         #            Time                Total              Kinetic            Potential                 Temp               ConstQ                 Bond                Angle             Dihedral             Improper            Coulombic         LennardJones  Cost
                        ps             kcal/mol             kcal/mol             kcal/mol               Kelvin             kcal/mol             kcal/mol             kcal/mol             kcal/mol             kcal/mol             kcal/mol             kcal/mol  second
         0         0.00000     -134230.56945744       36085.33154757     -170315.90100501         300.00000000     -134230.56945744        6420.14428661        4495.95531110        1531.31406870          20.78944740     -209097.89905045       26313.79486581  0.129
       100         0.10000     -133816.54187207       16118.34524766     -149934.88711973         134.00191621     -134016.76556412        7302.41369899        5869.59861893        1666.48807052          75.45725238     -188865.46777364       24016.62295515  6.522
       200         0.20000     -133606.24161267       16992.08207064     -150598.32368331         141.26583857     -134065.52297681        6679.22007384        5375.41406643        1657.28109955          67.37158807     -186898.20683159       22520.59626219  6.730
       300         0.30000     -133300.87796459       17301.76543332     -150602.64339791         143.84043065     -134046.30803993        6874.09339659        5371.10977271        1657.72694720          75.62709833     -187077.51167460       22496.31100366  7.048
       400         0.40000     -132995.61549652       17629.55917628     -150625.17467280         146.56558568     -134041.03818552        6903.10388790        5646.97799910        1681.10341086          73.06888064     -187107.58042627       22178.15151675  6.786
       500         0.50000     -132688.98155518       17831.56697484     -150520.54853002         148.24500325     -134043.60841842        6897.69501399        5660.74441158        1679.58582253          66.63689271     -186913.31572295       22088.10499396  7.130
       600         0.60000     -132370.70314554       18239.25260634     -150609.95575188         151.63434967     -134041.64160329        6971.88564851        5526.93149566        1664.95619548          67.90490398     -186932.62226207       22090.98820836  8.399
       700         0.70000     -132047.35552854       18244.02235242     -150291.37788096         151.67400356     -134039.18937392        6944.43255380        5749.44378593        1672.21662613          72.60358468     -186525.84737044       21795.77288086  6.649
       800         0.80000     -131721.23022170       18556.58155378     -150277.81177548         154.27250429     -134038.86820441        7012.32633599        5745.67093573        1655.77131462          63.09932238     -186502.09083030       21747.41108802  6.749
       900         0.90000     -131394.26339481       18688.27345176     -150082.53684657         155.36734166     -134041.36977101        6990.77592056        5829.50716166        1670.78522837          59.24857547     -186826.56552784       22193.71173723  6.810
      1000         1.00000     -131052.75965424       19097.13931675     -150149.89897099         158.76650011     -134034.76244663        7073.00791006        5924.48645365        1680.59702854          78.45123144     -187042.15918719       22135.71753449  6.867
      1100         1.10000     -130718.10874353       19243.13763078     -149961.24637431         159.98027569     -134037.95153982        7059.29175492        6039.90267212        1658.05849304          72.03242206     -186693.24168295       21902.70990856  7.133
      1200         1.20000     -130372.13064295       19587.22032003     -149959.35096297         162.84085095     -134033.62503266        7176.48124052        6044.82589219        1650.68433197          64.64356137     -186721.82297951       21825.83693254  6.806
      1300         1.30000     -130028.92927412       19746.49903816     -149775.42831229         164.16503486     -134034.82919218        7176.33193168        6097.28820544        1651.19976049          68.45711419     -186657.80960207       21889.10422010  6.777
      1400         1.40000     -129680.78478613       19817.46710518     -149498.25189131         164.75503692     -134033.48328349        7166.60235479        6296.50007647        1651.19295901          69.01881599     -186225.77042444       21544.20426910  6.840
      1500         1.50000     -129328.64802233       20016.21480360     -149344.86282593         166.40735123     -134030.73875167        7218.94192738        6269.17958315        1651.85659112          67.94895750     -186155.73245920       21602.94251641  6.753
      1600         1.60000     -128975.21078214       20268.02014560     -149243.23092775         168.50076701     -134029.65885302        7245.99052790        6274.84141512        1669.21164767          68.80359828     -186043.11926821       21541.04109381  6.735
      1700         1.70000     -128619.71063533       20456.83254355     -149076.54317888         170.07048293     -134029.28112013        7247.29169962        6500.76912921        1647.57198869          72.65939493     -186389.52333785       21844.68788892  6.716
      1800         1.80000     -128259.39642046       20666.03935262     -148925.43577308         171.80975039     -134026.60372637        7325.06527804        6547.41296413        1645.92109610          77.85564527     -186342.82041345       21821.12959927  7.076
      1900         1.90000     -127900.23781233       20911.60162888     -148811.83944121         173.85126365     -134027.18228946        7298.60193928        6492.25878389        1650.40990085          68.90589677     -185936.49885737       21614.48283788  6.742
      2000         2.00000     -127536.34426908       20931.60513834     -148467.94940742         174.01756537     -134024.51265119        7339.42233666        6621.95859703        1644.62486515          74.46567652     -185789.55407833       21641.13313817  6.735
      2100         2.10000     -127170.02682909       21254.42565758     -148424.45248667         176.70137487     -134021.50994283        7401.43921246        6600.72165617        1637.48916875          70.22037901     -185794.28285304       21659.95989262  7.027
      2200         2.20000     -126803.38543551       21476.43982765     -148279.82526315         178.54711796     -134020.50773504        7402.09904627        6704.36376387        1650.37635199          69.09797139     -185834.45417896       21728.69172499  6.829
      2300         2.30000     -126435.52380224       21647.48842312     -148083.01222536         179.96915224     -134020.39367309        7454.78801960        6791.15795109        1643.61048581          67.80738960     -185598.03754262       21557.66141393  6.760
      2400         2.40000     -126067.13947656       21771.76890003     -147838.90837659         181.00237381     -134020.61556146        7458.03933169        6904.10587981        1664.51245363          69.42309645     -185310.51671970       21375.52752439  6.737
      2500         2.50000     -125693.56381688       21911.46693429     -147605.03075118         182.16377122     -134017.68196252        7474.02215880        6825.21402525        1665.58818697          72.84632348     -185321.62957849       21678.92807577  7.015
      2600         2.60000     -125322.07199744       22282.74246027     -147604.81445771         185.25041759     -134018.12684066        7551.88659101        6925.75359820        1653.46952495          62.27099830     -185350.12708376       21551.93185655  6.753
      2700         2.70000     -124944.79070775       22386.43424691     -147331.22495466         186.11247247     -134014.65779749        7572.03769793        7022.22577854        1675.40507391          78.09629958     -184844.25529919       21165.26543763  6.749
      2800         2.80000     -124568.06490062       22455.44577373     -147023.51067435         186.68620858     -134012.15450475        7628.51709962        6953.61979399        1671.76016754          82.92018900     -184715.55795554       21355.22997422  6.822
      2900         2.90000     -124188.68719417       22723.35028322     -146912.03747739         188.91346685     -134009.27052374        7665.71452767        7054.31227483        1669.05567676          77.52536249     -184887.34838562       21508.70300971  7.184
      3000         3.00000     -123811.16882767       22786.80038259     -146597.96921026         189.44096733     -134008.97127103        7698.50535578        7137.62765312        1649.25279866          74.15982199     -184405.49866008       21247.98376361  6.843
      3100         3.10000     -123430.23641397       23055.48671959     -146485.72313356         191.67472541     -134006.10151796        7732.98545159        7191.61584206        1681.63964854          82.19571244     -184023.78527796       20849.62543316  7.075
      3200         3.20000     -123049.89464366       23168.55198420     -146218.44662786         192.61470789     -134004.78785442        7793.27429552        7258.25790934        1665.53544434          76.37415466     -184128.61459170       21116.72610349  6.757
      3300         3.30000     -122671.33677716       23368.27770923     -146039.61448639         194.27515315     -134006.67469414        7800.54976339        7267.82804145        1660.61730256          69.87805500     -183935.31927519       21096.83156996  7.005
      3400         3.40000     -122288.29157509       23650.28585342     -145938.57742852         196.61966377     -134004.85254533        7825.15874920        7203.78379514        1656.58383563          77.17634281     -183755.45016992       21054.16996223  6.745
      3500         3.50000     -121899.55458619       23764.06525072     -145663.61983691         197.56558328     -133998.44030847        7899.95756749        7306.47116762        1670.85274464          77.07792567     -183737.16071604       21119.18141743  7.015
      3600         3.60000     -121516.75739778       23785.22770223     -145301.98510001         197.74152002     -133997.80030522        7936.39935108        7332.15578052        1662.67612993          76.35452763     -183156.99291266       20847.42196734  7.006
      3700         3.70000     -121132.79290945       24162.65846035     -145295.45136980         200.87933870     -133997.24194129        7940.61375659        7406.63622900        1669.00131463          88.74585322     -183415.92453066       21015.47595127  6.734
      3800         3.80000     -120747.84188313       24299.73179180     -145047.57367493         202.01891530     -133996.21615904        8013.82892920        7502.04532044        1651.69348704          77.51002428     -183147.49362699       20854.84213506  7.065
      3900         3.90000     -120356.72451092       24399.04350205     -144755.76801296         202.84455585     -133989.48334385        8079.26794289        7476.84462675        1652.12849902          70.85875810     -182788.20870664       20753.34081096  7.065
      4000         4.00000     -119970.37524593       24671.78276530     -144642.15801122         205.11200846     -133988.32324402        8105.14801086        7496.81360746        1661.28284356          73.00941054     -182745.18665336       20766.77471382  6.800
      4100         4.10000     -119584.27443557       24776.86158950     -144361.13602507         205.98559465     -133987.45927098        8146.29115577        7592.19761025        1647.57100621          78.73536712     -182514.33149394       20688.40027373  6.733
      4200         4.20000     -119196.08566999       24754.29182586     -143950.37749585         205.79795804     -133984.45540722        8210.45199252        7658.00410485        1666.24506685          83.41849763     -182469.06043770       20900.56322438  7.010
      4300         4.30000     -118804.96915999       24981.67063328     -143786.63979328         207.68830072     -133979.35970952        8349.34108873        7600.26870621        1648.89663823          88.61004335     -182101.38616804       20627.62984269  6.759
      4400         4.40000     -118418.97155977       25177.77240749     -143596.74396726         209.31861780     -133979.41280200        8295.04389124        7738.31328459        1656.14274128          82.04322778     -182027.55693170       20659.26976406  7.022
      4500         4.50000     -118033.39885538       25368.14475595     -143401.54361133         210.90130256     -133980.05783572        8317.72171607        7665.61179631        1679.26526099          72.64534205     -181627.11727501       20490.32949284  7.038
      4600         4.60000     -117642.72555391       25368.10852732     -143010.83408123         210.90100137     -133975.49915193        8395.91093799        7675.34873696        1651.18028458          75.75201000     -181414.48342894       20605.45732291  7.036
      4700         4.70000     -117254.31663012       25632.02841644     -142886.34504656         213.09513298     -133973.77425897        8460.46370970        7717.03884475        1674.43285806          84.18234355     -181507.28123587       20684.81837804  6.768
      4800         4.80000     -116862.69638972       25834.43985216     -142697.13624188         214.77790624     -133968.68609075        8535.65851846        7909.11398556        1653.95892311          78.33533388     -181592.92123387       20718.71817583  7.027
      4900         4.90000     -116479.51506583       26111.41326207     -142590.92832790         217.08055996     -133971.60079286        8484.18811737        7745.98591649        1688.21388074          70.12341272     -181145.62052732       20566.18081699  6.816
      5000         5.00000     -116086.39865872       26219.71229602     -142306.11095474         217.98091777     -133964.50718824        8666.96579741        7796.14281299        1679.88101460          72.36483370     -180910.62272159       20389.15725316  7.048
      5100         5.10000     -115705.55674114       26398.10985252     -142103.66659366         219.46404858     -133969.35335922        8591.59838020        7855.28664214        1664.01724109          70.89340829     -180663.58008949       20378.11776920  7.044
      5200         5.20000     -115308.56484468       26506.26286116     -141814.82770584         220.36319239     -133957.40561756        8747.01916126        7948.08817374        1680.39555502          71.45811614     -180800.74525924       20538.95649244  7.055
      5300         5.30000     -114927.93968799       26664.02140499     -141591.96109297         221.67473814     -133961.59428398        8727.80273086        7884.49382911        1681.95170496          90.67743799     -180541.66981565       20564.78296503  6.771
      5400         5.40000     -114543.25777711       26968.95826775     -141512.21604486         224.20986959     -133961.38886272        8784.25394537        7981.86534116        1701.06808530          88.69426317     -180303.83480580       20235.73707125  7.038
      5500         5.50000     -114154.85414767       27045.26163760     -141200.11578527         224.84422737     -133956.63613219        8821.99847566        7980.87572668        1648.17350118          85.36801547     -180049.93800313       20313.40644431  7.067
      5600         5.60000     -113769.66239542       27174.22582614     -140943.88822156         225.91638758     -133954.75514127        8809.86423118        7869.91466633        1659.84974905          79.64499850     -179627.23069142       20264.06877035  7.065
      5700         5.70000     -113379.94772027       27304.31517537     -140684.26289564         226.99790195     -133947.44691806        8939.42836492        8029.85671066        1677.55843415          79.92758907     -179664.72319823       20253.68914942  7.065
      5800         5.80000     -112999.09612348       27513.38514924     -140512.48127272         228.73603181     -133948.30375611        8994.01483064        8134.38781825        1656.95036288          89.78682310     -179546.23971144       20158.61854955  7.103
      5900         5.90000     -112618.15903577       27688.52238846     -140306.68142423         230.19205756     -133948.39535838        8974.85045960        8106.67179704        1676.47314174          81.91846568     -179000.32684646       19853.73150395  7.052
      6000         6.00000     -112232.75683742       27829.53644608     -140062.29328350         231.36439589     -133943.27844158        9003.26112872        8016.19823378        1682.62496436          84.10037973     -178814.66816046       19966.19011625  7.039
      6100         6.10000     -111851.26754583       28025.18142795     -139876.44897378         232.99091536     -133940.60189553        8991.01364137        8150.93823621        1675.17216836          92.21935972     -178627.67254440       19841.88011091  7.141
      6200         6.20000     -111473.75660551       28276.91281187     -139750.66941738         235.08371628     -133941.08151410        9092.06512883        8190.42695197        1696.65680288          98.42892968     -178676.07787584       19847.83059110  7.030
      6300         6.30000     -111090.73241739       28280.32863563     -139371.06105302         235.11211417     -133934.63434672        9101.13640830        8072.64439787        1688.28902373          80.14793326     -178310.96540098       19997.68653094  6.757
      6400         6.40000     -110711.64550995       28413.55144227     -139125.19695222         236.21967894     -133931.02670786        9274.32824892        8141.29687607        1692.09132259          82.05153881     -178141.55764028       19826.59264790  7.126
      6500         6.50000     -110332.85938966       28362.97338624     -138695.83277590         235.79919183     -133926.13751047        9253.41403042        8314.05767079        1682.92356300          84.71940763     -177973.80164631       19942.85414497  7.094
      6600         6.60000     -109960.48720014       28714.90527374     -138675.39247388         238.72502240     -133927.06641481        9329.47353082        8119.25558433        1686.22109719          88.21297040     -177946.74934970       20048.19363949  7.115
      6700         6.70000     -109582.68592353       28729.61818945     -138312.30411298         238.84734010     -133921.03800726        9396.42737260        8212.79995205        1694.07175488          85.50846999     -177661.57814131       19960.46642537  7.060
      6800         6.80000     -109212.82542103       29060.16195261     -138272.98737364         241.59535778     -133922.22823038        9361.21895866        8316.30606225        1689.92675864          88.13609302     -177543.28536437       19814.71006473  7.080
      6900         6.90000     -108842.80158393       29123.47758397     -137966.27916790         242.12174034     -133920.85733997        9416.65307071        8262.26281358        1664.30993792          87.89282449     -177038.90130114       19641.50343322  7.022
      7000         7.00000     -108473.57920664       29404.11878454     -137877.69799119         244.45488671     -133919.27638585        9434.07955836        8147.02909611        1676.76622860          89.46012720     -176771.60228160       19546.56922687  7.019
      7100         7.10000     -108103.62368735       29364.50481688     -137468.12850423         244.12555094     -133915.35542526        9506.15782452        8308.41887410        1670.35549504          88.51859616     -176688.53093882       19646.95159166  7.071
      7200         7.20000     -107737.12229260       29656.55260424     -137393.67489684         246.55352742     -133913.67255083        9534.93032034        8437.65419374        1670.50352509          76.59937496     -176424.85256815       19311.49020408  7.049
      7300         7.30000     -107369.02112021       29668.79859082     -137037.81971103         246.65533599     -133908.53752626        9585.18637583        8293.23591845        1668.82065734          91.72762293     -176389.45913782       19712.66879929  7.069
      7400         7.40000     -107010.98766451       29905.81615008     -136916.80381459         248.62581166     -133911.23997791        9577.58411639        8353.03854956        1669.71357121          92.35910342     -176228.16487533       19618.66566726  7.140
      7500         7.50000     -106644.90531487       30002.11219706     -136647.01751193         249.42638111     -133904.14325086        9676.55431972        8492.17435410        1686.82695244          86.23820826     -175863.43544942       19274.62405017  7.054
      7600         7.60000     -106287.05219938       30035.41027979     -136322.46247917         249.70320896     -133902.84821998        9690.76617128        8398.07570065        1678.63924138          92.34099207     -175382.70558225       19200.42094502  7.105
      7700         7.70000     -105932.89549581       30292.28018070     -136225.17567651         251.83872960     -133903.46155528        9736.07293292        8349.46630618        1684.92337724          88.11304260     -175503.10172158       19419.35033348  7.138
      7800         7.80000     -105570.40262743       30574.41801127     -136144.82063871         254.18431839     -133893.91479506        9838.53814148        8658.13202034        1662.43702313          97.09611905     -175552.85848268       19151.83448736  7.062
      7900         7.90000     -105220.72167302       30641.62149803     -135862.34317105         254.74302314     -133893.26560032        9949.47237938        8552.30387846        1658.01371308          86.31873096     -175584.64250616       19476.19058073  7.066
      8000         8.00000     -104872.84248204       30860.63758615     -135733.48006819         256.56384128     -133891.88504208        9921.23451359        8512.82012373        1685.27342714          99.75593934     -175372.25509923       19419.69097479  7.069
      8100         8.10000     -104523.32696513       31104.74508633     -135628.07205147         258.59326008     -133887.01917898       10029.78116660        8490.10964870        1664.72629161          89.12109030     -175436.37087430       19534.56057321  7.046
      8200         8.20000     -104180.14190788       31011.05209803     -135191.19400591         257.81433149     -133884.65530156       10026.62683838        8453.62899791        1683.16894910          93.21351180     -174695.75906926       19247.92671391  7.069
      8300         8.30000     -103840.32680700       31108.33317429     -134948.65998128         258.62309010     -133884.17568524       10123.81863011        8501.18627280        1688.59942932          96.86964032     -174640.46617622       19281.33217024  7.091
      8400         8.40000     -103500.18683402       31537.41833271     -135037.60516673         262.19034422     -133881.07912169       10151.64056865        8606.85297985        1683.55672536          86.44680301     -175015.34916796       19449.24687217  7.055
      8500         8.50000     -103161.57545867       31336.95591369     -134498.53137236         260.52377437     -133876.58208977       10214.23169505        8653.20708700        1679.45675647          96.48768646     -174598.45532232       19456.54067301  7.080
      8600         8.60000     -102829.86138647       31603.18674005     -134433.04812653         262.73711825     -133876.36968696       10187.82645448        8600.97398002        1685.80294417          91.36948558     -174245.90735655       19246.88631383  7.157
      8700         8.70000     -102491.40291882       31634.36056138     -134125.76348020         262.99628579     -133865.96775711       10322.47744477        8508.52260808        1688.68634780          88.34205021     -173837.43541540       19103.64343251  7.470
      8800         8.80000     -102167.54222009       31841.04213968     -134008.58435978         264.71455941     -133868.21368312       10314.67895837        8583.47995137        1688.22837052          90.03068013     -173860.12989918       19175.12752723  7.226
      8900         8.90000     -101847.33552648       32020.14503819     -133867.48056467         266.20355417     -133871.26738437       10289.88231419        8615.12713036        1689.73813309         100.73684414     -173815.27100910       19252.30597091  7.194
      9000         9.00000     -101521.73335250       32134.96826016     -133656.70161266         267.15815165     -133864.90487347       10371.55484081        8583.04272779        1682.71037485          95.88489431     -173268.90313440       18879.00863233  7.013
      9100         9.10000     -101201.95686385       32252.29720648     -133454.25407034         268.13358079     -133861.50582932       10403.15802983        8639.20951057        1695.39707389          90.35996894     -173389.44738688       19107.06868175  7.379
      9200         9.20000     -100888.14831366       32496.74376442     -133384.89207808         270.16581839     -133860.20918183       10368.55108164        8723.19879284        1683.19481863          95.92974634     -173205.69849470       18949.93192563  7.254
      9300         9.30000     -100578.89921018       32520.84939905     -133099.74860923         270.36622365     -133859.08498549       10436.92427598        8621.57980892        1697.42939022         100.71831652     -172773.22941643       18816.82896412  7.458
      9400         9.40000     -100271.14965665       32668.17051219     -132939.32016884         271.59099649     -133856.91550183       10568.00534340        8576.31788333        1692.95053586          88.36593747     -172749.73171403       18884.77179376  7.265
      9500         9.50000      -99959.15928496       32686.86479432     -132646.02407928         271.74641379     -133845.66058042       10659.61992276        8745.77752012        1703.07775588          96.01140798     -172661.31654362       18810.80580633  7.206
      9600         9.60000      -99667.33935998       33043.56346211     -132710.90282209         274.71187359     -133850.81824348       10583.87601581        8824.62198457        1700.19011253          89.59345122     -173007.46226334       19098.27782584  7.214
      9700         9.70000      -99370.72733288       32989.96543886     -132360.69277175         274.26627960     -133846.10700977       10640.12182526        8661.17837744        1693.77491115          96.10476851     -172243.89238876       18792.01968350  7.288
      9800         9.80000      -99083.18310690       33120.13583885     -132203.31894575         275.34846780     -133847.97704020       10723.48783126        8787.10704944        1698.42095679          98.19639577     -172644.29859784       19133.76736774  7.495
      9900         9.90000      -98790.21971731       33390.37977009     -132180.59948741         277.59517514     -133840.46539948       10862.67638260        8744.32303648        1685.93747509          97.87623972     -172406.04428515       18834.63161277  7.240
     10000        10.00000      -98511.94567150       33524.11389736     -132036.05956887         278.70699084     -133842.52309227       10850.32141702        8657.09756469        1697.76177767          90.53706975     -172324.05730779       18992.27985877  7.197
