14
2H2SO4
S      2.07595   -0.06763    0.12453
O      1.09848    0.15329    1.17802
O      3.37086   -0.60979    0.41500
O      2.22725    1.37374   -0.56081
O      1.43976   -0.94519   -1.01329
H      0.48030   -0.71309   -1.13478
H      2.98718    1.37098   -1.16212
S     -2.07595    0.06763   -0.12453
O     -1.09848   -0.15329   -1.17802
O     -3.37086    0.60979   -0.41500
O     -2.22725   -1.37374    0.56081
O     -1.43976    0.94519    1.01329
H     -0.48030    0.71309    1.13478
H     -2.98718   -1.37098    1.16212
21
3H2SO4
S     -0.19357    2.40137    0.08188
O     -0.21060    1.20409    0.96699
O     -0.35836    3.69655    0.65520
O      1.14203    2.36072   -0.72054
O     -1.33241    2.18575   -0.98446
H     -1.47181    1.23024   -1.19248
H      1.41237    1.41855   -0.94070
S      2.38132   -0.97864   -0.07051
O      3.80370   -1.08660   -0.13472
O      1.64350   -0.16490   -1.04807
O      1.79697   -2.43688   -0.11780
O      1.96464   -0.45369    1.36834
H      1.20130    0.16500    1.30637
H      0.81400   -2.42460   -0.10058
S     -1.98239   -1.32792   -0.05422
O     -1.92899   -0.45088   -1.21492
O     -0.92867   -2.29240    0.14850
O     -2.22525   -0.46735    1.23902
O     -3.32124   -2.16347   -0.07551
H     -4.07167   -1.60450   -0.33102
H     -1.53245    0.25074    1.28773
30
C8H7N_2H2SO4
C      3.69193   -0.96438    0.51638
C      1.85197   -1.25752   -1.63928
C      2.35092   -1.29707    0.77547
C      4.09361   -0.78202   -0.79498
C      3.17869   -0.91599   -1.86341
C      1.45669   -1.46284   -0.31098
N      0.22170   -1.76784    0.20429
C      1.57469   -1.47616    1.97420
C      0.29088   -1.75981    1.56947
H     -0.64813   -1.79392   -0.31919
H     -0.59319   -1.95680    2.15802
H      1.93154   -1.45563    2.99386
H      4.39463   -0.83623    1.33337
H      5.12250   -0.51532   -1.01145
H      3.52105   -0.75313   -2.88016
H      1.14659   -1.35904   -2.45718
S      0.62429    2.07022    0.12783
O     -0.31117    1.18234   -0.56258
O      0.36076    3.47017    0.25004
O      0.85713    1.52412    1.59344
O      2.03035    1.90150   -0.58137
H      0.97023    0.54488    1.63784
H      2.12755    1.01416   -0.98589
S     -3.34172   -0.47310   -0.31968
O     -4.76659   -0.57878   -0.46267
O     -2.43729   -1.42498   -0.92722
O     -2.95905   -0.52653    1.24976
H     -3.63074   -0.04717    1.75718
O     -2.94781    0.99580   -0.71742
H     -1.96188    1.12471   -0.68381
23
C8H7N_H2SO4
C      2.09944   -0.65248   -1.37141
C      1.58267   -0.82795    1.42302
C      1.69062    0.48733   -0.65882
C      2.24000   -1.85025   -0.69299
C      1.97742   -1.93909    0.69095
C      1.45890    0.38413    0.73300
N      1.06583    1.62266    1.18354
C      1.37272    1.84183   -1.03023
C      0.98796    2.48505    0.11837
H      0.62856    1.78598    2.07607
H      0.66883    3.50692    0.26253
H      1.46018    2.28804   -2.01030
H      2.28290   -0.59641   -2.43948
H      2.54346   -2.74177   -1.23113
H      2.08459   -2.89525    1.19262
H      1.37520   -0.89637    2.48578
S     -2.10145   -0.20585    0.01073
O     -1.68195    0.40907    1.25447
O     -3.46623   -0.54137   -0.26322
O     -1.62238    0.71098   -1.20451
O     -1.25432   -1.54529   -0.19745
H     -0.75235    1.12341   -1.02576
H     -0.38821   -1.47819    0.24757
16
C8H7N
C      0.42269   -1.67834    0.00000
C      1.36821    1.00238    0.00000
C     -0.49320   -0.61364    0.00000
C      1.77863   -1.39828    0.00000
C      2.24679   -0.06862    0.00000
C      0.00000    0.71236    0.00000
N     -1.08933    1.55482    0.00000
C     -1.92773   -0.52617    0.00000
C     -2.24457    0.80224    0.00000
H     -1.05033    2.55922    0.00000
H     -3.21138    1.28425    0.00000
H     -2.63051   -1.34643    0.00000
H      0.07013   -2.70539    0.00000
H      2.49645   -2.21246    0.00000
H      3.31586    0.11934    0.00000
H      1.73025    2.02611    0.00000
33
C9H9N_2H2SO4
C      3.66946   -0.69717   -0.11202
C      1.71750   -0.45754   -2.17293
C      2.36765   -1.18488    0.08914
C      3.97971   -0.09996   -1.32165
C      3.00757    0.02914   -2.33843
C      1.41642   -1.08165   -0.95518
N      0.23751   -1.61193   -0.50026
C      1.69143   -1.76801    1.22188
C      0.40061   -2.00062    0.80646
H     -0.66480   -1.53807   -0.95869
H     -0.42875   -2.42723    1.35305
C      2.30265   -2.10297    2.54737
H      4.41337   -0.77173    0.67509
H      4.97680    0.29210   -1.49092
H      3.27546    0.51540   -3.27085
H      0.96980   -0.35629   -2.95235
S      0.35531    2.07258    0.54446
O     -0.54748    1.41807   -0.40285
O      0.03189    3.34282    1.11591
O      0.62558    1.08995    1.75394
O      1.75997    2.20826   -0.17362
H      0.77445    0.15383    1.47778
H      1.89151    1.50708   -0.84558
S     -3.43184   -0.49527   -0.37357
O     -4.85507   -0.68260   -0.41346
O     -2.54134   -1.19419   -1.27374
O     -2.88307   -0.88982    1.09482
H     -3.52070   -0.59550    1.76209
O     -3.17101    1.05433   -0.42885
H     -2.19578    1.25158   -0.43467
H      2.77987   -1.22727    3.00017
H      1.54726   -2.47230    3.24559
H      3.06966   -2.87756    2.44176
26
C9H9N_H2SO4
C      1.18470   -0.63143    1.54241
C      2.20233   -1.46835   -0.98250
C      1.36352    0.30381    0.50896
C      1.50986   -1.95860    1.30370
C      2.01701   -2.37002    0.05097
C      1.87099   -0.13109   -0.73662
N      1.91721    0.96542   -1.56348
C      1.08381    1.71511    0.39625
C      1.43573    2.06508   -0.88286
H      2.16310    0.95111   -2.53873
H      1.39051    3.03249   -1.36331
C      0.55378    2.60114    1.48064
H      0.77921   -0.32087    2.49975
H      1.37580   -2.69501    2.08923
H      2.25590   -3.41659   -0.10572
H      2.57897   -1.79057   -1.94776
H     -0.39196    2.21220    1.87093
H      1.26142    2.66300    2.31415
H      0.38074    3.61478    1.11021
S     -2.22694   -0.21655   -0.11380
O     -3.53192   -0.47773   -0.64329
O     -2.00613    0.29859    1.22206
O     -1.51066    0.76255   -1.15430
H     -0.72686    1.17966   -0.73890
O     -1.39866   -1.57347   -0.27548
H     -0.60773   -1.55673    0.29759
35
C9H9NO2_2H2SO4_1
C      2.88248   -0.55749    0.79289
C      2.08615   -2.31191   -1.20737
C      1.61440   -1.13699    0.85859
C      3.72911   -0.84291   -0.26849
C      3.33578   -1.72091   -1.27667
C      1.20206   -2.04386   -0.14951
C     -0.13829   -2.66101   -0.15193
N      0.75503   -0.83762    1.92964
O     -0.87520   -2.59268    0.84403
C     -0.64015   -3.37461   -1.37756
H     -0.55258   -2.74266   -2.26433
H     -0.06020   -4.28806   -1.54597
H     -1.68479   -3.64397   -1.22541
H      1.78689   -2.99680   -1.99217
H      4.70712   -0.37464   -0.30486
H      3.99800   -1.94060   -2.10621
H      3.20134    0.11782    1.57578
H     -0.00921   -1.49667    2.04978
C      0.63593    0.34085    2.57918
O      1.29830    1.35717    2.38259
H     -0.14640    0.31962    3.34806
S     -2.79505    0.03598   -0.02231
O     -3.98612    0.68441   -0.48374
O     -1.94979    0.71250    0.97041
O     -1.84947   -0.36941   -1.22940
H     -1.02271    0.19660   -1.22509
O     -3.21263   -1.38181    0.51475
H     -2.41480   -1.94379    0.69989
S      0.57075    2.44781   -0.79595
O      0.74235    3.35186   -1.89180
O      0.35790    1.01614   -1.06012
O     -0.63648    2.94266    0.09951
H     -1.11638    2.18072    0.51088
O      1.82011    2.59316    0.13896
H      1.70080    2.07622    0.98800
35
C9H9NO2_2H2SO4_2
C      1.22419   -0.10020    1.14072
C      3.80304    0.93044    1.24841
C      2.21344   -0.62095    0.30950
C      1.52306    0.94976    2.00055
C      2.81063    1.47426    2.05221
C      3.53587   -0.12679    0.36883
C      4.64131   -0.72358   -0.43817
N      1.91108   -1.67730   -0.58586
O      4.49643   -1.78928   -1.02995
C      5.96912   -0.01061   -0.51272
H      5.84404    1.03502   -0.80720
H      6.46751   -0.02858    0.46201
H      6.59631   -0.52816   -1.23782
H      4.80759    1.33289    1.31068
H      0.73841    1.35801    2.62791
H      3.04212    2.29704    2.71920
H      0.22254   -0.51238    1.11668
H      2.72885   -2.22031   -0.87210
C      0.76268   -1.88145   -1.23032
O     -0.24204   -1.15048   -1.17479
H      0.75913   -2.78566   -1.84984
S     -1.57390    2.15018   -0.74693
O     -1.53848    3.55550   -1.00932
O     -2.62692    1.30402   -1.31484
O     -1.58632    1.94994    0.82233
H     -1.84998    1.01752    1.04549
O     -0.18786    1.54731   -1.20338
H     -0.20697    0.55607   -1.18026
S     -3.26362   -1.37883    0.57692
O     -4.01146   -2.31335    1.35951
O     -2.17473   -0.60987    1.19973
O     -4.28577   -0.36650   -0.06274
H     -3.79809    0.32661   -0.57863
O     -2.64799   -2.13573   -0.66407
H     -1.78773   -1.72621   -0.94871
28
C9H9NO2_H2SO4_1
C      1.42304   -1.86178    0.81454
C      1.91777    0.80472    1.41328
C      1.39526   -0.90776   -0.19938
C      1.69769   -1.48098    2.12270
C      1.94575   -0.14580    2.42612
C      1.65399    0.44504    0.08824
C      1.63792    1.48012   -0.99259
N      1.07530   -1.30537   -1.52233
O      1.88893    1.17637   -2.15099
C      1.31057    2.90295   -0.62097
H      1.14365    3.47176   -1.53528
H      0.42266    2.93975    0.01585
H      2.14445    3.35448   -0.07231
H      2.10008    1.84520    1.65836
H      1.71310   -2.23165    2.90583
H      2.15214    0.15620    3.44700
H      1.21510   -2.89798    0.57420
H      1.51762   -0.75077   -2.25100
C     -0.02821   -1.99900   -1.85881
H     -0.12468   -2.15660   -2.94068
H     -4.10485    0.49276    0.70634
O     -0.87157   -2.44796   -1.07887
S     -2.01292    0.50679    0.30478
O     -1.72801   -0.93497    0.85582
O     -3.57035    0.43031   -0.09818
O     -1.87961    1.42313    1.41223
O     -1.31751    0.72051   -0.94228
H     -1.39727   -1.55836    0.13078
28
C9H9NO2_H2SO4_2
C     -0.58863    0.83421   -0.13641
C     -3.22229    1.71533    0.00863
C     -1.62390   -0.10395   -0.06811
C     -0.87962    2.19220   -0.13289
C     -2.19483    2.64316   -0.05862
C     -2.97358    0.33414    0.00497
C     -4.12184   -0.61131    0.07222
N     -1.37097   -1.48732   -0.07606
O     -3.96660   -1.83125    0.04943
C     -5.52926   -0.06695    0.17045
H     -5.65031    0.55461    1.06254
H     -5.77484    0.54549   -0.70232
H     -6.21556   -0.91151    0.22194
H     -4.24368    2.07311    0.06382
H     -0.05613    2.89647   -0.19015
H     -2.41742    3.70450   -0.05531
H      0.44075    0.51218   -0.19629
H     -2.22401   -2.05154   -0.05146
C     -0.19072   -2.13614   -0.09744
O      0.92054   -1.61776   -0.10033
H     -0.31554   -3.22881   -0.10880
S      3.79261    0.21172   -0.05923
O      2.69853    1.06539   -0.44786
O      5.15332    0.46381   -0.45935
O      3.48745   -1.28904   -0.43608
H      2.52077   -1.49732   -0.31730
O      3.73574    0.18471    1.55553
H      4.56722   -0.18444    1.88591
28
C9H9NO2_H2SO4_3
C      3.22569    1.26496    0.04927
C      3.30672   -1.51179    0.07037
C      2.01453    0.55497   -0.04297
C      4.43238    0.59350    0.14705
C      4.48733   -0.80198    0.15847
C      2.05518   -0.87218   -0.03211
C      0.84849   -1.70617   -0.12132
N      0.80153    1.22608   -0.13791
O     -0.27209   -1.19536   -0.24396
C      0.94742   -3.21186   -0.06803
H      1.54471   -3.59339   -0.90120
H      1.41741   -3.54140    0.86275
H     -0.05730   -3.62947   -0.12876
H      3.34976   -2.59455    0.07978
H      5.34800    1.17256    0.21606
H      5.43613   -1.32075    0.23547
H      3.19435    2.34505    0.04320
H     -0.02765    0.64320   -0.21345
C      0.56263    2.58180   -0.12860
O      1.39222    3.46706   -0.05484
H     -0.51687    2.78105   -0.19806
S     -3.25517    0.07089    0.17421
O     -3.55643    0.04590    1.57733
O     -2.31081    1.03457   -0.36536
O     -4.65730    0.23664   -0.57523
H     -4.50409    0.38009   -1.52036
O     -2.86147   -1.36946   -0.35777
H     -1.86756   -1.46149   -0.33165
21
C9H9NO2
C     -1.03916    1.50694    0.00000
C     -1.66773   -1.20009    0.00000
C      0.00000    0.56385    0.00000
C     -2.36196    1.09007    0.00000
C     -2.68897   -0.26512    0.00000
C     -0.31475   -0.82321    0.00000
C      0.73238   -1.87991    0.00000
N      1.33940    0.95556    0.00000
O      1.93252   -1.61345    0.00000
C      0.31919   -3.33619    0.00000
H     -0.27788   -3.57668    0.88475
H     -0.27788   -3.57668   -0.88475
H      1.22399   -3.94318    0.00000
H     -1.92644   -2.25251    0.00000
H     -3.14784    1.83893    0.00000
H     -3.72479   -0.58603    0.00000
H     -0.78993    2.55864    0.00000
H      1.99307    0.17261    0.00000
C      1.86625    2.21758    0.00000
O      1.25639    3.26971    0.00000
H      2.96907    2.18237    0.00000
36
C9H9NO3_2H2SO4_1
C     -2.76751    0.80082    0.73999
C     -1.89382    2.45218   -1.31324
C     -1.46353    1.29910    0.77487
C     -3.60856    1.10921   -0.31800
C     -3.17706    1.93764   -1.35312
C     -1.01069    2.15345   -0.26154
C      0.36637    2.67945   -0.29953
N     -0.61369    0.98377    1.84292
O      1.12480    2.55871    0.67519
C      0.88336    3.35998   -1.53820
H      0.74750    2.72831   -2.41917
H      0.35077    4.30230   -1.70325
H      1.94355    3.57243   -1.40445
H     -1.56407    3.09898   -2.11786
H     -4.61388    0.70138   -0.32977
H     -3.83654    2.17762   -2.17916
H     -3.11885    0.16991    1.54623
H      0.20129    1.58330    1.93979
C     -0.56178   -0.19921    2.49856
O     -1.24813   -1.19640    2.28527
O      0.35306   -0.16583    3.46792
S      2.72164   -0.27995   -0.26595
O      3.82909   -1.03020   -0.77977
O      1.84339   -0.90142    0.73407
O      1.78364    0.24704   -1.43180
H      0.91655   -0.25392   -1.42533
O      3.29187    1.07375    0.28980
H      2.56404    1.71458    0.50492
S     -0.85369   -2.38207   -0.94526
O     -1.20543   -3.27731   -2.00478
O     -0.51626   -0.98489   -1.25393
O      0.36021   -2.99392   -0.13569
H      0.91896   -2.27940    0.26443
O     -2.03331   -2.38412    0.08871
H     -1.78940   -1.87106    0.91145
H      0.42454   -1.05740    3.83243
36
C9H9NO3_2H2SO4_2
C     -4.09704   -1.70957    0.10526
C     -6.49726   -0.32081    0.24701
C     -4.08554   -0.31446    0.01549
C     -5.29766   -2.39017    0.26385
C     -6.50546   -1.70379    0.33603
C     -5.30825    0.40480    0.08673
C     -5.37399    1.89379   -0.00251
N     -2.90336    0.43154   -0.14559
O     -4.36533    2.57930   -0.14725
C     -6.71367    2.58640    0.08647
H     -7.37933    2.26100   -0.71855
H     -7.20572    2.37126    1.03968
H     -6.54444    3.65923    0.00235
H     -7.44008    0.20984    0.30362
H     -5.28017   -3.47301    0.33130
H     -7.44043   -2.23835    0.45991
H     -3.17176   -2.26215    0.05187
H     -3.06632    1.44522   -0.19741
C     -1.62857    0.04137   -0.23337
O     -0.78151    1.00154   -0.37093
H      0.21380    0.73206   -0.45469
O     -1.32273   -1.19867   -0.17810
S      2.11154   -0.95266   -0.26121
O      2.47971   -0.94706    1.28369
O      1.00354   -1.93840   -0.34128
O      1.63397    0.40966   -0.61203
O      3.30291   -1.35373   -1.01298
H      3.34121   -0.48391    1.41439
H     -0.29558   -1.46921   -0.24862
S      5.83075    0.61107    0.30146
O      4.92508    0.24786    1.37647
O      7.22412    0.85456    0.55194
O      5.16385    1.92972   -0.32855
H      5.78392    2.33495   -0.95233
O      5.73398   -0.43289   -0.86232
H      4.79583   -0.78285   -0.95552
36
C9H9NO3_2H2SO4_3
C     -2.54656   -2.05497    0.64051
C     -4.97741   -0.70794    0.65292
C     -2.66041   -0.83885   -0.03985
C     -3.64112   -2.58064    1.31427
C     -4.86325   -1.91384    1.32587
C     -3.89728   -0.14227   -0.04045
C     -4.08231    1.15858   -0.74518
N     -1.58550   -0.26156   -0.73259
O     -3.17696    1.68013   -1.39316
C     -5.41582    1.86369   -0.66835
H     -5.33885    2.79477   -1.22859
H     -6.21083    1.24757   -1.09918
H     -5.68458    2.08529    0.36868
H     -5.92999   -0.19161    0.66584
H     -3.53113   -3.52553    1.83642
H     -5.71499   -2.32815    1.85337
H     -1.60271   -2.58007    0.63950
H     -1.83435    0.61808   -1.19941
C     -0.32199   -0.70383   -0.84283
O      0.43076    0.15830   -1.55228
H      1.36862   -0.14682   -1.54082
O      0.13139   -1.74924   -0.37851
S      3.50966   -1.47804   -0.24310
O      2.53622   -2.66847   -0.50493
O      3.26993   -1.07347    1.25885
O      4.85337   -1.93591   -0.39525
O      3.04041   -0.33498   -1.07154
H      1.57615   -2.35597   -0.47008
H      2.58168   -0.35950    1.34108
S      1.81518    2.28357    0.75404
O      1.51568    0.93566    1.25087
O      1.93076    3.39143    1.64730
O      0.69638    2.65094   -0.30772
H      0.48423    1.86480   -0.85583
O      3.13943    2.19982   -0.10597
H      3.23570    1.30631   -0.52069
36
C9H9NO3_2H2SO4_4
C     -2.15572   -1.62654   -1.74417
C     -3.83972    0.16158   -0.44817
C     -2.02715   -1.41944   -0.37476
C     -3.12133   -0.93293   -2.46519
C     -3.96483   -0.03574   -1.81778
C     -2.88111   -0.52822    0.30028
C     -2.77019   -0.31622    1.77928
N     -0.99560   -2.09223    0.33289
O     -2.27888   -1.17775    2.49532
C     -3.27641    0.97738    2.36193
H     -2.95380    1.04041    3.40083
H     -2.90037    1.83338    1.79394
H     -4.37119    1.00402    2.33252
H     -4.49587    0.86915    0.04604
H     -3.21209   -1.09567   -3.53389
H     -4.71501    0.51239   -2.37685
H     -1.48904   -2.32365   -2.23962
H     -1.22263   -2.36713    1.28527
C      0.30717   -1.90273    0.07361
O      1.09838   -2.51709    0.92405
H      2.03294   -2.22070    0.82189
O      0.73266   -1.20679   -0.88018
S     -0.13321    2.09342   -0.19790
O     -0.47396    1.12506   -1.38992
O     -0.04037    1.07986    1.04753
O      1.18866    2.67351   -0.38928
O     -1.27550    2.93374    0.01352
H     -0.03488    0.23580   -1.29347
H      0.89374    0.84097    1.20868
S      3.78507   -0.20053    0.01577
O      3.56630   -1.41528    0.78535
O      5.09410    0.35457   -0.14305
O      2.80623    0.86405    0.72829
H      2.68118    1.67923    0.19239
O      3.13999   -0.35447   -1.40903
H      2.24137   -0.78673   -1.30492
36
C9H9NO3_2H2SO4_5
C      2.57573   -2.47256    0.30674
C      4.62948   -0.81792   -0.56610
C      2.41433   -1.08519    0.38850
C      3.74509   -3.01251   -0.20659
C      4.78376   -2.19008   -0.64212
C      3.45511   -0.22955   -0.06243
C      3.33308    1.24550   -0.06683
N      1.25890   -0.52756    0.94836
O      2.34287    1.81919    0.40285
C      4.42653    2.09142   -0.67050
H      5.36656    1.95574   -0.12698
H      4.60117    1.82340   -1.71641
H      4.12624    3.13663   -0.60671
H      5.43776   -0.18331   -0.90939
H      3.84741   -4.09156   -0.25865
H      5.69921   -2.61661   -1.03596
H      1.77864   -3.11972    0.64450
H      1.32587    0.46591    1.14952
C      0.01730   -1.07743    0.97677
O     -0.86298   -0.25476    1.56111
H     -1.79544   -0.61272    1.45251
O     -0.28564   -2.18102    0.54046
S     -3.48193   -1.50046   -0.33880
O     -2.66087   -0.56050   -1.31661
O     -2.66703   -2.83059   -0.50972
O     -3.28402   -0.98552    1.02493
O     -4.81734   -1.72720   -0.80107
H     -2.67530    0.38627   -1.02671
H     -1.75842   -2.70497   -0.12522
S     -1.26070    2.73801   -0.11326
O     -1.17377    4.15581   -0.30138
O     -2.44661    2.00648   -0.52448
O     -0.95572    2.46293    1.41799
H     -0.97123    1.49249    1.59039
O     -0.06403    1.97172   -0.83371
H      0.80604    2.23830   -0.46395
29
C9H9NO3_H2SO4_1
C      1.71392    1.76919   -0.07148
C      4.37923    1.00776    0.07962
C      2.03252    0.40470   -0.04835
C      2.71824    2.72496   -0.01945
C      4.05889    2.35477    0.05669
C      3.39538    0.00783    0.02873
C      3.81433   -1.42188    0.05664
N      1.05358   -0.59188   -0.10000
O      3.00088   -2.34075    0.01082
C      5.28555   -1.76418    0.14394
H      5.83524   -1.36327   -0.71294
H      5.73306   -1.35379    1.05410
H      5.37786   -2.84968    0.15484
H      5.42290    0.72243    0.13844
H      2.44360    3.77489   -0.03947
H      4.84082    3.10480    0.09711
H      0.67808    2.06832   -0.13025
H      1.42478   -1.54470   -0.08207
C     -0.29258   -0.46364   -0.16799
O     -0.88189   -1.64575   -0.20999
H     -1.85973   -1.54369   -0.24731
O     -0.89969    0.61501   -0.18656
S     -4.26068   -0.03196   -0.03452
O     -4.24271    0.05959    1.57321
O     -3.36504    1.16765   -0.47468
O     -3.57380   -1.28167   -0.31629
O     -5.59920    0.20605   -0.49990
H     -4.86615    0.74367    1.85769
H     -2.37586    0.93732   -0.36071
29
C9H9NO3_H2SO4_3
C      1.47511    0.85146   -1.80986
C      2.10020   -1.53950   -0.54564
C      1.37108    0.75505   -0.42391
C      1.88684   -0.24464   -2.55768
C      2.20153   -1.44505   -1.92740
C      1.69633   -0.44805    0.23035
C      1.60122   -0.56938    1.71874
N      0.91590    1.86796    0.32061
O      1.71220    0.41612    2.43475
C      1.36977   -1.93385    2.31593
H      1.12002   -1.81323    3.36971
H      0.56331   -2.45411    1.79198
H      2.27749   -2.54225    2.23667
H      2.33511   -2.48067   -0.06102
H      1.96036   -0.15804   -3.63671
H      2.51728   -2.30468   -2.50821
H      1.22003    1.78566   -2.29666
H      1.25700    1.91832    1.27783
C     -0.24852    2.49493    0.05657
O     -0.50045    3.46758    0.93741
H     -1.37541    3.81836    0.72871
O     -1.01677    2.25729   -0.87971
S     -1.90728   -0.96996   -0.02844
O     -1.63203   -0.22609   -1.38375
O     -3.50701   -0.85090    0.11908
O     -1.57913   -2.36196   -0.22482
O     -1.37268   -0.21233    1.07792
H     -1.40099    0.74446   -1.23092
H     -3.92348   -1.51364   -0.45027
22
C9H9NO3
C      0.36725    1.82321   -0.00001
C     -2.23369    0.84940    0.00001
C      0.15884    0.43546    0.00000
C     -0.71165    2.69376   -0.00001
C     -2.02195    2.21708    0.00000
C     -1.17083   -0.06925    0.00000
C     -1.47208   -1.52586    0.00000
N      1.21879   -0.46841    0.00001
O     -0.58652   -2.37762   -0.00000
C     -2.91429   -1.98702    0.00002
H     -2.91888   -3.07655    0.00001
H     -3.44504   -1.62297    0.88485
H     -3.44506   -1.62296   -0.88480
H     -3.25306    0.48158    0.00001
H     -0.52194    3.76263   -0.00001
H     -2.86246    2.90213    0.00000
H      1.37992    2.20077   -0.00001
H      0.93880   -1.45000    0.00002
C      2.55467   -0.19219   -0.00001
O      3.25108   -1.35095    0.00001
H      4.18460   -1.10651   -0.00000
O      3.09469    0.89647   -0.00002
19
C9H9N
C      0.66994   -1.50825    0.00002
C      1.78538    1.10555   -0.00000
C     -0.17328   -0.38640    0.00000
C      2.04218   -1.31735    0.00003
C      2.59348   -0.02050    0.00002
C      0.40152    0.90548   -0.00001
N     -0.63290    1.81173   -0.00002
C     -1.60491   -0.22241   -0.00001
C     -1.83238    1.12481   -0.00002
H     -0.53534    2.81180   -0.00003
H     -2.77110    1.66127   -0.00003
C     -2.62164   -1.32007   -0.00000
H      0.25134   -2.51064    0.00003
H      2.70627   -2.17590    0.00004
H      3.67243    0.09893    0.00002
H      2.21349    2.10349   -0.00001
H     -2.51537   -1.96012   -0.88299
H     -2.51538   -1.96010    0.88300
H     -3.63774   -0.91598   -0.00001
7
H2SO4
S      0.00000   -0.00000   -0.16212
O      0.64538    1.09467   -0.83230
O     -0.64539   -1.09467   -0.83230
O     -1.04904    0.67262    0.85238
H     -1.69000    0.00412    1.13632
O      1.04905   -0.67262    0.85238
H      1.69001   -0.00412    1.13632
