14
2H2SO4
S      2.06245   -0.08343    0.14315
O      1.09682    0.12012    1.22104
O      3.37680   -0.60766    0.40833
O      2.17172    1.37142   -0.54561
O      1.41956   -0.97365   -0.99478
H      0.46531   -0.71777   -1.10843
H      2.91861    1.36512   -1.16324
S     -2.06245    0.08343   -0.14315
O     -1.09682   -0.12012   -1.22104
O     -3.37680    0.60766   -0.40833
O     -2.17172   -1.37142    0.54561
O     -1.41956    0.97365    0.99478
H     -0.46531    0.71777    1.10843
H     -2.91861   -1.36512    1.16324
21
3H2SO4
S      3.65310   -0.58515    0.12195
O      4.99270   -1.05749    0.35462
O      2.57808   -0.85934    1.07239
O      3.74443    0.96950   -0.15870
O      3.08804   -1.17566   -1.26767
H      3.81401   -1.20261   -1.90939
H      2.83069    1.35367   -0.20268
S      0.00000    1.17350    0.00000
O      1.23138    1.92061   -0.22415
O     -1.23138    1.92061    0.22415
O     -0.14855    0.20957   -1.24008
O      0.14855    0.20957    1.24008
H      1.03906   -0.23420    1.20481
H     -1.03906   -0.23421   -1.20481
S     -3.65310   -0.58515   -0.12195
O     -2.57807   -0.85935   -1.07238
O     -4.99270   -1.05749   -0.35462
O     -3.08804   -1.17565    1.26768
O     -3.74443    0.96950    0.15869
H     -2.83070    1.35367    0.20267
H     -3.81401   -1.20260    1.90939
30
C8H7N_2H2SO4
C      3.68268   -0.95593    0.45421
C      1.77719   -1.20824   -1.64492
C      2.35400   -1.30337    0.74811
C      4.04040   -0.73916   -0.86292
C      3.09209   -0.85379   -1.90325
C      1.42685   -1.44771   -0.31170
N      0.21125   -1.76947    0.23498
C      1.61948   -1.51876    1.96557
C      0.32618   -1.79781    1.59622
H     -0.67245   -1.78527   -0.26525
H     -0.53682   -2.01773    2.21090
H      2.00734   -1.51442    2.97580
H      4.41259   -0.84258    1.25194
H      5.06185   -0.45972   -1.10649
H      3.39968   -0.65964   -2.92773
H      1.04352   -1.28837   -2.44209
S      0.60196    2.05513    0.15131
O     -0.30054    1.17941   -0.60854
O      0.32072    3.45397    0.31305
O      0.78536    1.46483    1.61892
O      2.04452    1.91929   -0.51161
H      0.94469    0.49243    1.61869
H      2.14888    1.03581   -0.92284
S     -3.30060   -0.47013   -0.32679
O     -4.73532   -0.58737   -0.41040
O     -2.40832   -1.40266   -0.99683
O     -2.83970   -0.55558    1.23134
H     -3.49342   -0.07954    1.76412
O     -2.93891    1.02204   -0.70622
H     -1.95201    1.14263   -0.67975
23
C8H7N_H2SO4
C      2.07184   -0.66248   -1.37297
C      1.57890   -0.82355    1.42282
C      1.67604    0.48140   -0.66262
C      2.21248   -1.85703   -0.69222
C      1.96162   -1.93831    0.69310
C      1.45608    0.38504    0.73020
N      1.07260    1.62598    1.17780
C      1.36291    1.83533   -1.03671
C      0.99030    2.48358    0.11118
H      0.65038    1.79731    2.07558
H      0.67444    3.50916    0.25332
H      1.44095    2.27860   -2.02095
H      2.24632   -0.61221   -2.44492
H      2.50615   -2.75394   -1.23080
H      2.06393   -2.89558    1.19813
H      1.37385   -0.88874    2.48791
S     -2.08930   -0.20414    0.01697
O     -1.66948    0.40867    1.26850
O     -3.45746   -0.55266   -0.25825
O     -1.62240    0.73113   -1.20365
O     -1.22556   -1.54289   -0.20660
H     -0.74051    1.11451   -1.01806
H     -0.35661   -1.44271    0.22695
16
C8H7N
C      0.42331   -1.67623    0.00000
C      1.36629    1.00206    0.00000
C     -0.49291   -0.61358    0.00000
C      1.77741   -1.39571    0.00000
C      2.24458   -0.06684    0.00000
C      0.00000    0.71121    0.00000
N     -1.08863    1.55201    0.00000
C     -1.92558   -0.52629    0.00000
C     -2.24269    0.80044    0.00000
H     -1.05009    2.55635    0.00000
H     -3.21198    1.28295    0.00000
H     -2.63164   -1.34667    0.00000
H      0.07168   -2.70567    0.00000
H      2.49675   -2.21122    0.00000
H      3.31559    0.12190    0.00000
H      1.72768    2.02792    0.00000
33
C9H9N_2H2SO4
C      3.64568   -0.66637   -0.16586
C      1.64170   -0.41797   -2.17091
C      2.35749   -1.17586    0.05795
C      3.91696   -0.04232   -1.36949
C      2.91844    0.09018   -2.35864
C      1.38003   -1.06785   -0.95968
N      0.22074   -1.62096   -0.48551
C      1.71919   -1.79041    1.19454
C      0.42333   -2.03269    0.80754
H     -0.69270   -1.54506   -0.92107
H     -0.38576   -2.48305    1.36861
C      2.36459   -2.13057    2.50014
H      4.41162   -0.74489    0.60210
H      4.90546    0.36831   -1.55638
H      3.15482    0.60258   -3.28788
H      0.87104   -0.30814   -2.92863
S      0.34488    2.05431    0.56967
O     -0.54656    1.41619   -0.40879
O      0.01180    3.31542    1.17068
O      0.60392    1.04222    1.77195
O      1.76668    2.20975   -0.13154
H      0.77374    0.12255    1.45958
H      1.89645    1.50431   -0.79952
S     -3.40252   -0.49043   -0.37122
O     -4.82899   -0.70163   -0.35657
O     -2.53498   -1.14309   -1.33800
O     -2.77473   -0.92992    1.06442
H     -3.39426   -0.65870    1.75756
O     -3.17036    1.07442   -0.37588
H     -2.19413    1.26430   -0.38701
H      2.82005   -1.24559    2.96156
H      1.63392   -2.53993    3.20450
H      3.15806   -2.87590    2.36607
26
C9H9N_H2SO4
C      1.17121   -0.63199    1.54424
C      2.17468   -1.48530   -0.97710
C      1.36061    0.29798    0.51000
C      1.47749   -1.96237    1.30776
C      1.97832   -2.38201    0.05669
C      1.86310   -0.14486   -0.73318
N      1.92121    0.94770   -1.56209
C      1.09700    1.71147    0.39387
C      1.45209    2.05295   -0.88518
H      2.17343    0.92964   -2.53537
H      1.41411    3.02075   -1.36990
C      0.56968    2.60464    1.47125
H      0.76459   -0.31603    2.50116
H      1.32851   -2.69760    2.09424
H      2.20128   -3.43435   -0.09952
H      2.54621   -1.81456   -1.94408
H     -0.39396    2.23637    1.84231
H      1.26294    2.64384    2.32034
H      0.42954    3.62528    1.10222
S     -2.21894   -0.20603   -0.11358
O     -3.52235   -0.46554   -0.66516
O     -2.01159    0.28886    1.23864
O     -1.49335    0.79971   -1.13855
H     -0.70038    1.17684   -0.70237
O     -1.37888   -1.56602   -0.29313
H     -0.58733   -1.52665    0.27831
35
C9H9NO2_2H2SO4_1
C      2.86392   -0.60558    0.85050
C      2.05859   -2.26936   -1.21663
C      1.58678   -1.16179    0.88157
C      3.71552   -0.86632   -0.21117
C      3.31779   -1.69978   -1.25282
C      1.16918   -2.02310   -0.16070
C     -0.18275   -2.61209   -0.19676
N      0.72026   -0.87753    1.94886
O     -0.91780   -2.58466    0.79809
C     -0.68963   -3.24967   -1.45883
H     -0.56656   -2.57903   -2.31446
H     -0.13030   -4.17073   -1.66281
H     -1.74464   -3.49645   -1.33304
H      1.75573   -2.92290   -2.02879
H      4.70408   -0.41464   -0.22069
H      3.98597   -1.90274   -2.08446
H      3.18515    0.03587    1.66307
H     -0.05264   -1.52917    2.04634
C      0.59538    0.29718    2.60263
O      1.25621    1.31260    2.42113
H     -0.19555    0.26708    3.36682
S     -2.81180    0.10318   -0.01311
O     -4.01031    0.77777   -0.43324
O     -1.93154    0.73689    0.98743
O     -1.89484   -0.27392   -1.26367
H     -1.03207    0.23032   -1.20087
O     -3.24437   -1.33319    0.49577
H     -2.44043   -1.89281    0.65252
S      0.65152    2.36981   -0.80519
O      0.88737    3.25476   -1.91271
O      0.41791    0.93014   -1.04811
O     -0.58832    2.91264    0.03308
H     -1.05906    2.15627    0.46446
O      1.87559    2.51043    0.17962
H      1.70516    1.98897    1.01674
35
C9H9NO2_2H2SO4_2
C      1.20488   -0.14443    1.17644
C      3.76127    0.93344    1.23688
C      2.19044   -0.65480    0.33795
C      1.49575    0.91668    2.02238
C      2.77223    1.46559    2.05002
C      3.50316   -0.13881    0.37567
C      4.60734   -0.73166   -0.43507
N      1.89344   -1.72673   -0.53781
O      4.47717   -1.81331   -0.99308
C      5.91306    0.01077   -0.55162
H      5.75184    1.04327   -0.88125
H      6.42011    0.04662    0.42004
H      6.54950   -0.51523   -1.26461
H      4.76050    1.35584    1.28071
H      0.71241    1.31357    2.66188
H      2.99806    2.30119    2.70626
H      0.20991   -0.57665    1.16867
H      2.71097   -2.27412   -0.81233
C      0.75146   -1.92548   -1.19451
O     -0.23742   -1.17948   -1.17321
H      0.74573   -2.84654   -1.79466
S     -1.50106    2.14183   -0.75532
O     -1.42714    3.55458   -1.00448
O     -2.55126    1.31681   -1.37492
O     -1.57561    1.92984    0.81997
H     -1.84291    0.99064    1.01013
O     -0.09908    1.51627   -1.16670
H     -0.15336    0.52680   -1.13540
S     -3.29256   -1.33235    0.56074
O     -4.10475   -2.24566    1.31537
O     -2.17584   -0.62296    1.22081
O     -4.25838   -0.26019   -0.08987
H     -3.71375    0.39872   -0.59635
O     -2.68438   -2.10863   -0.68593
H     -1.80918   -1.71476   -0.93784
28
C9H9NO2_H2SO4_1
C      1.48308   -1.82180    0.82653
C      1.84251    0.86557    1.40878
C      1.41442   -0.87849   -0.19275
C      1.72739   -1.41995    2.13245
C      1.90710   -0.07367    2.42809
C      1.61011    0.48525    0.08525
C      1.56507    1.50746   -1.00616
N      1.11471   -1.30031   -1.51069
O      1.83308    1.20183   -2.15670
C      1.18936    2.91996   -0.65003
H      1.02540    3.48287   -1.57019
H      0.28697    2.92961   -0.02905
H      1.99865    3.39567   -0.08219
H      1.97680    1.91649    1.64771
H      1.77499   -2.16538    2.92221
H      2.09062    0.24589    3.45007
H      1.32999   -2.87024    0.59065
H      1.52957   -0.73074   -2.24345
C      0.03117   -2.03041   -1.83339
H     -0.06099   -2.20508   -2.91648
H     -4.07139    0.36485    0.75541
O     -0.79316   -2.49168   -1.04703
S     -1.99814    0.47227    0.29283
O     -1.61129   -0.93839    0.89022
O     -3.56775    0.29080   -0.06801
O     -1.88829    1.43353    1.37221
O     -1.35228    0.68128   -0.98919
H     -1.29700   -1.56059    0.16023
28
C9H9NO2_H2SO4_2
C     -0.50194    0.77756   -0.18611
C     -3.09925    1.73605    0.01584
C     -1.56151   -0.12840   -0.10047
C     -0.74953    2.14210   -0.16965
C     -2.04714    2.63249   -0.06445
C     -2.89392    0.34960   -0.00123
C     -4.06833   -0.56163    0.07284
N     -1.35115   -1.51602   -0.11998
O     -3.95285   -1.78112    0.01002
C     -5.45111    0.02409    0.22753
H     -5.52021    0.63798    1.13278
H     -5.70356    0.66194   -0.62740
H     -6.16587   -0.79776    0.28795
H     -4.11017    2.12396    0.09181
H      0.09525    2.82231   -0.24338
H     -2.23783    3.70186   -0.05009
H      0.51528    0.42139   -0.27719
H     -2.22065   -2.05381   -0.11816
C     -0.19010   -2.19743   -0.08732
O      0.93132   -1.71623   -0.03161
H     -0.35109   -3.28852   -0.11132
S      3.70782    0.19878   -0.06921
O      2.74169    0.85299   -0.92662
O      5.12962    0.44764   -0.15911
O      3.52974   -1.37902   -0.11979
H      2.56238   -1.60082   -0.11291
O      3.21052    0.55554    1.43814
H      3.92606    0.31822    2.04490
28
C9H9NO2_H2SO4_3
C      3.19435    1.18705    0.11698
C      3.13511   -1.58632    0.16179
C      1.97382    0.53548   -0.12185
C      4.34545    0.46019    0.36276
C      4.32996   -0.93447    0.38625
C      1.94277   -0.88904   -0.10289
C      0.71576   -1.66136   -0.34186
N      0.81146    1.25785   -0.35379
O     -0.30967   -1.11486   -0.75963
C      0.68427   -3.14480   -0.08291
H      1.33879   -3.67188   -0.78671
H      1.02703   -3.37579    0.93105
H     -0.33811   -3.50293   -0.21512
H      3.12160   -2.67163    0.18171
H      5.27493    0.99627    0.54017
H      5.23711   -1.49925    0.58027
H      3.21275    2.26929    0.10904
H     -0.01656    0.70944   -0.56267
C      0.61607    2.61646   -0.28397
O      1.45315    3.46058   -0.05130
H     -0.44322    2.86083   -0.47406
S     -3.08671    0.08503    0.25278
O     -2.86518   -0.15977    1.65732
O     -2.40069    1.17640   -0.42953
O     -4.67387    0.26362    0.06676
H     -4.83606    0.62268   -0.81807
O     -2.90088   -1.25453   -0.59527
H     -1.91930   -1.37311   -0.72604
21
C9H9NO2
C     -1.03785    1.50537    0.00000
C     -1.66585   -1.19727    0.00000
C      0.00000    0.56382    0.00000
C     -2.35950    1.08975    0.00000
C     -2.68669   -0.26401    0.00000
C     -0.31449   -0.82167    0.00000
C      0.73250   -1.87732    0.00000
N      1.33759    0.95280    0.00000
O      1.92935   -1.61141    0.00000
C      0.31864   -3.33052    0.00000
H     -0.28246   -3.56934    0.88492
H     -0.28246   -3.56934   -0.88492
H      1.22203   -3.94209    0.00000
H     -1.92447   -2.25149    0.00000
H     -3.14633    1.84060    0.00000
H     -3.72425   -0.58585    0.00000
H     -0.78570    2.55830    0.00000
H      1.98927    0.16859    0.00000
C      1.86385    2.21361    0.00000
O      1.25784    3.26340    0.00000
H      2.97012    2.17456    0.00000
36
C9H9NO3_2H2SO4_1
C     -2.72914    0.87151    0.77261
C     -1.82367    2.43087   -1.33225
C     -1.41359    1.33274    0.78517
C     -3.56569    1.16614   -0.29058
C     -3.11808    1.94882   -1.35214
C     -0.94423    2.14192   -0.27724
C      0.44554    2.62888   -0.33553
N     -0.56713    1.02280    1.85533
O      1.19941    2.53234    0.64130
C      0.97332    3.24680   -1.59953
H      0.79637    2.59486   -2.46007
H      0.47152    4.20395   -1.78609
H      2.04366    3.42336   -1.48575
H     -1.48209    3.04726   -2.15783
H     -4.58359    0.78510   -0.28490
H     -3.77614    2.18147   -2.18401
H     -3.09280    0.27672    1.60284
H      0.26375    1.60230    1.93126
C     -0.53482   -0.15282    2.52573
O     -1.23681   -1.13765    2.33110
O      0.38477   -0.11861    3.48970
S      2.71992   -0.37792   -0.27064
O      3.81751   -1.16830   -0.76020
O      1.81533   -0.94578    0.74755
O      1.79865    0.13769   -1.46805
H      0.89985   -0.29652   -1.39596
O      3.33028    0.98359    0.25550
H      2.60583    1.63047    0.45710
S     -0.95906   -2.30035   -0.93817
O     -1.38031   -3.16738   -2.00414
O     -0.59741   -0.89742   -1.22673
O      0.27967   -2.96820   -0.19428
H      0.83710   -2.26377    0.22471
O     -2.10419   -2.29991    0.14883
H     -1.81069   -1.78342    0.95211
H      0.43019   -1.00129    3.87809
36
C9H9NO3_2H2SO4_2
C     -4.10169   -1.70051    0.07944
C     -6.46198   -0.25580    0.24022
C     -4.05536   -0.30765   -0.00335
C     -5.31597   -2.35172    0.24208
C     -6.50506   -1.63692    0.32330
C     -5.25801    0.44056    0.07663
C     -5.28601    1.93022   -0.00775
N     -2.85942    0.41048   -0.16722
O     -4.26480    2.58832   -0.16490
C     -6.60394    2.65452    0.10195
H     -7.28917    2.34702   -0.69637
H     -7.09126    2.44158    1.06034
H     -6.41210    3.72525    0.02212
H     -7.39276    0.29833    0.30401
H     -5.32437   -3.43700    0.30432
H     -7.45432   -2.14904    0.45023
H     -3.18926   -2.27614    0.01753
H     -3.00213    1.42673   -0.22366
C     -1.59373   -0.00782   -0.24031
O     -0.72686    0.92970   -0.37449
H      0.26112    0.63075   -0.47212
O     -1.31603   -1.25223   -0.17634
S      2.12805   -1.04627   -0.22151
O      2.48138   -0.93854    1.33364
O      1.01274   -2.03675   -0.24447
O      1.67008    0.30352   -0.66771
O      3.32921   -1.50736   -0.93733
H      3.31637   -0.42070    1.42607
H     -0.29447   -1.52323   -0.21064
S      5.73462    0.70060    0.28519
O      4.83257    0.43372    1.40067
O      7.11064    1.07120    0.51032
O      4.98566    1.87379   -0.53665
H      5.60055    2.21472   -1.20290
O      5.73194   -0.50656   -0.72812
H      4.80323   -0.88063   -0.81739
36
C9H9NO3_2H2SO4_3
C     -2.43526   -2.05139    0.69908
C     -4.88669   -0.75183    0.68022
C     -2.58120   -0.87597   -0.04018
C     -3.50765   -2.56068    1.41603
C     -4.74124   -1.91792    1.41151
C     -3.82958   -0.20364   -0.05775
C     -4.04707    1.05660   -0.82257
N     -1.52988   -0.31156   -0.77222
O     -3.16006    1.56641   -1.49868
C     -5.39372    1.73266   -0.76809
H     -5.34921    2.63386   -1.38085
H     -6.18070    1.07151   -1.14871
H     -5.65401    2.00351    0.26153
H     -5.85000   -0.25187    0.68170
H     -3.37094   -3.47624    1.98619
H     -5.57897   -2.31975    1.97396
H     -1.47897   -2.55677    0.71238
H     -1.79924    0.54868   -1.26241
C     -0.26240   -0.73894   -0.88778
O      0.46183    0.11719   -1.63219
H      1.41073   -0.14364   -1.58936
O      0.21213   -1.76191   -0.40570
S      3.57451   -1.35281   -0.24915
O      2.65283   -2.58682   -0.55573
O      3.26879   -0.97439    1.25823
O      4.94404   -1.76328   -0.35853
O      3.09037   -0.21371   -1.08645
H      1.68598   -2.30116   -0.51477
H      2.52306   -0.31740    1.30523
S      1.61353    2.25104    0.79970
O      1.33784    0.87165    1.24338
O      1.60582    3.34613    1.72588
O      0.55746    2.59619   -0.34658
H      0.43252    1.79844   -0.90464
O      3.01284    2.25324    0.04368
H      3.14779    1.38110   -0.40488
36
C9H9NO3_2H2SO4_4
C     -2.14168   -1.62664   -1.74113
C     -3.83132    0.15682   -0.45476
C     -2.01947   -1.42088   -0.37282
C     -3.10182   -0.93305   -2.46611
C     -3.94812   -0.03713   -1.82379
C     -2.87846   -0.53303    0.29811
C     -2.77552   -0.32474    1.77731
N     -0.98723   -2.08424    0.33790
O     -2.27868   -1.17900    2.49297
C     -3.29360    0.96260    2.35802
H     -3.00192    1.01709    3.40792
H     -2.89562    1.82032    1.80347
H     -4.38796    0.99665    2.29210
H     -4.49398    0.86223    0.03741
H     -3.18721   -1.09622   -3.53733
H     -4.69704    0.51206   -2.38738
H     -1.47057   -2.32380   -2.23398
H     -1.20854   -2.32256    1.30177
C      0.31263   -1.87832    0.07048
O      1.11169   -2.44624    0.94166
H      2.04649   -2.15769    0.81380
O      0.72118   -1.20981   -0.90450
S     -0.13681    2.08200   -0.19548
O     -0.50677    1.12020   -1.39773
O     -0.06887    1.05678    1.05607
O      1.20633    2.63024   -0.38861
O     -1.26034    2.95584    0.01774
H     -0.06069    0.23674   -1.29011
H      0.86411    0.80383    1.19708
S      3.78642   -0.19796    0.01613
O      3.61212   -1.44625    0.75777
O      5.08620    0.39160   -0.14834
O      2.78784    0.82997    0.77399
H      2.59673    1.61811    0.21329
O      3.12061   -0.32299   -1.41279
H      2.22672   -0.75839   -1.29144
36
C9H9NO3_2H2SO4_5
C      2.52641   -2.48807    0.28258
C      4.57952   -0.84924   -0.60285
C      2.38074   -1.10221    0.38412
C      3.67229   -3.03457   -0.27044
C      4.71167   -2.21970   -0.71349
C      3.42609   -0.25370   -0.06477
C      3.33696    1.22256   -0.02152
N      1.24154   -0.54461    0.97275
O      2.33598    1.80495    0.40426
C      4.48901    2.05951   -0.51231
H      5.40631    1.82788    0.04020
H      4.68212    1.86848   -1.57418
H      4.23487    3.11092   -0.37320
H      5.39205   -0.21863   -0.94889
H      3.75769   -4.11593   -0.34368
H      5.61273   -2.65094   -1.13943
H      1.73044   -3.13120    0.63506
H      1.31225    0.44619    1.18062
C     -0.00699   -1.08184    0.98735
O     -0.87565   -0.26017    1.58364
H     -1.81315   -0.59820    1.46016
O     -0.31665   -2.17215    0.53360
S     -3.50151   -1.42667   -0.31960
O     -2.63230   -0.50166   -1.28698
O     -2.71057   -2.78332   -0.48205
O     -3.32177   -0.91561    1.05600
O     -4.83858   -1.62146   -0.81033
H     -2.65311    0.44205   -0.98598
H     -1.80238   -2.65136   -0.09724
S     -1.19214    2.70838   -0.14994
O     -0.97738    4.11221   -0.38044
O     -2.45417    2.07624   -0.52405
O     -0.88253    2.45114    1.39449
H     -0.94181    1.48259    1.56500
O     -0.07791    1.80480   -0.86696
H      0.80762    2.01670   -0.49658
29
C9H9NO3_H2SO4_1
C      1.73147    1.77552   -0.08852
C      4.38269    0.98772    0.09133
C      2.03443    0.40941   -0.06116
C      2.74331    2.72012   -0.02532
C      4.07803    2.33668    0.06535
C      3.39084   -0.00125    0.02952
C      3.79274   -1.43484    0.05937
N      1.04934   -0.57647   -0.12335
O      2.97249   -2.34226   -0.00582
C      5.25570   -1.79194    0.17326
H      5.82584   -1.39219   -0.67326
H      5.69134   -1.38204    1.09172
H      5.34033   -2.87942    0.18524
H      5.42450    0.69180    0.16139
H      2.47874    3.77463   -0.04909
H      4.86901    3.07942    0.11480
H      0.69772    2.08517   -0.15931
H      1.41413   -1.53143   -0.11134
C     -0.29580   -0.43416   -0.18205
O     -0.89175   -1.61069   -0.23655
H     -1.86864   -1.50006   -0.25957
O     -0.89292    0.64543   -0.18250
S     -4.25982   -0.04065   -0.02409
O     -4.18243    0.09138    1.58899
O     -3.37061    1.15335   -0.52563
O     -3.58986   -1.30983   -0.29602
O     -5.61610    0.19872   -0.45439
H     -4.78585    0.79890    1.85962
H     -2.38642    0.92852   -0.38659
29
C9H9NO3_H2SO4_3
C      1.52774    0.84402   -1.77719
C      2.03143   -1.58197   -0.53456
C      1.38882    0.73401   -0.39733
C      1.91029   -0.25653   -2.53058
C      2.16416   -1.47512   -1.91107
C      1.65599   -0.48666    0.24744
C      1.53487   -0.61773    1.73250
N      0.95292    1.85115    0.34880
O      1.66557    0.35465    2.45758
C      1.25233   -1.97812    2.31087
H      1.01271   -1.86619    3.36941
H      0.42249   -2.45551    1.77811
H      2.13475   -2.62265    2.21294
H      2.22360   -2.53829   -0.05710
H      2.01141   -0.15859   -3.60853
H      2.45919   -2.34069   -2.49755
H      1.32027    1.79612   -2.25558
H      1.26463    1.87141    1.31686
C     -0.19482    2.50145    0.06474
O     -0.44636    3.46568    0.95344
H     -1.30398    3.84398    0.72363
O     -0.94084    2.28907   -0.88940
S     -1.90220   -0.93236   -0.04905
O     -1.52049   -0.21507   -1.40496
O     -3.51280   -0.75590    0.00610
O     -1.60830   -2.34214   -0.21405
O     -1.41127   -0.17088    1.08362
H     -1.30568    0.75363   -1.23510
H     -3.90371   -1.42712   -0.57162
22
C9H9NO3
C      0.36482    1.82190   -0.00001
C     -2.23108    0.84643    0.00001
C      0.15871    0.43579   -0.00000
C     -0.71356    2.69058   -0.00001
C     -2.02224    2.21298    0.00000
C     -1.16881   -0.07018    0.00001
C     -1.46666   -1.52642    0.00001
N      1.21657   -0.46657   -0.00000
O     -0.58180   -2.37440    0.00002
C     -2.90574   -1.98791    0.00001
H     -2.91317   -3.07882    0.00001
H     -3.43794   -1.62029    0.88492
H     -3.43794   -1.62028   -0.88490
H     -3.25144    0.47627    0.00001
H     -0.52427    3.76162   -0.00001
H     -2.86539    2.89785    0.00000
H      1.37958    2.19901   -0.00002
H      0.93470   -1.44728    0.00001
C      2.55153   -0.18821   -0.00001
O      3.24473   -1.34811   -0.00001
H      4.17795   -1.10472   -0.00001
O      3.08957    0.89662   -0.00002
19
C9H9N
C      0.66976   -1.50636    0.00002
C      1.78330    1.10455   -0.00000
C     -0.17352   -0.38634    0.00000
C      2.04028   -1.31574    0.00003
C      2.59090   -0.01975    0.00002
C      0.40115    0.90419   -0.00001
N     -0.63222    1.80923   -0.00002
C     -1.60334   -0.22248   -0.00001
C     -1.83075    1.12337   -0.00002
H     -0.53471    2.80919   -0.00003
H     -2.77167    1.66042   -0.00003
C     -2.61890   -1.31791   -0.00000
H      0.25116   -2.51085    0.00003
H      2.70540   -2.17598    0.00004
H      3.67187    0.10001    0.00002
H      2.21131    2.10453   -0.00001
H     -2.51243   -1.96016   -0.88385
H     -2.51245   -1.96014    0.88387
H     -3.63614   -0.91277   -0.00001
7
H2SO4
S      0.00001   -0.00000   -0.16471
O      0.63938    1.10658   -0.83498
O     -0.63941   -1.10657   -0.83498
O     -1.05935    0.67152    0.85708
H     -1.67794   -0.01834    1.14087
O      1.05937   -0.67153    0.85708
H      1.67795    0.01834    1.14087
