#MD System 2.0

@Title Aperiodic * C233 N4 O27 H204  (P1) ~ 1114 final: kero III-A v3-LAMMPS minimization

@Columns Atom
	AtomicNumber	int	0
	Coordinates	double	{{0.0 0.0 0.0}}
	FFAtomType	string	{{}}
	FFCharge	double	0.0
	Name	string	{{}}
	Point	int	1
	Selection	int	0
@end
@data
8 {-12.0356556686 -6.83425347058 10.8168059252} oc -0.20200000000000001 O29 1 0
6 {-10.8010758979 -7.67886039528 10.7295259051} c2oe 0.054000000000000013 C234 1 0
6 {-5.56490298104 -8.13073165319 12.1423198028} c2 -0.106 C3 1 0
1 {-6.18858626472 -6.92798552286 14.4443325782} hc 0.052999999999999999 H2 1 0
6 {-6.25520091111 -6.76765347751 12.2835901866} c1 -0.052999999999999999 C4 1 0
1 {-5.89441803734 -6.08856685793 11.5108334609} hc 0.052999999999999999 H4 1 0
6 {-4.44675694476 -5.91084191694 13.7435207946} c0 0.0 C5 1 0
1 {-5.79316922915 -8.5549160841 11.1639010654} hc 0.052999999999999999 H5 1 0
6 {-4.02629859745 -7.94295305782 12.282307569} c2 -0.106 C6 1 0
1 {-3.66388418144 -7.31987347767 11.46482101} hc 0.052999999999999999 H7 1 0
6 {-3.6875573262 -7.25728102541 13.640340935} c1 -0.052999999999999999 C7 1 0
1 {-3.98917634015 -7.90948422307 14.4611179015} hc 0.052999999999999999 H8 1 0
6 {-5.93682565643 -6.18455968387 13.6883689877} c1 -0.052999999999999999 C8 1 0
6 {-4.09653314346 -5.22517021132 15.0583796225} c2 -0.106 C9 1 0
6 {-2.15923055622 -6.99987179785 13.7225141439} c2 -0.106 C10 1 0
6 {-2.61073616225 -4.91983869162 15.0466820891} c1 -0.052999999999999999 C12 1 0
1 {-1.62933075751 -7.95239094338 13.7191253707} hc 0.052999999999999999 H9 1 0
1 {-1.84557697141 -6.40843820289 12.8629110269} hc 0.052999999999999999 H10 1 0
1 {-2.37277463652 -4.33580358962 14.1588797032} hc 0.052999999999999999 H13 1 0
1 {-4.33029961357 -5.88582488522 15.8958841102} hc 0.052999999999999999 H15 1 0
1 {-4.6627290481 -4.29714942662 15.1539257647} hc 0.052999999999999999 H16 1 0
6 {-12.3592226662 -6.30720191682 9.45775944198} cp 0.042000000000000003 C13 1 0
6 {-12.3565999982 -2.57094487161 9.96300639574} cp -0.1268 C14 1 0
6 {-12.6062481772 -2.25422744708 8.66401307789} c5 0.0 C15 1 0
6 {-12.8665123743 -3.18199827729 7.73722933186} c5 0.0 C16 1 0
6 {-12.869080641 -4.4810252142 7.96903171511} cp 0.0 C17 1 0
6 {-12.5107828289 -4.92827043124 9.24103474632} cp 0.0 C18 1 0
6 {-13.1113507944 -2.60161732734 6.559737041} c5 -0.050000000000000003 C19 1 0
6 {-13.4501875721 -3.3736242332 5.28480579784} c1 -0.052999999999999999 C20 1 0
6 {-13.9017861114 -4.82878457736 5.64602526877} c1 -0.052999999999999999 C21 1 0
6 {-13.1725386764 -5.35856487355 6.93881994557} cp 0.0 C22 1 0
6 {-12.8607333273 -6.7177022182 7.08953639289} cp 0.042000000000000003 C23 1 0
6 {-12.514481353 -7.20547469372 8.36910882785} cp -0.1268 C24 1 0
6 {-12.340541659 -3.93788477405 10.3027327229} cp 0.0 C25 1 0
6 {-13.6055760799 -5.76516025839 4.4762693469} c2 -0.106 C26 1 0
6 {-13.9418139703 -7.19682159887 4.90599370946} c2oe 0.054000000000000013 C27 1 0
8 {-12.9344424342 -7.67140202565 5.91437380681} oc -0.20200000000000001 O33 1 0
1 {-14.2227514644 -5.48612762801 3.61906353954} hc 0.052999999999999999 H23 1 0
1 {-12.3749837405 -8.27518708844 8.52166834638} hc 0.1268 H26 1 0
1 {-12.5725313781 -3.41641502652 4.64159674898} hc 0.052999999999999999 H28 1 0
1 {-14.9760499705 -4.82679786829 5.82756925626} hc 0.052999999999999999 H29 1 0
1 {-12.5511063416 -5.6975794234 4.20555591672} hc 0.052999999999999999 H30 1 0
6 {-2.2546652425 -4.12064797726 16.2827039071} c2 -0.106 C29 1 0
6 {-2.93758007433 -2.77231676537 16.1810374899} c2 -0.106 C30 1 0
6 {-3.14259066674 -2.19652274489 17.5736679259} c1oe 0.10700000000000001 C31 1 0
6 {-3.98753402412 -0.929276244895 17.4653205447} c5 0.0 C32 1 0
6 {-1.13223039173 0.847938983824 18.3421764057} cp 0.0 C33 1 0
6 {-1.55943097562 2.19723265268 18.2373644252} cp 0.042000000000000003 C34 1 0
6 {-2.92372049756 2.45847430786 17.9026037814} cp 0.0 C35 1 0
6 {-3.75708768373 1.38621369381 17.6090804858} cp 0.0 C36 1 0
6 {-3.28460244316 0.135662929878 17.7257484011} c5 0.0 C37 1 0
6 {-3.4221659563 3.76103762775 17.8066920448} cp -0.1268 C38 1 0
6 {-4.73393592714 3.96602932103 17.3196568343} cp -0.1268 C39 1 0
6 {-5.53390260714 2.85392075984 16.9659882793} cp 0.0 C40 1 0
6 {-5.0536854298 1.57337440902 17.1680496822} cp 0.0 C41 1 0
6 {-5.85621576495 0.443788632681 16.8775065672} cp 0.0 C42 1 0
6 {-5.3310909546 -0.846189088645 17.116538294} cp -0.1268 C43 1 0
6 {-2.05330293178 -0.150471305405 18.0815979474} c5 0.042000000000000003 C44 1 0
6 {-6.80269050492 3.03408446101 16.4127570016} cp 0.0 C45 1 0
6 {-7.58647430101 1.91383324114 16.0652522728} cp 0.0 C46 1 0
6 {-7.13237401771 0.618350245332 16.3538908748} cp -0.1268 C47 1 0
1 {-2.80925464196 4.60892983765 18.1123893617} hc 0.1268 H36 1 0
1 {-5.12517892836 4.97698763609 17.2127573953} hc 0.1268 H37 1 0
1 {-7.77443960007 -0.244456327272 16.1678267369} hc 0.1268 H40 1 0
1 {-5.96167776725 -1.73788918123 17.0594056939} hc 0.1268 H41 1 0
6 {-4.03852198709 -5.00600765926 12.5577802857} c3 -0.159 C48 1 0
1 {-1.1758842126 -3.98308223834 16.3329278099} hc 0.052999999999999999 H46 1 0
1 {-2.60288048452 -4.64135658622 17.1731426379} hc 0.052999999999999999 H47 1 0
1 {-3.90316641053 -2.88811459857 15.6882350618} hc 0.052999999999999999 H48 1 0
1 {-2.31263287849 -2.0935865253 15.5972316577} hc 0.052999999999999999 H49 1 0
8 {-1.78988659295 -1.64244043198 18.1193279515} oc -0.20200000000000001 O28 1 0
1 {-3.5852684734 -2.92372258842 18.2529093774} hc 0.052999999999999999 H51 1 0
1 {-3.78727726247 -4.01148229154 12.9260610566} hc 0.052999999999999999 H52 1 0
1 {-4.86595555807 -4.93320733791 11.8517800115} hc 0.052999999999999999 H53 1 0
1 {-3.1709417883 -5.43674570965 12.0557413746} hc 0.052999999999999999 H54 1 0
6 {-7.74808132758 -6.90076473645 12.1866276969} c1 -0.052999999999999999 C49 1 0
6 {-8.28807584632 -5.53346260193 12.2116865724} c1 -0.052999999999999999 C50 1 0
6 {-6.76847432228 -4.85340349964 13.97896785} c2 -0.106 C51 1 0
6 {-8.26352909787 -5.0901906383 13.6274462386} c1 -0.052999999999999999 C52 1 0
1 {-8.12192437235 -7.45534865858 13.0464759933} hc 0.052999999999999999 H55 1 0
1 {-6.37724046241 -4.03826269884 13.3684352091} hc 0.052999999999999999 H59 1 0
6 {-8.26515989352 -7.53728132468 10.8992133969} c2 -0.106 C53 1 0
6 {-9.58082567764 -6.76319577566 10.5708644766} c1 -0.052999999999999999 C54 1 0
6 {-9.66520863616 -5.60171251809 11.5950056963} c2 -0.106 C55 1 0
1 {-8.47953596217 -8.59364710455 11.06191563} hc 0.052999999999999999 H56 1 0
1 {-7.54024803111 -7.41525049313 10.0963357183} hc 0.052999999999999999 H58 1 0
1 {-9.53776523108 -6.36515485919 9.55688217839} hc 0.052999999999999999 H63 1 0
1 {-9.90070867228 -4.66551411108 11.0898873973} hc 0.052999999999999999 H64 1 0
1 {-10.4086967854 -5.82103589717 12.3591351471} hc 0.052999999999999999 H65 1 0
6 {-12.6698293961 -1.00829843177 8.0673314773} c5 -0.17680000000000001 C56 1 0
7 {-12.9964823945 -1.22345296005 6.73291584324} nh -0.29249999999999998 N1 1 0
1 {-12.4892888137 -0.0495926757775 8.5491164878} hc 0.1268 H66 1 0
1 {-13.1396254866 -0.474485126576 5.98708357705} hn 0.39250000000000002 H67 1 0
6 {-8.81454573464 2.09546467478 15.4370295075} cp 0.042000000000000003 C57 1 0
6 {-9.27945001003 3.37711621919 15.1726776103} cp 0.0 C58 1 0
6 {-8.5243792531 4.49739946826 15.5577747994} cp -0.1268 C60 1 0
6 {-7.28341742799 4.32086624836 16.176840184} cp -0.1268 C61 1 0
1 {-8.9043876734 5.50190556252 15.3771215448} hc 0.1268 H73 1 0
1 {-6.6919557042 5.186794812 16.4738400937} hc 0.1268 H74 1 0
6 {0.306888749807 0.497200602532 18.7094236322} c2 -0.106 C62 1 0
8 {-0.588650388514 3.32786053528 18.453702774} oc -0.20200000000000001 O1 1 0
6 {0.0803073967054 3.17568666836 19.7883919875} c2oe 0.054000000000000013 C63 1 0
6 {-0.987461598178 2.9756659194 20.8662185343} c2 -0.106 C64 1 0
6 {-1.26704470757 4.3105083863 21.5574465083} c2 -0.106 C65 1 0
6 {-2.10202337364 4.05380389357 22.8122228598} c1 -0.052999999999999999 C66 1 0
6 {-1.80238202215 5.11281457937 23.8994741551} c5 0.0 C67 1 0
6 {-5.16142291218 6.11688363972 23.6457466081} cp 0.0 C68 1 0
6 {-5.25083451005 7.15406378219 24.6220902747} cp -0.1268 C69 1 0
6 {-4.06724931709 7.55503141995 25.3498119591} cp 0.0 C70 1 0
6 {-2.85734985843 6.85172166032 25.1130541802} cp 0.0 C71 1 0
6 {-2.8659571561 5.84311123397 24.1932203435} c5 0.0 C72 1 0
6 {-4.15235204239 8.72812488987 26.3737344879} c1 -0.052999999999999999 C73 1 0
6 {-2.76978859282 9.04052243067 27.0084762108} c_0 0.4214 C74 1 0
6 {-1.56061683527 8.14500539697 26.7352563297} cp 0.0 C75 1 0
6 {-1.64117134988 7.13469146559 25.7866514762} cp 0.0 C76 1 0
6 {-0.490568180747 6.35546919138 25.4867121059} cp 0.0 C77 1 0
6 {-0.58083712009 5.32384918616 24.5244492778} cp -0.1268 C78 1 0
6 {-3.94096152515 5.4826457225 23.4874108952} c5 0.0 C79 1 0
6 {-0.35123703905 8.36082454524 27.4335440557} cp 0.042000000000000003 C80 1 0
6 {0.78482138338 7.59546709462 27.1292987531} cp -0.1268 C81 1 0
6 {0.719148409723 6.60895226398 26.1408017026} cp -0.1268 C82 1 0
1 {1.71858733612 7.76414436218 27.6707093733} hc 0.1268 H81 1 0
1 {1.6109797669 6.04384247639 25.8754916433} hc 0.1268 H82 1 0
1 {0.282650798857 4.70672629193 24.2856625202} hc 0.1268 H83 1 0
1 {0.65286119365 -0.319769946115 18.0756640258} hc 0.052999999999999999 H71 1 0
1 {0.943646797538 1.36648825484 18.5618558566} hc 0.052999999999999999 H72 1 0
1 {0.656983178603 4.07408717559 20.0109062369} hc 0.052999999999999999 H84 1 0
1 {0.74505844026 2.31286610308 19.770810151} hc 0.052999999999999999 H85 1 0
1 {-0.63431629659 2.25458202103 21.6011799589} hc 0.052999999999999999 H86 1 0
1 {-1.90307984146 2.60780320098 20.406110541} hc 0.052999999999999999 H87 1 0
1 {-1.81911252208 4.96384122516 20.8799567523} hc 0.052999999999999999 H88 1 0
1 {-0.325421443471 4.78409355631 21.8346019753} hc 0.052999999999999999 H89 1 0
1 {-1.94207122635 3.04448889518 23.1928493631} hc 0.052999999999999999 H91 1 0
1 {-4.84682029206 8.45508525792 27.1665966158} hc 0.052999999999999999 H95 1 0
6 {-6.40283197503 5.69274496296 22.7955368214} c2 -0.106 C83 1 0
6 {-6.11057778511 5.89246142295 21.2794402588} c2 -0.106 C84 1 0
6 {-8.05038340976 7.40786247196 20.4346082103} cp 0.0 C85 1 0
6 {-7.4453653577 6.10206495808 20.5069329458} cp -0.1268 C86 1 0
6 {-8.10066118968 4.98019625957 19.8359330632} cp -0.1268 C87 1 0
6 {-9.24580812775 7.50851354176 19.7480097311} c5 -0.050000000000000003 C88 1 0
6 {-9.82009108968 6.4509772792 19.172999945} c5 0.0 C89 1 0
6 {-9.33456478907 5.21542914392 19.166824726} cp 0.0 C90 1 0
6 {-10.9473461871 6.81005228138 18.5987544498} c5 0.0 C91 1 0
6 {-11.7273060066 5.99349923554 17.9136333042} cp 0.0 C92 1 0
6 {-11.3487741229 4.61359126926 17.8500952948} cp -0.1268 C93 1 0
6 {-10.0958131917 4.21285430857 18.4842752424} cp -0.1268 C94 1 0
6 {-11.1657490125 8.1143113165 18.7903465348} c5 -0.050000000000000003 C95 1 0
6 {-12.3101291657 8.73775111473 18.3255463345} cp 0.0 C96 1 0
6 {-13.1770867095 7.94678060245 17.4933088751} cp 0.042000000000000003 C97 1 0
6 {-12.8604576311 6.54381102136 17.2739440668} cp 0.0 C98 1 0
1 {-7.65042776358 3.9867893856 19.8420822662} hc 0.1268 H98 1 0
1 {-11.9897907835 3.87683281601 17.3624410224} hc 0.1268 H105 1 0
1 {-9.74649051043 3.18099896954 18.4312438134} hc 0.1268 H106 1 0
1 {-7.26105515292 6.29939478726 23.080248954} hc 0.052999999999999999 H108 1 0
1 {-6.62653926214 4.64146594983 22.9825061391} hc 0.052999999999999999 H109 1 0
1 {-5.47270031856 6.76591231505 21.1442707099} hc 0.052999999999999999 H110 1 0
1 {-5.60282881006 5.00965520552 20.8882715668} hc 0.052999999999999999 H111 1 0
6 {-13.7111621102 5.68062979571 16.3435784887} c2 -0.106 C100 1 0
6 {-12.7680901126 4.89839972049 15.4205300813} c2 -0.106 C102 1 0
6 {-13.5456756037 3.82599028806 14.7055179006} cp 0.0 C103 1 0
6 {-14.870501419 4.05540246204 14.3638572782} cp -0.1268 C104 1 0
6 {-15.5827299613 3.09332843391 13.6706788437} cp -0.1268 C105 1 0
6 {-12.9285993876 2.62295036682 14.3839417918} cp 0.042000000000000003 C106 1 0
6 {-13.6364178365 1.65319314601 13.6670140527} cp 0.0 C107 1 0
6 {-14.9689204738 1.89076812527 13.3194236064} cp 0.0 C108 1 0
6 {-13.0234269561 0.44140177025 13.3097005432} cp 0.0 C109 1 0
6 {-13.7549207468 -0.535107015559 12.6295026432} cp 0.0 C110 1 0
6 {-15.0845113254 -0.277680340372 12.2606925563} cp -0.1268 C111 1 0
6 {-15.688573002 0.936109313823 12.6267773626} cp 0.042000000000000003 C112 1 0
6 {-11.6860792275 0.204539601771 13.6422503646} cp 0.1137 C113 1 0
7 {-11.0802573866 -0.984414336602 13.2833066555} np -0.48099999999999998 N3 1 0
6 {-11.8099541202 -1.99147755665 12.6790950547} cp 0.24049999999999999 C115 1 0
6 {-13.1531356727 -1.76825936099 12.3237008024} cp -0.1268 C116 1 0
1 {-16.621272772 3.27665036864 13.3987349779} hc 0.1268 H104 1 0
1 {-15.3502340193 4.99123734667 14.6462735914} hc 0.1268 H112 1 0
1 {-11.1208452613 0.955997793828 14.1847734691} hc 0.1268 H114 1 0
1 {-15.6451065092 -1.01331401374 11.6838291306} hc 0.1268 H118 1 0
6 {-12.6293872643 10.219680491 18.6585900894} c2 -0.106 C117 1 0
6 {-13.2546830862 10.3225189547 20.0787591736} c2 -0.106 C118 1 0
6 {-12.1435196554 10.2140155723 21.1583029996} c1 -0.052999999999999999 C119 1 0
6 {-12.6823291945 9.37375629746 22.3695913196} c2 -0.106 C120 1 0
6 {-11.6396070908 9.43459960589 23.4671018796} c1 -0.052999999999999999 C122 1 0
6 {-11.5676335858 10.8326191468 23.9564465899} c1 -0.052999999999999999 C123 1 0
6 {-11.717535325 11.6768077925 21.6208861798} c1oe 0.10700000000000001 C124 1 0
6 {-10.8759060178 10.7643005451 25.3316130511} c1oe 0.10700000000000001 C125 1 0
8 {-9.36820512872 10.9290451232 25.2012706199} oc -0.32000000000000001 O15 1 0
6 {-11.2445963656 9.33822425733 25.8785233781} c2 -0.106 C127 1 0
6 {-8.99925109353 12.4099730303 25.2289781375} c2oe 0.054000000000000013 C128 1 0
6 {-9.53183035336 15.2383935291 26.6911362706} cp -0.1268 C129 1 0
6 {-10.0702850463 18.9035735717 27.1059739927} cp 0.0 C130 1 0
6 {-8.7850020074 19.3240651193 27.4554943282} cp -0.1268 C131 1 0
6 {-7.75162240591 18.40510919 27.5380933203} cp 0.0 C132 1 0
6 {-7.99915079791 17.0609758857 27.2761563559} cp 0.0 C133 1 0
6 {-9.30280254084 16.6207255064 26.9455408775} cp 0.0 C134 1 0
6 {-6.45481145264 18.8329004046 27.8612256285} cp 0.042000000000000003 C135 1 0
6 {-5.38810539882 17.908413684 27.8460983152} cp -0.1268 C136 1 0
6 {-5.65346531381 16.5518913402 27.5634212584} cp 0.0 C137 1 0
6 {-6.9651453775 16.1459435801 27.3261356831} cp 0.0 C138 1 0
6 {-7.23333921948 14.831285427 27.1013815927} c5 0.0 C139 1 0
6 {-8.45330170647 14.3678342375 26.8238610846} c5 0.0 C140 1 0
6 {-10.3363286222 17.5456978865 26.864505801} cp -0.1268 C141 1 0
6 {-4.61202007139 15.5777593348 27.5180381175} cp 0.0 C142 1 0
6 {-4.9494826281 14.2089440831 27.3376560345} cp 0.0 C143 1 0
6 {-6.30937290914 13.8837995985 27.1208495715} c5 0.0 C144 1 0
1 {-11.3451252996 17.2199138713 26.6156957687} hc 0.1268 H120 1 0
6 {-3.9433017538 13.2320115019 27.3634156965} cp 0.042000000000000003 C145 1 0
6 {-3.27216248654 15.9561961212 27.6497364065} cp -0.1268 C146 1 0
6 {-2.26361895996 14.9814048345 27.6035654816} cp 0.0 C148 1 0
6 {-2.59431375688 13.6265274333 27.4455315253} cp 0.0 C237 1 0
1 {-14.3638707311 6.31684107084 15.7443866114} hc 0.052999999999999999 H129 1 0
1 {-14.3140122085 4.98535164499 16.9303498649} hc 0.052999999999999999 H130 1 0
1 {-12.3306805726 5.57392528148 14.6883118113} hc 0.052999999999999999 H135 1 0
1 {-11.9793328017 4.43942552774 16.009042273} hc 0.052999999999999999 H136 1 0
1 {-11.7130886946 10.8058327487 18.6230639443} hc 0.052999999999999999 H138 1 0
1 {-13.9748406401 9.51598527049 20.2170745099} hc 0.052999999999999999 H139 1 0
1 {-13.7647928446 11.2828173632 20.1803332493} hc 0.052999999999999999 H140 1 0
1 {-11.2799532009 9.70943145803 20.7298277584} hc 0.052999999999999999 H141 1 0
1 {-12.83863339 8.33954566085 22.0621249638} hc 0.052999999999999999 H142 1 0
1 {-13.6206274515 9.79928269126 22.7269925382} hc 0.052999999999999999 H143 1 0
6 {-11.9630665751 8.5963124439 24.701276195} c2 -0.106 C231 1 0
1 {-12.6181200649 12.2621475976 21.8085752213} hc 0.052999999999999999 H154 1 0
1 {-11.2781794826 11.530592221 25.9894462254} hc 0.052999999999999999 H155 1 0
1 {-10.3426900248 8.79797235139 26.1669000403} hc 0.052999999999999999 H158 1 0
1 {-11.9188219561 9.42687342332 26.7314742546} hc 0.052999999999999999 H160 1 0
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