C5 H3 Al N2 O5                          
   1.00000000000000     
    11.9064299577615156   -0.0001440987128610    0.3384258543527929
     0.0004689971505828   16.6533120393082150    0.0001158938847836
    -2.6270940007739561    0.0006666960856459   10.2313700211672458
   Al   O    H    N    C 
     8    44    32    16    40
Direct
  0.0000968377552859  0.4999744315844187  0.5000761328104218
 -0.0000244942445567  0.0000034097591441 -0.0000187063477727
  0.7742085005651953  0.4535350567513497  0.6121807266064422
  0.2259009034807291  0.5464333451401434  0.3879090603608487
  0.2258175462570698  0.9535364062836683  0.8878725045221000
  0.7741134559641222  0.0464278591883165  0.1121047475971635
  0.5000529082366447  0.4999944314248879  0.5000682328525905
  0.4999517234672257 -0.0000095421102539  0.0000241444595507
  0.8902281610903521  0.3865382251573158  0.7030206298053385
  0.1098920607649974  0.6134738020590975  0.2971965695407349
  0.1098069661953968  0.8865057745343108  0.7971521334773937
  0.8901008019262997  0.1134665710351808  0.2028888198600478
  0.3013448094500196  0.9319726223289324  0.7511112629282014
  0.6985424006636757  0.0679336027493873  0.2488140339466004
  0.6986435889544462  0.4320323292320847  0.7488775168030539
  0.3014247850347083  0.5679535974716156  0.2511455890089915
  0.8506283915633680  0.4676172183382038  0.4820007162850595
  0.1495539053552815  0.5322989339212519  0.5181258880796228
  0.1494568413918999  0.9676853711703619  0.0180711552081246
  0.8505007401513422  0.0323331872537897  0.9819001507801817
  0.1697679858389902  0.0510329091972282  0.8022122784008893
  0.8301355327279961  0.9489460739751285  0.1976858608409683
  0.8301742661329219  0.5510559179823629  0.6976811615455472
  0.1698959316925673  0.4489159712869588  0.3023207969085165
  0.6533883179553855  0.5166742806586048  0.5253452756817518
  0.3467308981795990  0.4832476224914254  0.4746103504125535
  0.3466115174995916  0.0167648225563435  0.9744623107112027
  0.6532722470840159  0.9832621948088162  0.0253515539638193
  0.0485590104417951  0.4340400302913739  0.6455031961583144
  0.9515459238433975  0.5659704507461210  0.3547716683527796
  0.9514482915721141  0.9339973304434880  0.8546978092139786
  0.0484372442786421  0.0659816211888500  0.1453168234214496
  0.3017072607500351  0.6408344119585955  0.4734215032840061
  0.6984365742978101  0.3591063773067013  0.5266346308981614
  0.6983151303265086  0.1408226576355547  0.0265367647797286
  0.3016054748172359  0.8591251834568190  0.9734382575771084
  0.0237487530886002  0.0875869933620903  0.8936863452899368
  0.9762384044827084  0.9123911669891538  0.1062601063624440
  0.9762926752131208  0.5876040757608822  0.6062997043021864
  0.0238921992394812  0.4123659110834859  0.3938766783637007
  0.4870230608564973  0.6058788605910893  0.5519300803305964
  0.5131283440429872  0.3941069914524203  0.4482492938282253
  0.5130129828949721  0.1058423638532230  0.9480003803644742
  0.4868635943361773  0.8941395142308910  0.0520554253527858
  0.4882990850137265  0.9626597659202198  0.8237662216326853
  0.5115518504026180  0.0373114657130626  0.1762718203356363
  0.5116903965745131  0.4627857385792727  0.6764075317956310
  0.4883811201387711  0.5372660306181872  0.3237495818336546
  0.7081938059865291  0.5361753149185855  0.2705519678221571
  0.2917967590620418  0.4637779805274292  0.7295711096729349
  0.2916528060920996  0.0363764511765589  0.2295342511408976
  0.7080510716948515 -0.0361561663568036  0.7703802706071847
  0.8002506455336330  0.4875636728463757  0.4017349472940128
  0.1999753491385460  0.5121535806850261  0.5982605480337175
  0.1998394469124194  0.9878358799629252  0.0982268899742786
  0.8000974207794198  0.0123799384760408  0.9016616724433834
  0.6706747289595318  0.5721170421819398  0.5475091391782012
  0.3295554017008882  0.4278526326758208  0.4519885283703521
  0.3294605750642308  0.0721093347725368  0.9514221090847238
  0.6705522840093179  0.9278268213642974  0.0476122216303609
  0.6131508728396006  0.7182872248822365  0.6680884951884076
  0.3868784592273934  0.2817008311723591  0.3320289268170512
  0.3868153104677446  0.2183798087725649  0.8320359954881748
  0.6130648399845068  0.7817713794782477  0.1682318804347690
  0.2274051438625213  0.3417778991203654  0.7320579671440643
  0.7727741976457810  0.6583211978698210  0.2685075559454836
  0.7726289447196991  0.8417273070055371  0.7680953414011487
  0.2272712416169042  0.1581598709230675  0.2319368896187378
  0.9278618856431993  0.2251971898034864  0.7861857300863729
  0.0721665488150441  0.7747799162269271  0.2138366998936767
  0.0721392641487056  0.7252191284486655  0.7138521727366871
  0.9278122331832926  0.2748386372664092  0.2860510330229530
  0.2683774907056787  0.7996650773726020  0.5861540779384368
  0.7316804327512167  0.2003590310077374  0.4135162054760138
  0.7316907890577766  0.2995269990489997  0.9133833135909120
  0.2683785998596552  0.7002305321719342  0.0861312428206998
  0.6309472676605619  0.5405269539293047  0.2881714379278826
  0.3691891307757258  0.4594932123709903  0.7122205836379645
  0.3690064637831880  0.0406683609203709  0.2121117601788121
  0.6308124634622172  0.9594137635193094  0.7880593262865017
  0.6988316492159419  0.5138969824284223  0.1846691292801473
  0.3007626685503464  0.4868616415315394  0.8148829135658295
  0.3007293999812384  0.0136402400918432  0.3150969481451975
  0.6985963085588702 -0.0136781556321018  0.6846050106730058
  0.5391240990502479  0.7509510099136194  0.6598604183828904
  0.4609265490175543  0.2490752834318773  0.3401541475693325
  0.4608796963589100  0.2509749999794027  0.8401349078239868
  0.5390728315388154  0.7490712030548440  0.1599422366187195
  0.5461936502644142  0.8219185290151628  0.7169783885973565
  0.4537853738467852  0.1781147454708328  0.2830284811959864
  0.4537992697006983  0.3219568226574122  0.7830804019621732
  0.5461976128252694  0.6780897267381434  0.2170493690639122
  0.2038275412119666  0.2232143877507862  0.7774326725658308
  0.7962435750767020  0.7767886005571161  0.2228161374832025
  0.7961726987971409  0.7232282470141956  0.7225656134550711
  0.2038068177725969  0.2767054174840721  0.2774119252854462
  0.1701357326676726  0.2986124640457386  0.7460523242072331
  0.8299643066737689  0.7014463586965325  0.2542619332189544
  0.8298640242707841  0.7985901672408918  0.7539892918141223
  0.1700607746826465  0.2013553646251502  0.2459756510903976
  0.0146457382523181  0.2385616197152470  0.7790689907227781
  0.9854616371281901  0.7614550182013997  0.2210624996939506
  0.9853896877941345  0.7385674028649305  0.7209644101158210
  0.0145675374680267  0.2614554396190249  0.2789766207156912
  0.9943809315041825  0.3825431100118274  0.6955966279930248
  0.0057430672480525  0.6174803539294661  0.3046700830271911
  0.0056513950134777  0.8825156367515983  0.8045678644460844
  0.9942600945412985  0.1174741599204469  0.1954406220528750
  0.4024204221147867  0.6541432559027455  0.5360008379005747
  0.5977094243326833  0.3458347723098698  0.4640489731717755
  0.5976024204290137  0.1541075120358133  0.9638947566000042
  0.4023093089402955  0.8458403431453702  0.0360665757236676
  0.1015175434033033  0.1017895131635674  0.8330693944279124
  0.8984671515743724  0.8981914501354296  0.1669105525567416
  0.8984789461171560  0.6018123244905412  0.6668785344165972
  0.1016127238848508  0.3981655299041746  0.3331711988864032
  0.4069084807891262  0.9205592358446388  0.7576829152044753
  0.5929931303388005  0.0794114203823958  0.2422752539742736
  0.5930866120592619  0.4206079420935481  0.7423565141595707
  0.4069761998501079  0.5793725884425677  0.2576967987878090
  0.3604181524634038  0.7947267830039065  0.6176928377735185
  0.6396251056574048  0.2052839520262357  0.3821068632570411
  0.6396348183572298  0.2946608202869916  0.8820367993338879
  0.3604234417136806  0.7052144027421621  0.1177050744767464
  0.1082298817389888  0.1861497188413929  0.7962814153764652
  0.8918658039424963  0.8138242136132985  0.2038270026007218
  0.8917873771612527  0.6861833047505886  0.7036892153825079
  0.1082018949928956  0.3138012678327837  0.2962604229897665
  0.0568257787006670  0.3102261471438891  0.7450469905350530
  0.9432769185957779  0.6898291377466963  0.2552103792772272
  0.9431848263730813  0.8102023409911403  0.7550298109519045
  0.0567225842045973  0.1897948167222487  0.2449249889431723
  0.4370043231214391  0.8494624399229338  0.6919442154630366
  0.5629657093145894  0.1505576551155364  0.3079417114397837
  0.5630140631346625  0.3494484282772291  0.8079687866560814
  0.4370471296488617  0.6504911566626268  0.1919784349417099
  0.4292203940681495  0.7315611368257967  0.5984015121141354
  0.5708684034430188  0.2684518554822590  0.4015205684881819
  0.5708170121046381  0.2315231673615790  0.9014220413438164
  0.4291625655271216  0.7684243977373795  0.0984479456649218
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
