20
arizidiumOH
C               -0.6726      0.5323      0.3175
C               -0.6841     -0.2114     -0.9620
N                0.6484      0.2301     -0.3948
H               -1.0579      0.3001     -1.8724
H               -0.6925     -1.3257     -1.0481
C                1.5068     -0.7680      0.2349
H                2.1470     -0.2907      1.0219
H                2.1640     -1.2358     -0.5442
H                0.8731     -1.5661      0.7066
H                1.8461      1.9730     -0.1508
C                1.4040      1.3376     -0.9628
H                0.7259      1.9702     -1.5935
H                2.2313      0.9397     -1.6076
O               -2.4749     -1.0425     -0.1651
H               -3.1853     -0.7576     -0.7100
H               -1.0375      1.5627      0.3974
C               -0.8956     -0.2686      1.6031
H               -0.1104     -1.0269      1.7020
H               -1.8746     -0.7596      1.5625
H               -0.8613      0.4073      2.4652
20
2.1
C               -0.6683      0.5319      0.3193
C               -0.6985     -0.2146     -0.9586
N                0.6496      0.2271     -0.3963
H               -1.0721      0.2983     -1.8676
H               -0.6913     -1.3278     -1.0457
C                1.5072     -0.7685      0.2364
H                2.1406     -0.2925      1.0297
H                2.1716     -1.2311     -0.5396
H                0.8738     -1.5709      0.7007
H                1.8353      1.9787     -0.1496
C                1.4028      1.3368     -0.9616
H                0.7256      1.9625     -1.5999
H                2.2371      0.9415     -1.5987
O               -2.4891     -1.0406     -0.1810
H               -3.1883     -0.7607     -0.7418
H               -1.0296      1.5634      0.4000
C               -0.8874     -0.2655      1.6078
H               -0.1085     -1.0311      1.7006
H               -1.8713     -0.7473      1.5765
H               -0.8391      0.4109      2.4688
20
2.2
C               -0.6639      0.5315      0.3211
C               -0.7129     -0.2178     -0.9552
N                0.6509      0.2241     -0.3978
H               -1.0862      0.2964     -1.8628
H               -0.6902     -1.3300     -1.0432
C                1.5077     -0.7691      0.2381
H                2.1343     -0.2945      1.0376
H                2.1792     -1.2264     -0.5349
H                0.8745     -1.5759      0.6950
H                1.8245      1.9842     -0.1483
C                1.4016      1.3358     -0.9602
H                0.7254      1.9547     -1.6062
H                2.2429      0.9433     -1.5898
O               -2.5033     -1.0389     -0.1968
H               -3.1914     -0.7638     -0.7736
H               -1.0218      1.5642      0.4026
C               -0.8792     -0.2623      1.6124
H               -0.1069     -1.0352      1.6992
H               -1.8679     -0.7347      1.5904
H               -0.8168      0.4146      2.4721
20
2.3
C               -0.6595      0.5310      0.3230
C               -0.7273     -0.2211     -0.9517
N                0.6521      0.2210     -0.3992
H               -1.1004      0.2944     -1.8579
H               -0.6891     -1.3322     -1.0407
C                1.5081     -0.7697      0.2397
H                2.1279     -0.2964      1.0455
H                2.1867     -1.2218     -0.5302
H                0.8753     -1.5809      0.6892
H                1.8136      1.9898     -0.1471
C                1.4003      1.3349     -0.9589
H                0.7251      1.9468     -1.6125
H                2.2487      0.9450     -1.5808
O               -2.5176     -1.0371     -0.2127
H               -3.1944     -0.7670     -0.8054
H               -1.0138      1.5649      0.4052
C               -0.8711     -0.2591      1.6171
H               -0.1056     -1.0393      1.6981
H               -1.8645     -0.7219      1.6044
H               -0.7946      0.4182      2.4754
20
2.4
C               -0.6552      0.5306      0.3248
C               -0.7417     -0.2243     -0.9484
N                0.6534      0.2180     -0.4007
H               -1.1146      0.2926     -1.8531
H               -0.6879     -1.3343     -1.0383
C                1.5086     -0.7702      0.2413
H                2.1215     -0.2982      1.0533
H                2.1943     -1.2171     -0.5256
H                0.8760     -1.5857      0.6834
H                1.8028      1.9955     -0.1459
C                1.3991      1.3341     -0.9577
H                0.7249      1.9391     -1.6189
H                2.2545      0.9468     -1.5719
O               -2.5318     -1.0352     -0.2286
H               -3.1975     -0.7700     -0.8372
H               -1.0059      1.5657      0.4078
C               -0.8629     -0.2560      1.6218
H               -0.1041     -1.0433      1.6970
H               -1.8607     -0.7094      1.6183
H               -0.7724      0.4216      2.4785
20
2.5
C               -0.6483      0.5211      0.3154
C               -0.7840     -0.2282     -0.9557
N                0.6658      0.2104     -0.4042
H               -1.1354      0.2998     -1.8581
H               -0.7101     -1.3328     -1.0530
C                1.5147     -0.7681      0.2530
H                2.1005     -0.2977      1.0807
H                2.2223     -1.1995     -0.4966
H                0.8863     -1.5947      0.6739
H                1.7940      1.9981     -0.1333
C                1.4061      1.3326     -0.9481
H                0.7369      1.9320     -1.6184
H                2.2718      0.9529     -1.5502
O               -2.5494     -0.9692     -0.2312
H               -3.2040     -0.7693     -0.8459
H               -0.9946      1.5570      0.4053
C               -0.8559     -0.2695      1.6099
H               -0.1207     -1.0805      1.6646
H               -1.8672     -0.6918      1.6219
H               -0.7284      0.3978      2.4700
20
2.6
C               -0.6413      0.5117      0.3060
C               -0.8262     -0.2320     -0.9631
N                0.6782      0.2027     -0.4077
H               -1.1561      0.3069     -1.8631
H               -0.7324     -1.3312     -1.0678
C                1.5207     -0.7661      0.2648
H                2.0795     -0.2973      1.1080
H                2.2504     -1.1820     -0.4676
H                0.8966     -1.6036      0.6645
H                1.7853      2.0008     -0.1207
C                1.4131      1.3311     -0.9384
H                0.7488      1.9249     -1.6179
H                2.2891      0.9589     -1.5285
O               -2.5669     -0.9033     -0.2337
H               -3.2104     -0.7686     -0.8547
H               -0.9832      1.5485      0.4030
C               -0.8491     -0.2831      1.5980
H               -0.1385     -1.1167      1.6324
H               -1.8726     -0.6741      1.6257
H               -0.6851      0.3727      2.4607
20
2.7
C               -0.6344      0.5022      0.2965
C               -0.8685     -0.2359     -0.9704
N                0.6905      0.1951     -0.4112
H               -1.1769      0.3141     -1.8681
H               -0.7546     -1.3297     -1.0825
C                1.5268     -0.7640      0.2765
H                2.0586     -0.2969      1.1354
H                2.2784     -1.1644     -0.4387
H                0.9069     -1.6126      0.6550
H                1.7765      2.0034     -0.1081
C                1.4201      1.3296     -0.9288
H                0.7608      1.9178     -1.6175
H                2.3064      0.9650     -1.5067
O               -2.5845     -0.8373     -0.2363
H               -3.2169     -0.7678     -0.8634
H               -0.9718      1.5397      0.4006
C               -0.8422     -0.2965      1.5861
H               -0.1567     -1.1515      1.6007
H               -1.8764     -0.6566      1.6302
H               -0.6422      0.3470      2.4505
20
2.8
C               -0.6274      0.4927      0.2871
C               -0.9108     -0.2397     -0.9778
N                0.7029      0.1874     -0.4147
H               -1.1977      0.3212     -1.8731
H               -0.7768     -1.3282     -1.0972
C                1.5328     -0.7620      0.2883
H                2.0376     -0.2964      1.1628
H                2.3064     -1.1469     -0.4097
H                0.9172     -1.6215      0.6456
H                1.7678      2.0061     -0.0955
C                1.4271      1.3281     -0.9192
H                0.7727      1.9107     -1.6170
H                2.3237      0.9710     -1.4850
O               -2.6020     -0.7714     -0.2388
H               -3.2234     -0.7671     -0.8721
H               -0.9604      1.5309      0.3982
C               -0.8354     -0.3099      1.5742
H               -0.1759     -1.1853      1.5695
H               -1.8790     -0.6391      1.6348
H               -0.6001      0.3200      2.4396
20
2.9
C               -0.6205      0.4832      0.2777
C               -0.9530     -0.2436     -0.9851
N                0.7153      0.1798     -0.4181
H               -1.2185      0.3284     -1.8782
H               -0.7991     -1.3266     -1.1120
C                1.5389     -0.7599      0.3000
H                2.0166     -0.2960      1.1902
H                2.3345     -1.1293     -0.3807
H                0.9276     -1.6305      0.6361
H                1.7590      2.0087     -0.0828
C                1.4342      1.3266     -0.9096
H                0.7847      1.9036     -1.6165
H                2.3410      0.9771     -1.4633
O               -2.6196     -0.7054     -0.2414
H               -3.2299     -0.7664     -0.8808
C               -0.8285     -0.3235      1.5622
H               -0.9489      1.5221      0.3958
H               -0.1952     -1.2177      1.5386
H               -1.8800     -0.6225      1.6396
H               -0.5590      0.2922      2.4280
20
2.10
C               -0.6135      0.4738      0.2683
C               -0.9953     -0.2475     -0.9924
N                0.7277      0.1722     -0.4216
H               -1.2392      0.3356     -1.8832
H               -0.8213     -1.3251     -1.1267
C                1.5450     -0.7578      0.3117
H                1.9956     -0.2955      1.2175
H                2.3625     -1.1117     -0.3517
H                0.9379     -1.6395      0.6266
H                1.7502      2.0114     -0.0702
C                1.4412      1.3251     -0.8999
H                0.7967      1.8965     -1.6160
H                2.3583      0.9832     -1.4416
O               -2.6371     -0.6394     -0.2440
H               -3.2363     -0.7657     -0.8896
C               -0.8216     -0.3370      1.5503
H               -0.9375      1.5133      0.3934
H               -0.2151     -1.2489      1.5083
H               -1.8798     -0.6061      1.6446
H               -0.5187      0.2636      2.4156
20
2.11
C               -0.6065      0.4643      0.2589
C               -1.0375     -0.2513     -0.9998
N                0.7402      0.1645     -0.4251
H               -1.2599      0.3427     -1.8882
H               -0.8434     -1.3236     -1.1414
C                1.5511     -0.7558      0.3235
H                1.9747     -0.2951      1.2449
H                2.3906     -1.0942     -0.3227
H                0.9483     -1.6484      0.6172
H                1.7416      2.0140     -0.0576
C                1.4483      1.3236     -0.8903
H                0.8087      1.8894     -1.6155
H                2.3757      0.9892     -1.4199
O               -2.6546     -0.5735     -0.2465
H               -3.2427     -0.7650     -0.8983
H               -0.9260      1.5043      0.3910
C               -0.8147     -0.3504      1.5383
H               -0.2353     -1.2788      1.4786
H               -1.8784     -0.5902      1.6498
H               -0.4796      0.2345      2.4025
20
2.12
C               -0.5996      0.4547      0.2495
C               -1.0799     -0.2553     -1.0070
N                0.7524      0.1568     -0.4285
H               -1.2808      0.3498     -1.8931
H               -0.8657     -1.3222     -1.1560
C                1.5571     -0.7538      0.3353
H                1.9537     -0.2947      1.2724
H                2.4185     -1.0767     -0.2937
H                0.9585     -1.6575      0.6078
H                1.7327      2.0166     -0.0449
C                1.4552      1.3220     -0.8806
H                0.8206      1.8822     -1.6150
H                2.3929      0.9952     -1.3980
O               -2.6722     -0.5076     -0.2490
H               -3.2493     -0.7643     -0.9069
H               -0.9146      1.4953      0.3885
C               -0.8078     -0.3638      1.5264
H               -0.2555     -1.3074      1.4496
H               -1.8756     -0.5749      1.6550
H               -0.4414      0.2049      2.3887
20
2.13
C               -0.5926      0.4454      0.2401
C               -1.1220     -0.2590     -1.0144
N                0.7649      0.1492     -0.4320
H               -1.3014      0.3570     -1.8981
H               -0.8879     -1.3205     -1.1708
C                1.5632     -0.7517      0.3471
H                1.9328     -0.2942      1.2997
H                2.4467     -1.0591     -0.2647
H                0.9689     -1.6663      0.5984
H                1.7241      2.0193     -0.0323
C                1.4623      1.3206     -0.8709
H                0.8326      1.8752     -1.6145
H                2.4103      1.0013     -1.3763
O               -2.6897     -0.4416     -0.2515
H               -3.2556     -0.7635     -0.9157
H               -0.9031      1.4863      0.3862
C               -0.8010     -0.3773      1.5144
H               -0.2757     -1.3347      1.4210
H               -1.8717     -0.5607      1.6599
H               -0.4046      0.1745      2.3744
20
2.14
C               -0.5856      0.4359      0.2307
C               -1.1643     -0.2629     -1.0217
N                0.7773      0.1416     -0.4355
H               -1.3222      0.3642     -1.9031
H               -0.9101     -1.3190     -1.1855
C                1.5693     -0.7496      0.3588
H                1.9118     -0.2937      1.3271
H                2.4747     -1.0415     -0.2357
H                0.9792     -1.6753      0.5889
H                1.7153      2.0220     -0.0197
C                1.4693      1.3191     -0.8613
H                0.8446      1.8681     -1.6140
H                2.4276      1.0074     -1.3546
O               -2.7072     -0.3756     -0.2541
H               -3.2621     -0.7628     -0.9244
H               -0.8916      1.4771      0.3837
C               -0.7941     -0.3908      1.5024
H               -0.2959     -1.3609      1.3932
H               -1.8666     -0.5470      1.6649
H               -0.3688      0.1439      2.3595
20
2.15
C               -0.5781      0.4119      0.2214
C               -1.1831     -0.2432     -1.0260
N                0.7868      0.1285     -0.4174
H               -1.3139      0.3938     -1.9037
H               -0.9503     -1.2987     -1.2117
C                1.5857     -0.7174      0.4079
H                1.9000     -0.2325      1.3633
H                2.5044     -0.9989     -0.1654
H                1.0136     -1.6467      0.6556
H                1.7067      2.0236     -0.0479
C                1.4689      1.3010     -0.8707
H                0.8383      1.8243     -1.6320
H                2.4302      0.9896     -1.3579
O               -2.7039     -0.3214     -0.2721
H               -3.2707     -0.6920     -0.9399
H               -0.8766      1.4504      0.4052
C               -0.7999     -0.4406      1.4736
H               -0.3291     -1.4208      1.3363
H               -1.8751     -0.5720      1.6404
H               -0.3542      0.0605      2.3405
20
2.16
C               -0.5707      0.3880      0.2124
C               -1.2019     -0.2236     -1.0301
N                0.7963      0.1154     -0.3991
H               -1.3056      0.4235     -1.9041
H               -0.9905     -1.2784     -1.2378
C                1.6022     -0.6853      0.4572
H                1.8882     -0.1713      1.3997
H                2.5341     -0.9563     -0.0948
H                1.0480     -1.6181      0.7225
H                1.6982      2.0253     -0.0758
C                1.4685      1.2828     -0.8799
H                0.8321      1.7806     -1.6498
H                2.4329      0.9718     -1.3609
O               -2.7007     -0.2672     -0.2898
H               -3.2793     -0.6211     -0.9552
H               -0.8615      1.4227      0.4268
C               -0.8056     -0.4901      1.4443
H               -0.3400     -0.0233      2.3198
H               -0.3623     -1.4786      1.2783
H               -1.8827     -0.5970      1.6167
20
2.17
C               -0.5632      0.3639      0.2034
C               -1.2207     -0.2040     -1.0340
N                0.8057      0.1023     -0.3807
H               -1.2973      0.4530     -1.9044
H               -1.0308     -1.2582     -1.2637
C                1.6186     -0.6532      0.5065
H                1.8764     -0.1103      1.4362
H                2.5637     -0.9137     -0.0242
H                1.0824     -1.5896      0.7895
H                1.6896      2.0268     -0.1037
C                1.4681      1.2646     -0.8890
H                0.8258      1.7367     -1.6675
H                2.4355      0.9539     -1.3639
O               -2.6974     -0.2131     -0.3075
H               -3.2878     -0.5504     -0.9703
H               -0.8461      1.3940      0.4483
C               -0.8113     -0.5391      1.4145
H               -0.3261     -0.1077      2.2975
H               -0.3962     -1.5345      1.2193
H               -1.8894     -0.6217      1.5938
20
2.18
C               -0.5557      0.3398      0.1946
C               -1.2395     -0.1845     -1.0378
N                0.8152      0.0890     -0.3621
H               -1.2890      0.4825     -1.9045
H               -1.0710     -1.2381     -1.2895
C                1.6350     -0.6213      0.5561
H                1.8646     -0.0493      1.4729
H                2.5934     -0.8713      0.0467
H                1.1168     -1.5612      0.8567
H                1.6811      2.0283     -0.1314
C                1.4677      1.2462     -0.8979
H                0.8195      1.6927     -1.6850
H                2.4381      0.9359     -1.3667
O               -2.6941     -0.1591     -0.3249
H               -3.2964     -0.4797     -0.9853
H               -0.8306      1.3645      0.4697
C               -0.8169     -0.5877      1.3843
H               -0.3125     -0.1923      2.2734
H               -0.4299     -1.5881      1.1594
H               -1.8951     -0.6466      1.5718
20
2.19
C               -0.5485      0.3156      0.1860
C               -1.2584     -0.1650     -1.0415
N                0.8245      0.0757     -0.3434
H               -1.2809      0.5119     -1.9045
H               -1.1114     -1.2180     -1.3151
C                1.6513     -0.5893      0.6058
H                1.8525      0.0117      1.5097
H                2.6229     -0.8289      0.1176
H                1.1509     -1.5327      0.9240
H                1.6723      2.0297     -0.1590
C                1.4671      1.2279     -0.9066
H                0.8130      1.6487     -1.7025
H                2.4406      0.9179     -1.3694
O               -2.6911     -0.1051     -0.3423
H               -3.3052     -0.4091     -1.0002
H               -0.8150      1.3340      0.4910
C               -0.8223     -0.6359      1.3537
H               -0.2994     -0.2771      2.2476
H               -0.4636     -1.6397      1.0989
H               -1.8998     -0.6720      1.5506
20
2.20
C               -0.5412      0.2912      0.1774
C               -1.2774     -0.1458     -1.0451
N                0.8338      0.0622     -0.3246
H               -1.2728      0.5411     -1.9045
H               -1.1518     -1.1981     -1.3407
C                1.6675     -0.5575      0.6556
H                1.8405      0.0725      1.5466
H                2.6524     -0.7867      0.1887
H                1.1851     -1.5045      0.9914
H                1.6635      2.0309     -0.1864
C                1.4665      1.2094     -0.9153
H                0.8066      1.6046     -1.7198
H                2.4430      0.8997     -1.3719
O               -2.6880     -0.0513     -0.3596
H               -3.3140     -0.3387     -1.0150
H               -0.7992      1.3026      0.5119
C               -0.8276     -0.6835      1.3228
H               -0.2866     -0.3619      2.2201
H               -0.4974     -1.6891      1.0379
H               -1.9036     -0.6974      1.5302
20
2.21
C               -0.5339      0.2668      0.1690
C               -1.2964     -0.1266     -1.0485
N                0.8431      0.0486     -0.3056
H               -1.2647      0.5703     -1.9042
H               -1.1922     -1.1783     -1.3660
C                1.6837     -0.5259      0.7056
H                1.8285      0.1332      1.5837
H                2.6819     -0.7446      0.2600
H                1.2193     -1.4764      1.0590
H                1.6548      2.0321     -0.2137
C                1.4659      1.1907     -0.9238
H                0.8001      1.5603     -1.7369
H                2.4454      0.8814     -1.3743
O               -2.6849      0.0024     -0.3766
H               -3.3228     -0.2683     -1.0296
H               -0.7833      1.2703      0.5324
C               -0.8327     -0.7306      1.2914
H               -0.2743     -0.4466      2.1908
H               -0.5311     -1.7361      0.9765
H               -1.9065     -0.7231      1.5106
20
2.22
C               -0.5267      0.2422      0.1607
C               -1.3155     -0.1075     -1.0517
N                0.8522      0.0350     -0.2865
H               -1.2567      0.5993     -1.9038
H               -1.2328     -1.1586     -1.3913
C                1.6998     -0.4943      0.7556
H                1.8164      0.1937      1.6209
H                2.7112     -0.7025      0.3313
H                1.2534     -1.4484      1.1267
H                1.6459      2.0331     -0.2409
C                1.4652      1.1720     -0.9322
H                0.7935      1.5159     -1.7539
H                2.4477      0.8630     -1.3766
O               -2.6819      0.0560     -0.3936
H               -3.3316     -0.1981     -1.0440
H               -0.7674      1.2371      0.5526
C               -0.8377     -0.7772      1.2598
H               -0.2625     -0.5311      2.1597
H               -0.5647     -1.7810      0.9149
H               -1.9085     -0.7492      1.4916
20
2.23
C               -0.5196      0.2176      0.1526
C               -1.3346     -0.0886     -1.0549
N                0.8614      0.0212     -0.2673
H               -1.2487      0.6283     -1.9033
H               -1.2733     -1.1390     -1.4164
C                1.7160     -0.4629      0.8058
H                1.8043      0.2542      1.6582
H                2.7406     -0.6606      0.4028
H                1.2875     -1.4205      1.1945
H                1.6371      2.0341     -0.2679
C                1.4645      1.1531     -0.9405
H                0.7870      1.4715     -1.7708
H                2.4501      0.8445     -1.3787
O               -2.6790      0.1095     -0.4104
H               -3.3405     -0.1279     -1.0584
H               -0.7514      1.2032      0.5723
C               -0.8424     -0.8232      1.2280
H               -0.2513     -0.6150      2.1271
H               -0.5975     -1.8237      0.8533
H               -1.9096     -0.7762      1.4733
20
2.24
C               -0.5126      0.1928      0.1446
C               -1.3539     -0.0697     -1.0579
N                0.8704      0.0073     -0.2479
H               -1.2409      0.6571     -1.9026
H               -1.3140     -1.1195     -1.4414
C                1.7319     -0.4315      0.8562
H                1.7920      0.3146      1.6957
H                2.7698     -0.6188      0.4744
H                1.3214     -1.3927      1.2625
H                1.6280      2.0349     -0.2948
C                1.4636      1.1342     -0.9486
H                0.7802      1.4269     -1.7875
H                2.4522      0.8259     -1.3807
O               -2.6762      0.1629     -0.4271
H               -3.3496     -0.0579     -1.0726
H               -0.7354      1.1685      0.5914
C               -0.8470     -0.8687      1.1959
H               -0.2406     -0.6984      2.0928
H               -0.6301     -1.8642      0.7918
H               -1.9098     -0.8036      1.4556
