1.00800000       0.13378307      -0.01318818       0.15330127      -0.17736872       0.15571477       0.20705285
H       18.66448485      19.29514411      17.66680176       1.00800000      -0.06471704       0.08969355       0.11995964      -1.74789409       0.21448388      -0.86333339
H       20.17237841      21.06562702      18.13678833       1.00800000      -0.11988250       0.02185124      -0.17204371      -0.15595496      -0.09993676      -0.25917655
H       22.57405946      20.65584481      19.05778318       1.00800000      -0.08572697       0.28386256       0.19328901      -0.94038089      -0.52596059      -0.58206417
H       23.41801278      18.22060009      19.11813710       1.00800000       0.16183849      -0.20536084       0.20723881      -1.57432391       0.20413621      -0.22657929
C       15.36150461      14.61278141      19.34227877      12.01100000       0.99421984       0.41247775      -0.12694671       0.09234881      -0.57422660      -0.45831183
H       15.99725785      14.83317515      20.20473966       1.00800000       0.13558433       0.17446737       0.00170508      -0.16497240       0.00853069       0.65510245
H       15.75322671      15.35215072      18.57147076       1.00800000      -0.12635833       0.09291468       0.22860575      -0.80283422      -0.72012839       0.16300421
H       14.26748539      14.64426238      19.57492436       1.00800000      -0.07074448      -0.20171506       0.08626096       0.45621070       0.88811465      -0.07809445
Li      16.93351406      17.17066004      17.44307831       6.94000000       0.00157471      -0.00135082      -0.73093765      -0.43573567       0.39183514      -0.32010338
