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org.jmol.minimize.forcefield.mmff.validate.mmff-validation-energy.dat Maven / Gradle / Ivy

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AGLYSL01	26.87431
AMHTAR01	66.18011
AMPTRB10	-18.73262
ARGIND11	-207.43598
BAOXLM01	278.92570
BBSPRT10	-13.55387
BEVJER10	18.75343
BEWCUB	52.60970
BEWKUJ04	-4.78796
BIHKEI01	-42.47323
BIPDEJ02	-70.08179
BIPJUF10	33.27498
BIPYCL01	148.41423
BITNAT10	65.11954
BIYBIU10	51.30021
BODKOU	23.36915
BSALAP01	6.84068
BUPSLB10	56.93022
BUPSLD10	-16.46525
BUYTIY10	122.43528
BUYTOE10	144.89777
BUYXEY10	-2.24767
BYITOT02	27.10908
CABWEH10	64.52122
CAFORM07	0.01281
CAGREH10	-259.51340
CALXES20	-35.97705
CAMALD03	36.83909
CEFMEN	33.08425
CETROI01	126.08934
CEWCUC10	113.91582
CEWVIJ10	-123.17150
CEWYIM30	66.77530
CIHWUL10	15.14485
CIJXOI10	27.48125
CIKSEU10	-38.93481
CILBII	-46.87953
CILDOQ	-33.26989
CILWUP11	0.68501
CIMRUL10	39.87555
CINVIE	38.90984
CIPVOM	-2.84100
CIPYAB10	34.87235
CISMOG	32.82537
CISPOJ	69.57227
CITDIS	32.12371
CITNOI10	32.01892
CITPEA10	34.82777
CITSED10	28.49078
CIVCEP02	-182.12144
CIVLAU02	16.12615
CIXWAH	-15.95417
CIYNUT	68.95129
CIZFIA	-18.99671
CIZJAW	7.48409
CIZWUD	30.42557
CIZYEP	47.66782
CIZZUG	-49.57596
COBKIN01	9.80521
COCXUN	24.42247
COGDEH	106.99152
COGYAY	39.56560
COHKOZ	58.62058
COJFIQ	74.97484
COKDEL	11.80918
COKROJ	46.31871
COLZUY	43.67995
COMDIR	46.29230
COMKAQ	-7.61770
COMWOQ	31.05100
COMWUW	23.74581
CONBAI	-127.16493
CONFAM	-44.68386
CONLIA	40.26758
CORDOC	57.69573
CORWUB10	-84.01803
COSFAR	0.08159
COSSEI	-73.95317
COSWIQ	27.25872
COTMON	23.49300
COTPEG	43.95150
COTRIM	46.34354
COVHUQ	-34.84357
COVMAB	54.88679
COVXIU	-136.04527
COWTIR	-71.22739
COXBAS	-5.38669
COXZEU	-142.02636
COYMOS	2.84235
COYNAF	78.55952
COYVIV	-76.17420
CUBTUO	62.99488
CUCDAF	62.58536
CUCHOX	12.51668
CUCHUD	107.86578
CUDJAM	64.03198
CUDNEU	46.57412
CUDPAS	122.63660
CUDPOG	39.36271
CUDREY	-26.29199
CUFFAK	48.34575
CUGBEL	-6.31517
CUGGOA	90.33658
CUGLOF	25.29487
CUJYUB10	77.34274
CULGEV10	6.39875
CULHIA10	22.96006
CULVEK	-28.97125
CUNVAI	124.07957
CUNVEM	34.52853
CURZIY	39.43648
CUVFOO	-43.92628
CUVGAB	78.85250
CUVJOS	97.11218
CUYRAP	43.42514
CYANAM01	-36.48459
CYGUAN01	-254.74397
DABHAP	-61.26979
DABLIB	-0.78636
DACSAB	-81.87365
DACYIP	7.01608
DADDAN	-14.11976
DADLAV	31.84138
DADLEZ	39.20451
DAFKIE	18.68792
DAFPUV	31.94967
DAGTUA	65.93412
DAHBAP	41.42849
DAHNAB	1.89669
DAJXER	-80.97047
DAKBAS	20.14939
DAKCEX	6.83065
DAKDOI	52.07023
DANCUQ	-32.45004
DAPSUO03	65.72509
DARDEF	-16.98389
DARPOB10	-56.15408
DARXID	66.08694
DARZEB	-2.51092
DAVWEC	-44.65652
DAVXED	-64.35191
DAWXII	42.33212
DAWYUV	20.92222
DAYWEF	-244.65194
DAZVEF	69.37451
DEBMOM01	-62.78120
DECJAW	5.45573
DECKUR	-59.58237
DECRIM	-36.93866
DEDCIY	42.76261
DEDSIO	1.32068
DEFGIE	30.40441
DEFLEF	-296.27657
DEFPUZ	-103.20611
DEFTUD	-19.28221
DEFVAL	13.92912
DEFYUI	17.23114
DEGLUW	-57.99964
DEGRIQ	-13.92177
DEKRUG	-50.14814
DEMBIG	23.79651
DEPKEO	96.11090
DERZUV	72.73796
DESWUT	41.10067
DESYOP	26.36673
DEWHOC	87.84014
DEWJEU	45.49318
DEXCIS	-6.20874
DEXGIW	-60.11998
DEZDUH	50.63786
DEZNIF	85.50222
DEZXEL	15.13713
DHOADS01	37.43734
DICKIJ	69.01570
DICPUA	39.00857
DICRAI	22.87059
DICYIX	-1.45480
DICYOD	14.86818
DIDYOE	60.09139
DIFSIU	83.35147
DIGCOL	34.17032
DIGCUR	-17.62974
DIGLEK	87.73651
DIHTET	9.87683
DIKGAF	-14.94346
DIKGEJ	-4.20762
DIKWID	145.34404
DIKYUR	37.45468
DILCOQ	-52.82481
DIMYIH10	61.29056
DIPDAH10	7.20477
DIPDIP10	-35.68081
DIRMIA	2.70519
DISHES	13.80187
DISJOE	76.64152
DITRAZ	25.28388
DITYAG10	46.54242
DIVJUN	86.58284
DIVTUX	23.87164
DIVVEJ	-315.34316
DIVWEK	47.22938
DIWCOB	179.17218
DIXJEZ	25.43315
DIYDIY	42.18619
DIYPOQ	-48.43392
DIYPUW	22.27500
DIZPUX	9.74056
DMEOXA01	53.54773
DOCCIH	99.11440
DOCFIK	132.94633
DOCWUN	83.14102
DODNOZ	-309.76326
DODNUF	-196.30290
DOJPAT	23.11220
DONFOB	-154.02320
DOSNOO	-156.15561
DOTNIJ	40.54214
DOTVEN	-218.60040
DOTWOY	-2.76358
DOWDEY	-104.77712
DOXXAP	-15.64479
DOXZOF	65.56067
DOZFON	167.54961
DOZNIP	-239.04493
DUBNET	-20.67230
DUDMUK	52.64434
DUGMUN	83.65885
DUGWIL01	-157.51276
DUJHEV	4.35715
DUJMEA	143.61644
DUKVAG	-37.53122
DUKWUB	-0.47215
DULTIN	79.77418
DUMHIC	42.98219
DUMPAC	-47.19370
DUPHEB	31.37985
DUPTAJ	113.43678
DURDID	71.65295
DUTHIJ	136.91955
DUVHUX10	64.08285
DUVXIB	-72.46526
DUWGAD	-12.37378
DUWKUB	56.68430
DUWRIW	81.67334
DUXTIZ	97.25524
DUXWUO	54.56841
DUXXAV	76.64426
DUYNOA	66.17564
DUYPES	30.51992
DUYRAQ	65.03902
FACMIF	76.52254
FACREG	113.76824
FACYAJ	41.11543
FADMIG	58.93381
FADVEL	-106.77293
FADVUB	-32.54552
FAGBUK	187.30066
FAGCOF	-87.57240
FAGLII	21.99812
FAGVEO	90.19710
FAGZOC	214.30851
FAHPUZ	-47.69082
FAHSUC	-58.35213
FAHYUI	65.43368
FAHZET	-142.34477
FAJWIW	-217.77066
FAMHAC	-20.44858
FAMYUN	-21.88548
FAPLUD	-389.23990
FARMAM	15.32885
FARSOG	-39.74204
FARWEA	-61.01925
FASGUB	81.36854
FASJIS	41.65550
FATLIV	-56.35494
FAXFUF10	-104.90436
FAXVAB	-172.35653
FAXVEF	42.51885
FAXVIJ	67.72316
FAZBAJ	13.14753
FAZKUM	35.83595
FBATNB	112.60951
FECXEQ	89.73554
FEGSEP	-82.52081
FEHDAX	-17.65295
FEJJEJ	3.65242
FEJKIO	198.60780
FELYIE	17.32218
FELYUQ	68.22311
FEMGEJ	19.89068
FENCOQ	41.71703
FENHAH	35.23240
FENJIR	-21.19718
FENJOX	2.49167
FENJUD	-13.90365
FENNUH	-44.53683
FENYIG	12.36498
FEPWAY	-136.46417
FEPWOM	-15.19947
FESCAH	-66.59850
FESMIZ	70.03626
FETRUR	-433.93729
FETWOQ	-16.43906
FEVNUP	-29.92782
FEYLUQ	-73.24187
FEZPOP	1.20616
FEZRUX	39.90989
FIBLIL	86.78845
FICDOK	87.69205
FIFGUW	41.81489
FIGYID	-4.04373
FIHXID	-36.90498
FIKJAK	42.79221
FIKZOO10	11.54801
FILGEM	17.37940
FILNOD	57.68163
FINBIN	74.95031
FINPEX	1.60801
FITGIY	3.76800
FITSEG	-18.54718
FITTIL	-72.20689
FIVNUT	10.99905
FIVRAD	-71.32750
FIXPIL	19.19788
FIYBIY	-78.13514
FIZGEA	63.61449
FIZGOK	-86.77461
FIZJED	57.67889
FOBJUB01	-5.71683
FODTUN	7.86517
FOGBIM	24.03593
FOGVIG01	-287.57893
FOHXEF	-155.90357
FOHYAC	49.52196
FOJBEL	12.83602
FOJPAV	10.54302
FONCOA	47.11940
FORGOI	30.14956
FORHEZ	19.85843
FORJIF	35.83388
FORJUR	44.65007
FORTAH	87.87463
FOSDIA	44.94385
FOVHUT	-294.74544
FOVJIJ	22.56614
FOVRAJ	104.46793
FOVRUD	96.48010
FOWBEY	27.87889
FOWPOW	60.55950
FOWVES	-7.43616
FOWZAS	41.93185
FOYMAH	-4.87726
FOYNUC	53.98090
FUCMIZ	-25.93021
FUCMUL	18.31930
FUCTIG01	6.41462
FUCWIJ	71.19690
FUCWOP	-33.35464
FUDPOJ	99.29055
FUDXUX	14.66699
FUFDIT	-61.71479
FUGWIN	-8.81522
FUHFAP	15.71718
FUHSEG	22.72121
FULRAF	98.97744
FUNSIQ	-67.11554
FUNXOB	54.89022
FUPJUV	81.27769
FUPKIK	-38.02337
FUPKOQ	67.68032
FUPTOZ	111.63852
FUPZEV	24.61971
FUSPEO	1.30439
FUTCEC	63.33738
FUTZEZ	-8.61144
FUVDOP	28.54770
FUVMUE	55.78149
FUVNEP	72.90969
FUVXOJ	75.49849
FUWMOZ	-206.64659
FUWTUM	32.55406
FUXXAX	-360.41364
FUXZED	-11.21303
GADHEY	43.51385
GAFNUW	48.79520
GAHPIO	26.65978
GAJTEQ	-56.77015
GAKGOO	2.67700
GAKNEL	42.83176
GAKNIP	12.55811
GAKPEN	37.10128
GAKTAN	75.15214
GANHUY	60.73197
GAPMEP	58.68366
GAVKOD	89.18747
GAVMEV	4.85701
GAWWOQ	-109.87689
GEHBOK	-51.42718
GEHPUE	12.98179
GEHXEW	-19.02522
GEJYOJ	-54.17030
GEKXEZ	47.02326
GEMCEG	19.14746
GEMCOQ	37.25987
GEMDAD	67.23109
GERCUB	108.97947
GESCIQ	-29.47462
GESNIB	67.12883
GESSUS	-18.73026
GETFIU	26.71721
GETFOA	35.62475
GETJOE	-70.29989
GEWTAD	51.09590
GEXGIZ	68.34325
GEYWOW	11.93576
GICTIV01	115.40014
GIDJUY	3.48286
GIDMEL	-81.78540
GIDTIW	-196.65519
GIFRAO	14.02576
GIGCEE	42.32187
GIGMUE	44.82306
GIHZEC	18.85082
GIJMOB01	24.15189
GIKJIT	37.86562
GIKNOD	-25.31661
GIKTUP	-36.16502
GIMJIV	85.50402
GINMUL	-6.11131
GIPHES	-25.55737
GIRDOA01	-12.93127
GOHVUU	-157.88177
GOJCIR	130.47050
GOJKIZ	19.84592
GUANCH01	-102.11644
HYTPRD01	41.66664
ISTZCN10	-33.40207
JABGAU	58.72261
JADLIJ	24.70380
JADXER	60.29233
JAHKOS	38.38559
JAHTOB	61.73877
JAHYEW	36.60584
JAKGUX	50.86397
JAKJOU	53.34609
JALSOE	36.00393
JAMREU	-90.81299
JANDOR	68.91078
JANMAM	97.69500
JAPFAH	30.49033
JATBIP	-4.42045
JATCOW	-65.81452
JATLOF	-377.45704
JATMEW	-130.46676
JAVGAO	52.27513
JAWJIA	-79.23239
JAWMAV	33.08004
JAWVEI	26.97104
JAWZEM	99.41011
JAZGOG	28.41242
JAZVIP10	-26.12245
JAZZOZ10	-32.67302
JEBFEB01	-30.89478
JECVES	99.89048
JECVUI	-82.36050
JECYIZ	-10.09203
JEFRAN	-210.24982
JEHCUU01	-57.90105
JEHXOJ	88.72617
JELKUG	73.20361
JELREX	-14.54886
JELRIB	-26.11275
JEMHIS	-8.33007
JEMWUT	27.84541
JESFES	-342.47108
JETJUN	-122.48312
JEVXIR	42.45553
JEWFAS	-165.02652
JEWPIK	59.51936
JEXREJ	-92.70123
JEYBUK	2.50214
JIDHIN	47.98424
JIFYUS	-80.05364
JIGCIL	52.17531
JIGRAS	46.95941
JIHVEB	83.07172
JIKHUG	-40.26738
JILWUW	116.51674
JINDAL	48.34693
JINDOZ	3.59888
JIRJID	-13.19969
JISZAM	-32.18179
JITMII	36.88547
JIWKOP	13.05414
JIXBAT	58.99277
JIYJAC	32.58200
JIYREO	64.27237
JIYTOA	-14.13829
JIZWUK	-4.13028
JOFDUD	-11.44908
KAFXIY	100.47867
KAGBOJ	78.37129
KAKGOS	27.94946
KAMCUW	-45.49517
KAMJAJ	28.53248
KANWEB	1.60201
KANZOO	15.28037
KAPCUZ	68.97469
KARYAD	31.61636
KASBAH	-77.62909
KASBOV	7.17020
KATNAU	157.86556
KAVFUI	93.83083
KAVTEG	-0.39200
KECSIU	141.51878
KECSUG	146.47715
KEDYAT	14.65953
KEFJEK	7.25573
KEJFOU	-99.02540
KEMFAJ	45.98424
KENHOA	-29.17778
KEPKIZ	61.81628
KESNEB	85.44380
KEWJIF	-24.71146
KHDFRM11	-20.67992
KIBDII	-145.90465
KIBFAC	-21.88719
KICCUU	-8.77274
KICGAE	52.12669
KICLAJ	3.16372
KIGKIU	8.18255
KIKVUV	45.65486
KIMLEX01	0.26622
KINKUN	85.26987
KINTUW	-11.88791
KINWEJ	78.78392
KINWIN	-50.54032
KIRCAP	255.83493
KIRCOD	-4.49523
KITREK	-81.64657
KIYGAA	26.60510
KOBXOO	33.68958
KOBYOP	23.88117
KOBZEG	95.02469
KOCWUU	30.67330
KODFUE	18.59940
KOFKIZ	-99.88830
KOFMEX	-65.48715
KOFNIC	-60.92107
KOHVEI	47.44503
KOHVIM	40.77334
KOJGOF	90.29853
KOJKID	2.90851
KOJZOY	-31.79265
KOKMIG	-92.24143
KOLCUJ	117.98880
MAPMIP03	34.02492
MENBZS01	44.15542
METBZC10	29.12095
NAESCB01	-36.35711
NHOXAL06	118.48950
PHOSLA10	112.07078
PHOSLB10	-92.64081
PIMTAZ01	22.57669
QUICNA01	-8.50687
SABNOY	-164.85434
SACXAV	15.28467
SADXAW	-177.99006
SAFFOU	16.71277
SAFFUA	39.61979
SAFKAL	-73.74664
SAHSOJ	29.28905
SAHSUP	-49.72910
SAKGUG	26.03383
SALVEG	-65.30963
SAMFUH	76.00269
SAMXUZ	-64.19365
SANKEX10	98.14771
SAVDOI	22.57240
SAWKEG10	-41.22035
SEBPEU01	60.07828
SECDAF	-6.53837
SEFRAW	-45.24984
SEFYIL	-131.25092
SEGFIT	80.75242
SEGJAP	35.61354
SEGLAR	85.70341
SEGNEX	29.82309
SEGWEG	37.46823
SEHBEM	28.74491
SEJDAM	61.79333
SEKKIC	38.05399
SEKPED	-67.45408
SEKPIH	9.55143
SELFIY	77.47071
SEMDIX	-30.86340
SEMXOX	30.67184
SETHAA	-4.49051
SETLIM	74.07649
SEYVUN	43.93074
SEYWUO	-39.99911
SEZMEP	66.22117
SICNUN	55.76478
SICPEZ	38.87320
SICSEC	73.44743
SIDFIU	33.96223
SIDRUS	17.24568
SINMIL	-32.59558
SIYLOB	35.54398
SIZJIU	132.88205
SIZWUT	57.15654
SLFNMB04	-75.26360
SOGVOZ	107.39049
SOHXOC	-153.83106
SOJNEK	-2.22516
SOMKIO	25.04375
SONZIE	-18.83751
SOPZEC	-13.45857
SORBIK	77.59603
SURDOX02	93.02783
TACGIN	79.70690
TACLEO	21.61532
TAFKIU	12.68068
TAFXIH	80.02713
TAFZIJ	44.29657
TAGVIG	-103.49420
TAHMOE	-11.22592
TAJPUP	80.83233
TAJSUS	91.68004
TAJVUV	14.55410
TAJWAC	28.09963
TAKHES	31.54540
TAMMAV	46.27017
TANHAR	51.35225
TAPJUP	19.89126
TAPSAE	34.83021
TCYMPH02	26.38037
TMTCHD01	89.46568
VABLIT	13.61554
VABROF	53.81788
VACRUM	107.76910
VAJFAN	50.90003
VALTEH	-16.71883
VALWOU	-156.37291
VAPZOB10	105.60153
VASDOI	13.85039
VATKAC	88.96469
VAWDUS	-19.81119
VAWMOV	159.94275
VAWWAR	108.23634
VAYKUB	-45.36228
VAZHUZ	53.65497
VECSAX	-44.65044
VEDTED	-201.69887
VEHCOA	26.73428
VEHZOX	-34.32136
VEJWOW	53.96769
VEKMON	28.23453
VENYUI	29.55129
VETWAS	30.41711
VEVDIJ	60.52869
VEWZOM	-9.37968
VEXKOY	67.06387
VEXMOA	101.95271
VEYBIK	-63.59484
VEYWAX	73.03787
VEZBUX	62.20201
VICGAP	5.33694
VICGET	-12.61650
VICKIB	40.26154
VICPOM	-66.75993
VIDKUO	51.29373
VIFFEV	34.35377
VIGPEG	-35.74854
VIGTUA	124.75411
VIHHID	55.16481
VIKVIU	2.63326
VIKYAP	87.86543
VIMHII	0.00000
VIPXAT	-162.40026
VIRBON	-9.52358
VIWCOT	16.54360
VIXRID	37.57932
VIXXOP	52.43194
VIYPAU	81.46682
VOBLAZ	11.51405
VOBWOY	-25.40316
VOFBOH	7.85016
VOFCAU	22.37171
VOJGEG	-18.40802
VOJJIN	-8.99563
VUWXUG	201.69806
VUXGOK	40.70548
VUXPUZ	-50.22075
VUXREL	-4.36876
ZZZIZA01	35.42935
ZZZMVU10	66.05382
ZZZVCQ01	-24.07079
AR14A	5.70457
CA04A	21.28839
CE05A	15.67142
CO01A	0.05416
CO08A	22.31754
HL08A	9.72664
IM02A	7.42929
NC10A	9.82297
NC13A	9.89880
NH10A	0.00000
NH20A	3.64241
NH22A	-1.24400
NH23A	17.23512
OH10A	1.51461
SR01A	0.00000
SR05A	-3.28926
SR07A	12.91164
AN05A	5.28439
AN06A	0.68272
AN08A	-14.52414
AN11A	-5.70233
AN12A	-15.08050
HL11A	4.68132
HL13A	0.88660
NO03A	-0.17493
NX02A	1.89613
OC02A	14.28224
PO02A	0.00211
PO05A	-109.74485
PR01A	0.00000
PR02A	0.18897
PR03A	0.37672
PR04A	6.98708
SI02A	-0.02915
SI03A	-15.26744
SO07A	-80.21965
SO12A	-142.92206
SO15A	14.98726
SO16A	0.62880
SO18A	2.10304
BRMW1	-13.13210
CA2PW3	-129.29119
CLMW1	-14.30054
CU1PW1	-23.88920
CU2PW3	-162.18769
FE2PW3	-156.84605
FE3PW3	-262.64650
FMW1	-20.44875
H3OPW1	-28.28397
KPW1	-18.26556
LIPW1	-32.35420
MG2PW3	-177.29756
NAPW	-24.09511
OHMW1	-21.72690
ZN2PW3	-158.88980
ERULE_01	-21.51511
ERULE_02	29.79957
ERULE_03	-2.93518
ERULE_04	-2.31007
ERULE_05	4.88443
ERULE_06	1.58172
ERULE_07	3.16775
ERULE_08	34.41382




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