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author marcel
date Tue, 12 Jul 2011 10:53:07 -0400
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[BondLengths]
key:I key:deg_I key:J key:deg_J key:order value:r0
@unit_r0=Angstrom
;
;
;	 I   deg_I   J   deg_J   order      r0    
	--- ------- --- ------- ------- --------- 
	 C     1     C     1       1     1.508
	 C     1     C     2       1     1.508
	 C     1     C     3       1     1.508
	 C     1     C     4       1     1.5086
	 C     2     C     1       1     1.508
	 C     2     C     2       1     1.5086
	 C     2     C     3       1     1.5072
	 C     2     C     4       1     1.5093
	 C     3     C     1       1     1.508
	 C     3     C     2       1     1.5072
	 C     3     C     3       1     1.5066
	 C     3     C     4       1     1.51
	 C     4     C     1       1     1.5086
	 C     4     C     2       1     1.5093
	 C     4     C     3       1     1.51
	 C     4     C     4       1     1.5121
	 C     1     C     1       2     1.333
	 C     1     C     2       2     1.333
	 C     1     C     3       2     1.3333
	 C     1     C     4       2     1.344
	 C     2     C     1       2     1.333
	 C     2     C     2       2     1.3333
	 C     2     C     3       2     1.3341
	 C     2     C     4       2     1.3453
	 C     3     C     1       2     1.3333
	 C     3     C     2       2     1.3341
	 C     3     C     3       2     1.3358
	 C     3     C     4       2     1.3477
	 C     4     C     1       2     1.344
	 C     4     C     2       2     1.3453
	 C     4     C     3       2     1.3477
	 C     4     C     4       2     1.3624
	 C     1     C     1       3     1.192
	 C     1     C     2       3     1.4529
	 C     1     C     3       3     1.192
	 C     1     C     4       3     1.1917
	 C     2     C     1       3     1.452
	 C     2     C     2       3     1.211
	 C     2     C     3       3     1.3034
	 C     2     C     4       3     1.4768
	 C     3     C     1       3     1.192
	 C     3     C     2       3     1.299
	 C     3     C     3       3     1.3358
	 C     3     C     4       3     1.4835
	 C     4     C     1       3     1.1917
	 C     4     C     2       3     1.468
	 C     4     C     3       3     1.4833
	 C     4     C     4       3     1.5121
	 C     1     N     1       1     1.4556
	 C     1     N     2       1     1.4556
	 C     1     N     3       1     1.451
	 C     1     N     4       1     1.4801
	 C     1     N     5       1     1.5343
	 C     2     N     1       1     1.4556
	 C     2     N     3       1     1.4508
	 C     2     N     4       1     1.4808
	 C     3     N     1       1     1.4556
	 C     3     N     3       1     1.4507
	 C     3     N     4       1     1.4814
	 C     4     N     1       1     1.4545
	 C     4     N     3       1     1.452
	 C     4     N     4       1     1.4757
	 C     1     N     1       2     1.29
	 C     1     N     2       2     1.29
	 C     1     N     3       2     1.28
	 C     1     N     4       2     1.2913
	 C     1     N     5       2     1.2904
	 C     2     N     1       2     1.29
	 C     2     N     2       2     1.289
	 C     2     N     3       2     1.2811
	 C     2     N     4       2     1.2904
	 C     2     N     5       2     1.2901
	 C     3     N     1       2     1.2866
	 C     3     N     2       2     1.2868
	 C     3     N     3       2     1.2798
	 C     3     N     4       2     1.2881
	 C     3     N     5       2     1.2904
	 C     4     N     1       2     1.3265
	 C     4     N     2       2     1.3277
	 C     4     N     3       2     1.29
	 C     4     N     4       2     1.3347
	 C     4     N     5       2     1.3364
	 C     1     N     1       3     1.3756
	 C     1     N     2       3     1.2075
	 C     1     N     3       3     1.3756
	 C     1     N     4       3     1.4018
	 C     1     N     5       3     1.4163
	 C     2     N     1       3     1.1897
	 C     3     N     1       3     1.1154
	 C     4     N     1       3     1.3758
	 C     1     O     1       1     1.402
	 C     1     O     2       1     1.418
	 C     1     O     3       1     1.402
	 C     2     O     1       1     1.402
	 C     2     O     2       1     1.4184
	 C     2     O     3       1     1.4023
	 C     3     O     1       1     1.402
	 C     3     O     2       1     1.4176
	 C     3     O     3       1     1.4025
	 C     4     O     1       1     1.3246
	 C     4     O     2       1     1.4157
	 C     4     O     3       1     1.4014
	 C     1     O     1       2     1.222
	 C     1     O     2       2     1.29
	 C     1     O     3       2     1.222
	 C     2     O     1       2     1.222
	 C     2     O     2       2     1.2905
	 C     3     O     1       2     1.2246
	 C     3     O     2       2     1.2928
	 C     4     O     1       2     1.2649
	 C     4     O     2       2     1.3136
	 C     1     O     1       3     1.062
	 C     1     O     2       3     1.062
	 C     1     O     3       3     1.062
	 C     2     O     1       3     1.3947
	 C     2     O     3       3     1.4092
	 C     3     O     1       3     1.0599
	 C     3     O     3       3     1.3525
	 C     4     O     1       3     1.0617
	 C     4     O     3       3     1.4161
	 C     1     P     1       1     1.8346
	 C     1     P     2       1     1.8347
	 C     1     P     3       1     1.83
	 C     1     P     4       1     1.7992
	 C     1     P     5       1     2.0222
	 C     1     P     6       1     2.2431
	 C     2     P     1       1     1.8347
	 C     2     P     3       1     1.8304
	 C     2     P     4       1     1.7982
	 C     3     P     1       1     1.8347
	 C     3     P     3       1     1.8299
	 C     3     P     4       1     1.7971
	 C     4     P     1       1     1.8321
	 C     4     P     3       1     1.8344
	 C     4     P     4       1     1.7955
	 C     1     P     1       2     1.6347
	 C     1     P     2       2     1.71
	 C     1     P     3       2     1.6346
	 C     1     P     4       2     1.6475
	 C     1     P     5       2     1.6547
	 C     1     P     6       2     1.6704
	 C     2     P     1       2     1.6347
	 C     2     P     2       2     1.7099
	 C     3     P     1       2     1.6347
	 C     3     P     2       2     1.7011
	 C     4     P     1       2     1.6743
	 C     4     P     2       2     1.7554
	 C     1     P     1       3     1.4947
	 C     1     P     2       3     1.4947
	 C     1     P     3       3     1.4947
	 C     1     P     4       3     1.5018
	 C     1     P     5       3     1.5058
	 C     1     P     6       3     1.5137
	 C     2     P     1       3     1.7624
	 C     3     P     1       3     1.4947
	 C     4     P     1       3     1.494
	 C     1     S     1       1     1.801
	 C     1     S     2       1     1.805
	 C     1     S     3       1     1.805
	 C     1     S     4       1     1.7882
	 C     1     S     5       1     1.779
	 C     1     S     6       1     1.7789
	 C     2     S     1       1     1.801
	 C     2     S     2       1     1.8055
	 C     2     S     3       1     1.805
	 C     2     S     4       1     1.7875
	 C     2     S     5       1     1.778
	 C     2     S     6       1     1.7802
	 C     3     S     1       1     1.801
	 C     3     S     2       1     1.8052
	 C     3     S     3       1     1.8051
	 C     3     S     4       1     1.7868
	 C     3     S     5       1     1.777
	 C     3     S     6       1     1.777
	 C     4     S     1       1     1.8265
	 C     4     S     2       1     1.804
	 C     4     S     3       1     1.8042
	 C     4     S     4       1     1.786
	 C     4     S     5       1     1.7765
	 C     4     S     6       1     1.7805
	 C     1     S     1       2     1.665
	 C     1     S     2       2     1.665
	 C     1     S     3       2     1.665
	 C     1     S     4       2     1.6803
	 C     1     S     5       2     1.6889
	 C     1     S     6       2     1.7087
	 C     2     S     1       2     1.665
	 C     3     S     1       2     1.6701
	 C     4     S     1       2     1.7243
	 C     1     S     1       3     1.4584
	 C     1     S     2       3     1.4584
	 C     1     S     3       3     1.4584
	 C     1     S     4       3     1.4502
	 C     1     S     5       3     1.4442
	 C     1     S     6       3     1.4468
	 C     2     S     1       3     1.7357
	 C     2     S     2       3     1.7594
	 C     2     S     3       3     1.7704
	 C     2     S     4       3     1.741
	 C     2     S     5       3     1.7226
	 C     2     S     6       3     1.7233
	 C     3     S     1       3     1.7187
	 C     3     S     2       3     1.7203
	 C     3     S     3       3     1.7213
	 C     3     S     4       3     1.6958
	 C     3     S     5       3     1.6865
	 C     3     S     6       3     1.6844
	 C     4     S     1       3     1.8039
	 C     4     S     2       3     1.804
	 C     4     S     3       3     1.8042
	 C     4     S     4       3     1.786
	 C     4     S     5       3     1.7765
	 C     4     S     6       3     1.7805
	 C     1     H     1       1     1.093
	 C     2     H     1       1     1.093
	 C     3     H     1       1     1.093
	 C     4     H     1       1     1.0922
	 C     1     H     1       2     1.083
	 C     2     H     1       2     1.083
	 C     3     H     1       2     1.0826
	 C     4     H     1       2     1.0922
	 C     1     H     1       3     1.0907
	 C     2     H     1       3     1.0701
	 C     3     H     1       3     1.0826
	 C     4     H     1       3     1.0922
	 C     1     Cl     1       1     1.773
	 C     1     Cl     2       1     1.773
	 C     1     Cl     3       1     1.773
	 C     1     Cl     4       1     1.7993
	 C     2     Cl     1       1     1.773
	 C     3     Cl     1       1     1.773
	 C     4     Cl     1       1     1.767
	 C     1     Cl     1       2     1.72
	 C     1     Cl     2       2     1.72
	 C     1     Cl     3       2     1.72
	 C     1     Cl     4       2     1.7425
	 C     2     Cl     1       2     1.72
	 C     3     Cl     1       2     1.7018
	 C     4     Cl     1       2     1.767
	 C     1     Cl     1       3     1.4231
	 C     1     Cl     2       3     1.4231
	 C     1     Cl     3       3     1.4231
	 C     1     Cl     4       3     1.4294
	 C     2     Cl     1       3     1.774
	 C     3     Cl     1       3     1.7018
	 C     4     Cl     1       3     1.767
	 N     1     C     1       1     1.4556
	 N     1     C     2       1     1.4556
	 N     1     C     3       1     1.4556
	 N     1     C     4       1     1.4545
	 N     2     C     1       1     1.4556
	 N     3     C     1       1     1.451
	 N     3     C     2       1     1.4508
	 N     3     C     3       1     1.4507
	 N     3     C     4       1     1.452
	 N     4     C     1       1     1.4801
	 N     4     C     2       1     1.4808
	 N     4     C     3       1     1.4814
	 N     4     C     4       1     1.4757
	 N     5     C     1       1     1.5343
	 N     1     C     1       2     1.29
	 N     1     C     2       2     1.29
	 N     1     C     3       2     1.2866
	 N     1     C     4       2     1.3265
	 N     2     C     1       2     1.29
	 N     2     C     2       2     1.289
	 N     2     C     3       2     1.2868
	 N     2     C     4       2     1.3278
	 N     3     C     1       2     1.28
	 N     3     C     2       2     1.2811
	 N     3     C     3       2     1.2798
	 N     3     C     4       2     1.29
	 N     4     C     1       2     1.2913
	 N     4     C     2       2     1.2904
	 N     4     C     3       2     1.2881
	 N     4     C     4       2     1.3347
	 N     5     C     1       2     1.2904
	 N     5     C     2       2     1.29
	 N     5     C     3       2     1.2894
	 N     5     C     4       2     1.3364
	 N     1     C     1       3     1.3756
	 N     1     C     2       3     1.1897
	 N     1     C     3       3     1.1154
	 N     1     C     4       3     1.3758
	 N     2     C     1       3     1.2047
	 N     3     C     1       3     1.3756
	 N     4     C     1       3     1.4018
	 N     5     C     1       3     1.4163
	 N     1     N     1       1     1.452
	 N     1     N     2       1     1.452
	 N     1     N     3       1     1.452
	 N     1     N     4       1     1.4477
	 N     1     N     5       1     1.559
	 N     2     N     1       1     1.452
	 N     3     N     1       1     1.452
	 N     3     N     3       1     1.4347
	 N     3     N     4       1     1.4209
	 N     4     N     1       1     1.4477
	 N     4     N     3       1     1.4209
	 N     4     N     4       1     1.5959
	 N     5     N     1       1     1.559
	 N     1     N     1       2     1.243
	 N     1     N     2       2     1.243
	 N     1     N     3       2     1.3196
	 N     1     N     4       2     1.2464
	 N     1     N     5       2     1.2479
	 N     2     N     1       2     1.243
	 N     2     N     2       2     1.2458
	 N     2     N     3       2     1.3274
	 N     2     N     4       2     1.2558
	 N     2     N     5       2     1.262
	 N     3     N     1       2     1.3196
	 N     3     N     2       2     1.3274
	 N     3     N     3       2     1.2614
	 N     3     N     4       2     1.3566
	 N     3     N     5       2     1.3758
	 N     4     N     1       2     1.2464
	 N     4     N     2       2     1.2558
	 N     4     N     3       2     1.3565
	 N     4     N     4       2     1.2902
	 N     4     N     5       2     1.3128
	 N     5     N     1       2     1.2479
	 N     5     N     2       2     1.262
	 N     5     N     3       2     1.3758
	 N     5     N     4       2     1.3128
	 N     5     N     5       2     1.3457
	 N     1     N     1       3     1.112
	 N     1     N     2       3     1.1265
	 N     1     N     3       3     1.112
	 N     1     N     4       3     1.1212
	 N     1     N     5       3     1.1263
	 N     2     N     1       3     1.1265
	 N     3     N     1       3     1.1121
	 N     4     N     1       3     1.1212
	 N     5     N     1       3     1.1263
	 N     1     O     1       1     1.4175
	 N     1     O     2       1     1.4175
	 N     1     O     3       1     1.4175
	 N     2     O     1       1     1.4175
	 N     3     O     1       1     1.3875
	 N     3     O     2       1     1.4537
	 N     3     O     3       1     1.4468
	 N     4     O     1       1     1.385
	 N     4     O     2       1     1.4329
	 N     4     O     3       1     1.4762
	 N     5     O     1       1     1.4778
	 N     1     O     1       2     1.235
	 N     1     O     2       2     1.2175
	 N     1     O     3       2     1.235
	 N     2     O     1       2     1.235
	 N     3     O     1       2     1.235
	 N     4     O     1       2     1.2441
	 N     5     O     1       2     1.2506
	 N     1     O     1       3     1.3375
	 N     1     O     2       3     1.3375
	 N     1     O     3       3     1.3375
	 N     2     O     1       3     1.4103
	 N     3     O     1       3     1.3375
	 N     4     O     1       3     1.3616
	 N     5     O     1       3     1.376
	 N     1     P     1       1     1.7389
	 N     1     P     2       1     1.7389
	 N     1     P     3       1     1.7389
	 N     1     P     4       1     1.7303
	 N     1     P     5       1     1.7713
	 N     1     P     6       1     1.7981
	 N     2     P     1       1     1.7389
	 N     3     P     1       1     1.7389
	 N     3     P     3       1     1.6998
	 N     3     P     4       1     1.6531
	 N     4     P     1       1     1.7339
	 N     4     P     3       1     1.7493
	 N     4     P     4       1     1.7184
	 N     5     P     1       1     1.9769
	 N     1     P     1       2     1.5389
	 N     1     P     2       2     1.5389
	 N     1     P     3       2     1.5389
	 N     1     P     4       2     1.5479
	 N     1     P     5       2     1.5531
	 N     1     P     6       2     1.5625
	 N     2     P     1       2     1.5389
	 N     3     P     1       2     1.5389
	 N     4     P     1       2     1.566
	 N     5     P     1       2     1.58
	 N     1     P     1       3     1.6589
	 N     1     P     2       3     1.6589
	 N     1     P     3       3     1.6589
	 N     1     P     4       3     1.6736
	 N     1     P     5       3     1.6823
	 N     1     P     6       3     1.7
	 N     2     P     1       3     1.6808
	 N     3     P     1       3     1.6589
	 N     4     P     1       3     1.7072
	 N     5     P     1       3     1.7778
	 N     1     S     1       1     1.7181
	 N     1     S     2       1     1.7181
	 N     1     S     3       1     1.7181
	 N     1     S     4       1     1.6908
	 N     1     S     5       1     1.6742
	 N     1     S     6       1     1.6812
	 N     2     S     1       1     1.7181
	 N     3     S     1       1     1.652
	 N     3     S     2       1     1.6536
	 N     3     S     3       1     1.6568
	 N     3     S     4       1     1.6347
	 N     3     S     5       1     1.6265
	 N     3     S     6       1     1.6263
	 N     4     S     1       1     1.7132
	 N     4     S     2       1     1.7215
	 N     4     S     3       1     1.7302
	 N     4     S     4       1     1.7048
	 N     4     S     5       1     1.7001
	 N     4     S     6       1     1.7058
	 N     5     S     1       1     1.8398
	 N     1     S     1       2     1.5181
	 N     1     S     2       2     1.5181
	 N     1     S     3       2     1.5181
	 N     1     S     4       2     1.5063
	 N     1     S     5       2     1.4972
	 N     1     S     6       2     1.5004
	 N     2     S     1       2     1.5181
	 N     3     S     1       2     1.5181
	 N     3     S     2       2     1.5188
	 N     3     S     3       2     1.5191
	 N     3     S     4       2     1.5103
	 N     3     S     5       2     1.5064
	 N     3     S     6       2     1.5047
	 N     4     S     1       2     1.5442
	 N     5     S     1       2     1.5591
	 N     1     S     1       3     1.6381
	 N     1     S     2       3     1.6381
	 N     1     S     3       3     1.6381
	 N     1     S     4       3     1.6171
	 N     1     S     5       3     1.607
	 N     1     S     6       3     1.6054
	 N     2     S     1       3     1.7147
	 N     3     S     1       3     1.6381
	 N     4     S     1       3     1.6849
	 N     5     S     1       3     1.7141
	 N     1     H     1       1     1.0189
	 N     2     H     1       1     1.0189
	 N     3     H     1       1     1.019
	 N     4     H     1       1     1.0268
	 N     5     H     1       1     1.0449
	 N     1     H     1       2     1.0189
	 N     2     H     1       2     1.0189
	 N     3     H     1       2     1.028
	 N     4     H     1       2     1.0319
	 N     5     H     1       2     1.0449
	 N     1     H     1       3     1.0189
	 N     2     H     1       3     1.0268
	 N     3     H     1       3     1.0189
	 N     4     H     1       3     1.0319
	 N     5     H     1       3     1.0449
	 N     1     Cl     1       1     1.7292
	 N     1     Cl     2       1     1.7291
	 N     1     Cl     3       1     1.7292
	 N     1     Cl     4       1     1.7485
	 N     2     Cl     1       1     1.7292
	 N     3     Cl     1       1     1.761
	 N     4     Cl     1       1     1.725
	 N     5     Cl     1       1     1.8244
	 N     1     Cl     1       2     1.5292
	 N     1     Cl     2       2     1.5292
	 N     1     Cl     3       2     1.5292
	 N     1     Cl     4       2     1.5376
	 N     2     Cl     1       2     1.5292
	 N     3     Cl     1       2     1.5292
	 N     4     Cl     1       2     1.5515
	 N     5     Cl     1       2     1.5638
	 N     1     Cl     1       3     1.6492
	 N     1     Cl     2       3     1.6492
	 N     1     Cl     3       3     1.6492
	 N     1     Cl     4       3     1.6631
	 N     2     Cl     1       3     1.6958
	 N     3     Cl     1       3     1.6492
	 N     4     Cl     1       3     1.6884
	 N     5     Cl     1       3     1.7114
	 O     1     C     1       1     1.402
	 O     1     C     2       1     1.402
	 O     1     C     3       1     1.402
	 O     1     C     4       1     1.3246
	 O     2     C     1       1     1.418
	 O     2     C     2       1     1.4184
	 O     2     C     3       1     1.4184
	 O     2     C     4       1     1.4157
	 O     3     C     1       1     1.402
	 O     3     C     2       1     1.4023
	 O     3     C     3       1     1.4025
	 O     3     C     4       1     1.4019
	 O     1     C     1       2     1.222
	 O     1     C     2       2     1.222
	 O     1     C     3       2     1.2246
	 O     1     C     4       2     1.2649
	 O     2     C     1       2     1.29
	 O     2     C     2       2     1.2905
	 O     2     C     3       2     1.2928
	 O     2     C     4       2     1.3136
	 O     3     C     1       2     1.222
	 O     1     C     1       3     1.062
	 O     1     C     2       3     1.3947
	 O     1     C     3       3     1.06
	 O     1     C     4       3     1.0617
	 O     2     C     1       3     1.062
	 O     3     C     1       3     1.062
	 O     3     C     2       3     1.4126
	 O     3     C     3       3     1.3525
	 O     3     C     4       3     1.4181
	 O     1     N     1       1     1.4175
	 O     1     N     2       1     1.4175
	 O     1     N     3       1     1.3875
	 O     1     N     4       1     1.385
	 O     1     N     5       1     1.4778
	 O     2     N     1       1     1.4175
	 O     2     N     3       1     1.4538
	 O     2     N     4       1     1.4329
	 O     3     N     1       1     1.4175
	 O     3     N     3       1     1.4468
	 O     3     N     4       1     1.4762
	 O     1     N     1       2     1.235
	 O     1     N     2       2     1.235
	 O     1     N     3       2     1.235
	 O     1     N     4       2     1.2441
	 O     1     N     5       2     1.2506
	 O     2     N     1       2     1.2175
	 O     3     N     1       2     1.235
	 O     1     N     1       3     1.3375
	 O     1     N     2       3     1.4103
	 O     1     N     3       3     1.3374
	 O     1     N     4       3     1.3616
	 O     1     N     5       3     1.376
	 O     2     N     1       3     1.3375
	 O     3     N     1       3     1.3375
	 O     1     O     1       1     1.432
	 O     1     O     2       1     1.432
	 O     1     O     3       1     1.432
	 O     2     O     1       1     1.432
	 O     2     O     2       1     1.4659
	 O     2     O     3       1     1.4468
	 O     3     O     1       1     1.432
	 O     3     O     2       1     1.4468
	 O     3     O     3       1     1.4631
	 O     1     O     1       2     1.232
	 O     1     O     2       2     1.232
	 O     1     O     3       2     1.232
	 O     2     O     1       2     1.232
	 O     2     O     2       2     1.2369
	 O     2     O     3       2     1.2375
	 O     3     O     1       2     1.232
	 O     3     O     2       2     1.2375
	 O     3     O     3       2     1.4667
	 O     1     O     1       3     1.092
	 O     1     O     2       3     1.092
	 O     1     O     3       3     1.092
	 O     2     O     1       3     1.092
	 O     3     O     1       3     1.092
	 O     3     O     3       3     1.4667
	 O     1     P     1       1     1.51
	 O     1     P     2       1     1.51
	 O     1     P     3       1     1.6467
	 O     1     P     4       1     1.5102
	 O     1     P     5       1     1.5119
	 O     1     P     6       1     1.5149
	 O     2     P     1       1     1.63
	 O     2     P     2       1     1.6298
	 O     2     P     3       1     1.6192
	 O     2     P     4       1     1.6219
	 O     2     P     5       1     1.6147
	 O     2     P     6       1     1.6169
	 O     3     P     1       1     1.6767
	 O     3     P     2       1     1.6765
	 O     3     P     3       1     1.6799
	 O     3     P     4       1     1.6668
	 O     3     P     5       1     1.6617
	 O     3     P     6       1     1.6635
	 O     1     P     1       2     1.4767
	 O     1     P     2       2     1.4767
	 O     1     P     3       2     1.4767
	 O     1     P     4       2     1.474
	 O     1     P     5       2     1.4732
	 O     1     P     6       2     1.4742
	 O     2     P     1       2     1.4767
	 O     2     P     2       2     1.4766
	 O     2     P     3       2     1.476
	 O     2     P     4       2     1.4729
	 O     2     P     5       2     1.4709
	 O     2     P     6       2     1.4712
	 O     3     P     1       2     1.63
	 O     3     P     2       2     1.6298
	 O     3     P     3       2     1.6293
	 O     3     P     4       2     1.6213
	 O     3     P     5       2     1.6135
	 O     3     P     6       2     1.6154
	 O     1     P     1       3     1.3367
	 O     1     P     2       3     1.3367
	 O     1     P     3       3     1.3367
	 O     1     P     4       3     1.3349
	 O     1     P     5       3     1.334
	 O     1     P     6       3     1.3342
	 O     2     P     1       3     1.3367
	 O     3     P     1       3     1.63
	 O     3     P     2       3     1.6298
	 O     3     P     3       3     1.6293
	 O     3     P     4       3     1.6213
	 O     3     P     5       3     1.6135
	 O     3     P     6       3     1.6154
	 O     1     S     1       1     1.6632
	 O     1     S     2       1     1.6632
	 O     1     S     3       1     1.661
	 O     1     S     4       1     1.6179
	 O     1     S     5       1     1.6344
	 O     1     S     6       1     1.633
	 O     2     S     1       1     1.661
	 O     2     S     2       1     1.6636
	 O     2     S     3       1     1.6638
	 O     2     S     4       1     1.6478
	 O     2     S     5       1     1.6402
	 O     2     S     6       1     1.6398
	 O     3     S     1       1     1.6632
	 O     3     S     2       1     1.6606
	 O     3     S     3       1     1.6738
	 O     3     S     4       1     1.6549
	 O     3     S     5       1     1.6498
	 O     3     S     6       1     1.6489
	 O     1     S     1       2     1.5
	 O     1     S     2       2     1.5
	 O     1     S     3       2     1.5
	 O     1     S     4       2     1.5008
	 O     1     S     5       2     1.503
	 O     1     S     6       2     1.5062
	 O     2     S     1       2     1.4632
	 O     3     S     1       2     1.5
	 O     1     S     1       3     1.3232
	 O     1     S     2       3     1.3232
	 O     1     S     3       3     1.3232
	 O     1     S     4       3     1.3194
	 O     1     S     5       3     1.3167
	 O     1     S     6       3     1.3164
	 O     2     S     1       3     1.3232
	 O     2     S     3       3     1.6638
	 O     2     S     4       3     1.6478
	 O     2     S     5       3     1.6402
	 O     2     S     6       3     1.6398
	 O     3     S     1       3     1.661
	 O     3     S     2       3     1.6593
	 O     3     S     3       3     1.6685
	 O     3     S     4       3     1.6505
	 O     3     S     5       3     1.6437
	 O     3     S     6       3     1.6421
	 O     1     H     1       1     0.97781
	 O     2     H     1       1     0.969
	 O     3     H     1       1     0.991
	 O     1     H     1       2     0.97781
	 O     2     H     1       2     0.987
	 O     3     H     1       2     0.97781
	 O     1     H     1       3     0.991
	 O     2     H     1       3     0.97781
	 O     3     H     1       3     0.97781
	 O     1     Cl     1       1     1.6843
	 O     1     Cl     2       1     1.6843
	 O     1     Cl     3       1     1.6843
	 O     1     Cl     4       1     1.6998
	 O     2     Cl     1       1     1.6843
	 O     3     Cl     1       1     1.6843
	 O     1     Cl     1       2     1.4843
	 O     1     Cl     2       2     1.4843
	 O     1     Cl     3       2     1.4843
	 O     1     Cl     4       2     1.491
	 O     2     Cl     1       2     1.4843
	 O     3     Cl     1       2     1.4843
	 O     1     Cl     1       3     1.3443
	 O     1     Cl     2       3     1.3443
	 O     1     Cl     3       3     1.3443
	 O     1     Cl     4       3     1.3479
	 O     2     Cl     1       3     1.3443
	 O     3     Cl     1       3     1.3443
	 P     1     C     1       1     1.8346
	 P     1     C     2       1     1.8347
	 P     1     C     3       1     1.8347
	 P     1     C     4       1     1.8321
	 P     2     C     1       1     1.8347
	 P     3     C     1       1     1.83
	 P     3     C     2       1     1.8299
	 P     3     C     3       1     1.8299
	 P     3     C     4       1     1.8344
	 P     4     C     1       1     1.7992
	 P     4     C     2       1     1.7982
	 P     4     C     3       1     1.7971
	 P     4     C     4       1     1.7955
	 P     5     C     1       1     2.0222
	 P     6     C     1       1     2.2431
	 P     1     C     1       2     1.6347
	 P     1     C     2       2     1.6347
	 P     1     C     3       2     1.6346
	 P     1     C     4       2     1.6743
	 P     2     C     1       2     1.71
	 P     2     C     2       2     1.7099
	 P     2     C     3       2     1.7011
	 P     2     C     4       2     1.7571
	 P     3     C     1       2     1.6347
	 P     4     C     1       2     1.6475
	 P     5     C     1       2     1.6547
	 P     6     C     1       2     1.6704
	 P     1     C     1       3     1.4947
	 P     1     C     2       3     1.7548
	 P     1     C     3       3     1.4947
	 P     1     C     4       3     1.494
	 P     2     C     1       3     1.4947
	 P     3     C     1       3     1.4947
	 P     4     C     1       3     1.5018
	 P     5     C     1       3     1.5058
	 P     6     C     1       3     1.5137
	 P     1     N     1       1     1.7389
	 P     1     N     2       1     1.7389
	 P     1     N     3       1     1.7389
	 P     1     N     4       1     1.7339
	 P     1     N     5       1     1.9769
	 P     2     N     1       1     1.7389
	 P     3     N     1       1     1.7389
	 P     3     N     3       1     1.6998
	 P     3     N     4       1     1.7493
	 P     4     N     1       1     1.7303
	 P     4     N     3       1     1.6508
	 P     4     N     4       1     1.7184
	 P     5     N     1       1     1.7713
	 P     6     N     1       1     1.7981
	 P     1     N     1       2     1.5389
	 P     1     N     2       2     1.5389
	 P     1     N     3       2     1.5389
	 P     1     N     4       2     1.566
	 P     1     N     5       2     1.58
	 P     2     N     1       2     1.5389
	 P     3     N     1       2     1.5389
	 P     4     N     1       2     1.5479
	 P     5     N     1       2     1.5531
	 P     6     N     1       2     1.5625
	 P     1     N     1       3     1.6589
	 P     1     N     2       3     1.6808
	 P     1     N     3       3     1.6589
	 P     1     N     4       3     1.7072
	 P     1     N     5       3     1.7778
	 P     2     N     1       3     1.6589
	 P     3     N     1       3     1.6589
	 P     4     N     1       3     1.6736
	 P     5     N     1       3     1.6823
	 P     6     N     1       3     1.7
	 P     1     O     1       1     1.51
	 P     1     O     2       1     1.63
	 P     1     O     3       1     1.6767
	 P     2     O     1       1     1.51
	 P     2     O     2       1     1.6298
	 P     2     O     3       1     1.6765
	 P     3     O     1       1     1.6467
	 P     3     O     2       1     1.6194
	 P     3     O     3       1     1.6799
	 P     4     O     1       1     1.5102
	 P     4     O     2       1     1.6219
	 P     4     O     3       1     1.6664
	 P     5     O     1       1     1.5119
	 P     5     O     2       1     1.6147
	 P     5     O     3       1     1.6617
	 P     6     O     1       1     1.5148
	 P     6     O     2       1     1.617
	 P     6     O     3       1     1.6635
	 P     1     O     1       2     1.4767
	 P     1     O     2       2     1.4767
	 P     1     O     3       2     1.63
	 P     2     O     1       2     1.4767
	 P     2     O     2       2     1.4766
	 P     2     O     3       2     1.6298
	 P     3     O     1       2     1.4767
	 P     3     O     2       2     1.476
	 P     3     O     3       2     1.6293
	 P     4     O     1       2     1.474
	 P     4     O     2       2     1.4728
	 P     4     O     3       2     1.6213
	 P     5     O     1       2     1.4732
	 P     5     O     2       2     1.4706
	 P     5     O     3       2     1.6134
	 P     6     O     1       2     1.4741
	 P     6     O     2       2     1.4719
	 P     6     O     3       2     1.6153
	 P     1     O     1       3     1.3367
	 P     1     O     2       3     1.3367
	 P     1     O     3       3     1.63
	 P     2     O     1       3     1.3367
	 P     2     O     3       3     1.6298
	 P     3     O     1       3     1.3367
	 P     3     O     3       3     1.6293
	 P     4     O     1       3     1.3349
	 P     4     O     3       3     1.6213
	 P     5     O     1       3     1.334
	 P     5     O     3       3     1.6134
	 P     6     O     1       3     1.3342
	 P     6     O     3       3     1.6153
	 P     1     P     1       1     2.18
	 P     1     P     2       1     2.18
	 P     1     P     3       1     2.18
	 P     1     P     4       1     2.1607
	 P     1     P     5       1     2.2615
	 P     1     P     6       1     2.3913
	 P     2     P     1       1     2.18
	 P     3     P     1       1     2.18
	 P     3     P     3       1     2.2788
	 P     3     P     4       1     2.1532
	 P     4     P     1       1     2.1607
	 P     4     P     3       1     2.1532
	 P     4     P     4       1     2.1946
	 P     5     P     1       1     2.2616
	 P     6     P     1       1     2.3913
	 P     1     P     1       2     1.98
	 P     1     P     2       2     1.98
	 P     1     P     3       2     1.98
	 P     1     P     4       2     2.0047
	 P     1     P     5       2     2.0183
	 P     1     P     6       2     2.0574
	 P     2     P     1       2     1.98
	 P     3     P     1       2     1.9801
	 P     4     P     1       2     2.0047
	 P     5     P     1       2     2.0183
	 P     6     P     1       2     2.0574
	 P     1     P     1       3     1.84
	 P     1     P     2       3     1.84
	 P     1     P     3       3     1.84
	 P     1     P     4       3     1.8549
	 P     1     P     5       3     1.8629
	 P     1     P     6       3     1.8829
	 P     2     P     1       3     1.84
	 P     3     P     1       3     1.84
	 P     4     P     1       3     1.8549
	 P     5     P     1       3     1.8629
	 P     6     P     1       3     1.8829
	 P     1     S     1       1     2.0694
	 P     1     S     2       1     2.0994
	 P     1     S     3       1     2.0994
	 P     1     S     4       1     2.0512
	 P     1     S     5       1     2.0582
	 P     1     S     6       1     2.0526
	 P     2     S     1       1     2.0694
	 P     3     S     1       1     2.0694
	 P     3     S     2       1     2.107
	 P     3     S     3       1     2.1076
	 P     3     S     4       1     2.0602
	 P     3     S     5       1     2.0668
	 P     3     S     6       1     2.0404
	 P     4     S     1       1     1.9399
	 P     4     S     2       1     2.0942
	 P     4     S     3       1     2.0932
	 P     4     S     4       1     2.0484
	 P     4     S     5       1     2.0344
	 P     4     S     6       1     2.0272
	 P     5     S     1       1     2.1158
	 P     6     S     1       1     2.1603
	 P     1     S     1       2     1.8994
	 P     1     S     2       2     1.8994
	 P     1     S     3       2     1.8994
	 P     1     S     4       2     1.8737
	 P     1     S     5       2     1.8769
	 P     1     S     6       2     1.8723
	 P     2     S     1       2     1.8994
	 P     3     S     1       2     1.8994
	 P     4     S     1       2     1.9151
	 P     5     S     1       2     1.9244
	 P     6     S     1       2     1.9437
	 P     1     S     1       3     1.7594
	 P     1     S     2       3     1.7594
	 P     1     S     3       3     1.7594
	 P     1     S     4       3     1.7438
	 P     1     S     5       3     1.7452
	 P     1     S     6       3     1.7418
	 P     2     S     1       3     1.7594
	 P     3     S     1       3     1.7594
	 P     4     S     1       3     1.7688
	 P     5     S     1       3     1.7743
	 P     6     S     1       3     1.7843
	 P     1     H     1       1     1.4168
	 P     2     H     1       1     1.4168
	 P     3     H     1       1     1.415
	 P     4     H     1       1     1.411
	 P     5     H     1       1     1.4168
	 P     6     H     1       1     1.4168
	 P     1     H     1       2     1.4168
	 P     2     H     1       2     1.4168
	 P     3     H     1       2     1.4168
	 P     4     H     1       2     1.4168
	 P     5     H     1       2     1.4168
	 P     6     H     1       2     1.4168
	 P     1     H     1       3     1.4168
	 P     2     H     1       3     1.4168
	 P     3     H     1       3     1.4168
	 P     4     H     1       3     1.4168
	 P     5     H     1       3     1.4168
	 P     6     H     1       3     1.4168
	 P     1     Cl     1       1     2.0445
	 P     1     Cl     2       1     2.0445
	 P     1     Cl     3       1     2.0445
	 P     1     Cl     4       1     2.0745
	 P     2     Cl     1       1     2.0445
	 P     3     Cl     1       1     2.1
	 P     4     Cl     1       1     2.0103
	 P     5     Cl     1       1     2.0863
	 P     6     Cl     1       1     2.1254
	 P     1     Cl     1       2     1.8445
	 P     1     Cl     2       2     1.8445
	 P     1     Cl     3       2     1.8445
	 P     1     Cl     4       2     1.8591
	 P     2     Cl     1       2     1.8445
	 P     3     Cl     1       2     1.8445
	 P     4     Cl     1       2     1.8573
	 P     5     Cl     1       2     1.8648
	 P     6     Cl     1       2     1.8799
	 P     1     Cl     1       3     1.7045
	 P     1     Cl     2       3     1.7045
	 P     1     Cl     3       3     1.7044
	 P     1     Cl     4       3     1.7132
	 P     2     Cl     1       3     1.7045
	 P     3     Cl     1       3     1.7046
	 P     4     Cl     1       3     1.7121
	 P     5     Cl     1       3     1.7165
	 P     6     Cl     1       3     1.7244
	 S     1     C     1       1     1.801
	 S     1     C     2       1     1.801
	 S     1     C     3       1     1.801
	 S     1     C     4       1     1.8265
	 S     2     C     1       1     1.805
	 S     2     C     2       1     1.8055
	 S     2     C     3       1     1.8052
	 S     2     C     4       1     1.804
	 S     3     C     1       1     1.805
	 S     3     C     2       1     1.8053
	 S     3     C     3       1     1.8052
	 S     3     C     4       1     1.8042
	 S     4     C     1       1     1.7882
	 S     4     C     2       1     1.7875
	 S     4     C     3       1     1.7868
	 S     4     C     4       1     1.786
	 S     5     C     1       1     1.779
	 S     5     C     2       1     1.7781
	 S     5     C     3       1     1.777
	 S     5     C     4       1     1.7765
	 S     6     C     1       1     1.7815
	 S     6     C     2       1     1.78
	 S     6     C     3       1     1.7812
	 S     6     C     4       1     1.7808
	 S     1     C     1       2     1.665
	 S     1     C     2       2     1.665
	 S     1     C     3       2     1.6701
	 S     1     C     4       2     1.7243
	 S     2     C     1       2     1.665
	 S     3     C     1       2     1.665
	 S     4     C     1       2     1.6803
	 S     5     C     1       2     1.6889
	 S     6     C     1       2     1.7086
	 S     1     C     1       3     1.4584
	 S     1     C     2       3     1.7389
	 S     1     C     3       3     1.7187
	 S     1     C     4       3     1.8039
	 S     2     C     1       3     1.4584
	 S     2     C     2       3     1.7594
	 S     2     C     3       3     1.7203
	 S     2     C     4       3     1.804
	 S     3     C     1       3     1.4584
	 S     3     C     2       3     1.7586
	 S     3     C     3       3     1.7213
	 S     3     C     4       3     1.8042
	 S     4     C     1       3     1.4502
	 S     4     C     2       3     1.737
	 S     4     C     3       3     1.6958
	 S     4     C     4       3     1.786
	 S     5     C     1       3     1.4442
	 S     5     C     2       3     1.7251
	 S     5     C     3       3     1.6865
	 S     5     C     4       3     1.7765
	 S     6     C     1       3     1.4468
	 S     6     C     2       3     1.7195
	 S     6     C     3       3     1.6847
	 S     6     C     4       3     1.7808
	 S     1     N     1       1     1.7181
	 S     1     N     2       1     1.7181
	 S     1     N     3       1     1.652
	 S     1     N     4       1     1.7132
	 S     1     N     5       1     1.8397
	 S     2     N     1       1     1.7181
	 S     2     N     3       1     1.6536
	 S     2     N     4       1     1.7215
	 S     3     N     1       1     1.7181
	 S     3     N     3       1     1.6568
	 S     3     N     4       1     1.7302
	 S     4     N     1       1     1.6908
	 S     4     N     3       1     1.6347
	 S     4     N     4       1     1.7048
	 S     5     N     1       1     1.6742
	 S     5     N     3       1     1.626
	 S     5     N     4       1     1.7001
	 S     6     N     1       1     1.6812
	 S     6     N     3       1     1.6271
	 S     6     N     4       1     1.7058
	 S     1     N     1       2     1.5181
	 S     1     N     2       2     1.5181
	 S     1     N     3       2     1.5181
	 S     1     N     4       2     1.5442
	 S     1     N     5       2     1.5591
	 S     2     N     1       2     1.5181
	 S     2     N     3       2     1.5188
	 S     3     N     1       2     1.5181
	 S     3     N     3       2     1.5191
	 S     4     N     1       2     1.5063
	 S     4     N     3       2     1.5102
	 S     5     N     1       2     1.4972
	 S     5     N     3       2     1.5058
	 S     6     N     1       2     1.5003
	 S     6     N     3       2     1.5046
	 S     1     N     1       3     1.6381
	 S     1     N     2       3     1.7093
	 S     1     N     3       3     1.6381
	 S     1     N     4       3     1.6849
	 S     1     N     5       3     1.7141
	 S     2     N     1       3     1.6381
	 S     3     N     1       3     1.6381
	 S     4     N     1       3     1.6171
	 S     5     N     1       3     1.607
	 S     6     N     1       3     1.6054
	 S     1     O     1       1     1.6632
	 S     1     O     2       1     1.661
	 S     1     O     3       1     1.6632
	 S     2     O     1       1     1.6632
	 S     2     O     2       1     1.6636
	 S     2     O     3       1     1.6606
	 S     3     O     1       1     1.661
	 S     3     O     2       1     1.6638
	 S     3     O     3       1     1.6738
	 S     4     O     1       1     1.6179
	 S     4     O     2       1     1.6478
	 S     4     O     3       1     1.6549
	 S     5     O     1       1     1.6344
	 S     5     O     2       1     1.6399
	 S     5     O     3       1     1.6498
	 S     6     O     1       1     1.6331
	 S     6     O     2       1     1.6397
	 S     6     O     3       1     1.6488
	 S     1     O     1       2     1.5
	 S     1     O     2       2     1.4632
	 S     1     O     3       2     1.5
	 S     2     O     1       2     1.5
	 S     3     O     1       2     1.5
	 S     4     O     1       2     1.5008
	 S     5     O     1       2     1.503
	 S     6     O     1       2     1.5062
	 S     1     O     1       3     1.3232
	 S     1     O     2       3     1.3232
	 S     1     O     3       3     1.661
	 S     2     O     1       3     1.3232
	 S     2     O     3       3     1.6592
	 S     3     O     1       3     1.3232
	 S     3     O     2       3     1.6638
	 S     3     O     3       3     1.6685
	 S     4     O     1       3     1.3194
	 S     4     O     2       3     1.6478
	 S     4     O     3       3     1.65
	 S     5     O     1       3     1.3167
	 S     5     O     2       3     1.6399
	 S     5     O     3       3     1.6437
	 S     6     O     1       3     1.3163
	 S     6     O     2       3     1.6397
	 S     6     O     3       3     1.6422
	 S     1     P     1       1     2.0694
	 S     1     P     2       1     2.0694
	 S     1     P     3       1     2.0694
	 S     1     P     4       1     1.94
	 S     1     P     5       1     2.1158
	 S     1     P     6       1     2.1603
	 S     2     P     1       1     2.0994
	 S     2     P     3       1     2.107
	 S     2     P     4       1     2.0942
	 S     3     P     1       1     2.0994
	 S     3     P     3       1     2.1076
	 S     3     P     4       1     2.0932
	 S     4     P     1       1     2.0924
	 S     4     P     3       1     2.0602
	 S     4     P     4       1     2.0484
	 S     5     P     1       1     2.0582
	 S     5     P     3       1     2.0471
	 S     5     P     4       1     2.0344
	 S     6     P     1       1     2.0526
	 S     6     P     3       1     2.0396
	 S     6     P     4       1     2.0263
	 S     1     P     1       2     1.8994
	 S     1     P     2       2     1.8994
	 S     1     P     3       2     1.8994
	 S     1     P     4       2     1.9151
	 S     1     P     5       2     1.9244
	 S     1     P     6       2     1.9437
	 S     2     P     1       2     1.8994
	 S     3     P     1       2     1.8994
	 S     4     P     1       2     1.8737
	 S     5     P     1       2     1.8624
	 S     6     P     1       2     1.8723
	 S     1     P     1       3     1.7594
	 S     1     P     2       3     1.7594
	 S     1     P     3       3     1.7595
	 S     1     P     4       3     1.7688
	 S     1     P     5       3     1.7743
	 S     1     P     6       3     1.7843
	 S     2     P     1       3     1.7594
	 S     3     P     1       3     1.7594
	 S     4     P     1       3     1.7438
	 S     5     P     1       3     1.7359
	 S     6     P     1       3     1.7418
	 S     1     S     1       1     2.05
	 S     1     S     2       1     2.05
	 S     1     S     3       1     2.05
	 S     1     S     4       1     2.007
	 S     1     S     5       1     1.9923
	 S     1     S     6       1     1.9875
	 S     2     S     1       1     2.05
	 S     2     S     2       1     2.0515
	 S     2     S     3       1     2.0496
	 S     2     S     4       1     2.0082
	 S     2     S     5       1     1.9947
	 S     2     S     6       1     1.9865
	 S     3     S     1       1     2.05
	 S     3     S     2       1     2.0496
	 S     3     S     3       1     2.0528
	 S     3     S     4       1     2.0097
	 S     3     S     5       1     1.9973
	 S     3     S     6       1     1.9924
	 S     4     S     1       1     2.007
	 S     4     S     2       1     2.0082
	 S     4     S     3       1     2.0097
	 S     4     S     4       1     1.9769
	 S     4     S     5       1     1.9671
	 S     4     S     6       1     1.9605
	 S     5     S     1       1     1.9923
	 S     5     S     2       1     1.9947
	 S     5     S     3       1     1.9972
	 S     5     S     4       1     1.9671
	 S     5     S     5       1     1.9587
	 S     5     S     6       1     1.9559
	 S     6     S     1       1     1.9875
	 S     6     S     2       1     1.9866
	 S     6     S     3       1     1.9924
	 S     6     S     4       1     1.9606
	 S     6     S     5       1     1.9566
	 S     6     S     6       1     1.9493
	 S     1     S     1       2     2.05
	 S     1     S     2       2     2.05
	 S     1     S     3       2     2.05
	 S     1     S     4       2     2.007
	 S     1     S     5       2     1.9923
	 S     1     S     6       2     1.9875
	 S     2     S     1       2     2.05
	 S     2     S     2       2     2.0515
	 S     2     S     3       2     2.0496
	 S     2     S     4       2     2.0082
	 S     2     S     5       2     1.9947
	 S     2     S     6       2     1.9865
	 S     3     S     1       2     2.05
	 S     3     S     2       2     2.0496
	 S     3     S     3       2     2.0528
	 S     3     S     4       2     2.0097
	 S     3     S     5       2     1.9973
	 S     3     S     6       2     1.9924
	 S     4     S     1       2     2.007
	 S     4     S     2       2     2.0082
	 S     4     S     3       2     2.0097
	 S     4     S     4       2     1.9769
	 S     4     S     5       2     1.9671
	 S     4     S     6       2     1.9605
	 S     5     S     1       2     1.9923
	 S     5     S     2       2     1.9947
	 S     5     S     3       2     1.9972
	 S     5     S     4       2     1.9671
	 S     5     S     5       2     1.9587
	 S     5     S     6       2     1.9559
	 S     6     S     1       2     1.9875
	 S     6     S     2       2     1.9866
	 S     6     S     3       2     1.9924
	 S     6     S     4       2     1.9606
	 S     6     S     5       2     1.9566
	 S     6     S     6       2     1.9493
	 S     1     S     1       3     2.05
	 S     1     S     2       3     2.05
	 S     1     S     3       3     2.05
	 S     1     S     4       3     2.007
	 S     1     S     5       3     1.9923
	 S     1     S     6       3     1.9875
	 S     2     S     1       3     2.05
	 S     2     S     2       3     2.0515
	 S     2     S     3       3     2.0496
	 S     2     S     4       3     2.0082
	 S     2     S     5       3     1.9947
	 S     2     S     6       3     1.9865
	 S     3     S     1       3     2.05
	 S     3     S     2       3     2.0496
	 S     3     S     3       3     2.0528
	 S     3     S     4       3     2.0097
	 S     3     S     5       3     1.9973
	 S     3     S     6       3     1.9924
	 S     4     S     1       3     2.007
	 S     4     S     2       3     2.0082
	 S     4     S     3       3     2.0097
	 S     4     S     4       3     1.9769
	 S     4     S     5       3     1.9671
	 S     4     S     6       3     1.9605
	 S     5     S     1       3     1.9923
	 S     5     S     2       3     1.9947
	 S     5     S     3       3     1.9972
	 S     5     S     4       3     1.9671
	 S     5     S     5       3     1.9587
	 S     5     S     6       3     1.9559
	 S     6     S     1       3     1.9875
	 S     6     S     2       3     1.9866
	 S     6     S     3       3     1.9924
	 S     6     S     4       3     1.9606
	 S     6     S     5       3     1.9566
	 S     6     S     6       3     1.9493
	 S     1     H     1       1     1.341
	 S     2     H     1       1     1.341
	 S     3     H     1       1     1.341
	 S     4     H     1       1     1.3318
	 S     5     H     1       1     1.3272
	 S     6     H     1       1     1.3317
	 S     1     H     1       2     1.341
	 S     2     H     1       2     1.341
	 S     3     H     1       2     1.341
	 S     4     H     1       2     1.3318
	 S     5     H     1       2     1.3272
	 S     6     H     1       2     1.3317
	 S     1     H     1       3     1.341
	 S     2     H     1       3     1.341
	 S     3     H     1       3     1.341
	 S     4     H     1       3     1.3318
	 S     5     H     1       3     1.3272
	 S     6     H     1       3     1.3317
	 S     1     Cl     1       1     2.031
	 S     1     Cl     2       1     2.031
	 S     1     Cl     3       1     2.031
	 S     1     Cl     4       1     2.0566
	 S     2     Cl     1       1     2.031
	 S     3     Cl     1       1     2.031
	 S     4     Cl     1       1     1.9985
	 S     5     Cl     1       1     1.9855
	 S     6     Cl     1       1     1.9827
	 S     1     Cl     1       2     2.031
	 S     1     Cl     2       2     2.031
	 S     1     Cl     3       2     2.031
	 S     1     Cl     4       2     2.0566
	 S     2     Cl     1       2     2.031
	 S     3     Cl     1       2     2.031
	 S     4     Cl     1       2     1.9985
	 S     5     Cl     1       2     1.9855
	 S     6     Cl     1       2     1.9827
	 S     1     Cl     1       3     2.031
	 S     1     Cl     2       3     2.031
	 S     1     Cl     3       3     2.031
	 S     1     Cl     4       3     2.0566
	 S     2     Cl     1       3     2.031
	 S     3     Cl     1       3     2.031
	 S     4     Cl     1       3     1.9985
	 S     5     Cl     1       3     1.9855
	 S     6     Cl     1       3     1.9827
	 H     1     C     1       1     1.093
	 H     1     C     2       1     1.093
	 H     1     C     3       1     1.093
	 H     1     C     4       1     1.0922
	 H     1     C     1       2     1.083
	 H     1     C     2       2     1.083
	 H     1     C     3       2     1.0826
	 H     1     C     4       2     1.0922
	 H     1     C     1       3     1.0907
	 H     1     C     2       3     1.0701
	 H     1     C     3       3     1.0826
	 H     1     C     4       3     1.0922
	 H     1     N     1       1     1.0189
	 H     1     N     2       1     1.0189
	 H     1     N     3       1     1.019
	 H     1     N     4       1     1.0268
	 H     1     N     5       1     1.0449
	 H     1     N     1       2     1.0189
	 H     1     N     2       2     1.0189
	 H     1     N     3       2     1.028
	 H     1     N     4       2     1.0319
	 H     1     N     5       2     1.0449
	 H     1     N     1       3     1.0189
	 H     1     N     2       3     1.0268
	 H     1     N     3       3     1.0189
	 H     1     N     4       3     1.0319
	 H     1     N     5       3     1.0449
	 H     1     O     1       1     0.97781
	 H     1     O     2       1     0.969
	 H     1     O     3       1     0.991
	 H     1     O     1       2     0.97781
	 H     1     O     2       2     0.987
	 H     1     O     3       2     0.97784
	 H     1     O     1       3     0.991
	 H     1     O     2       3     0.97781
	 H     1     O     3       3     0.97784
	 H     1     P     1       1     1.4168
	 H     1     P     2       1     1.4168
	 H     1     P     3       1     1.415
	 H     1     P     4       1     1.411
	 H     1     P     5       1     1.4168
	 H     1     P     6       1     1.4168
	 H     1     P     1       2     1.4168
	 H     1     P     2       2     1.4168
	 H     1     P     3       2     1.4168
	 H     1     P     4       2     1.4168
	 H     1     P     5       2     1.4168
	 H     1     P     6       2     1.4168
	 H     1     P     1       3     1.4168
	 H     1     P     2       3     1.4168
	 H     1     P     3       3     1.4168
	 H     1     P     4       3     1.4168
	 H     1     P     5       3     1.4168
	 H     1     P     6       3     1.4168
	 H     1     S     1       1     1.341
	 H     1     S     2       1     1.341
	 H     1     S     3       1     1.341
	 H     1     S     4       1     1.3318
	 H     1     S     5       1     1.3335
	 H     1     S     6       1     1.3317
	 H     1     S     1       2     1.341
	 H     1     S     2       2     1.341
	 H     1     S     3       2     1.341
	 H     1     S     4       2     1.3318
	 H     1     S     5       2     1.3335
	 H     1     S     6       2     1.3317
	 H     1     S     1       3     1.341
	 H     1     S     2       3     1.341
	 H     1     S     3       3     1.341
	 H     1     S     4       3     1.3318
	 H     1     S     5       3     1.3335
	 H     1     S     6       3     1.3317
	 H     1     H     1       1     0.66
	 H     1     H     1       2     0.66
	 H     1     H     1       3     0.66
	 H     1     Cl     1       1     1.3138
	 H     1     Cl     2       1     1.3138
	 H     1     Cl     3       1     1.3138
	 H     1     Cl     4       1     1.3138
	 H     1     Cl     1       2     1.3138
	 H     1     Cl     2       2     1.3138
	 H     1     Cl     3       2     1.3138
	 H     1     Cl     4       2     1.3138
	 H     1     Cl     1       3     1.3138
	 H     1     Cl     2       3     1.3138
	 H     1     Cl     3       3     1.3138
	 H     1     Cl     4       3     1.3138
	 Cl     1     C     1       1     1.773
	 Cl     1     C     2       1     1.773
	 Cl     1     C     3       1     1.773
	 Cl     1     C     4       1     1.767
	 Cl     2     C     1       1     1.773
	 Cl     3     C     1       1     1.773
	 Cl     4     C     1       1     1.7993
	 Cl     1     C     1       2     1.72
	 Cl     1     C     2       2     1.72
	 Cl     1     C     3       2     1.7018
	 Cl     1     C     4       2     1.767
	 Cl     2     C     1       2     1.72
	 Cl     3     C     1       2     1.72
	 Cl     4     C     1       2     1.7425
	 Cl     1     C     1       3     1.4231
	 Cl     1     C     2       3     1.7739
	 Cl     1     C     3       3     1.7018
	 Cl     1     C     4       3     1.767
	 Cl     2     C     1       3     1.4231
	 Cl     3     C     1       3     1.423
	 Cl     4     C     1       3     1.4294
	 Cl     1     N     1       1     1.7292
	 Cl     1     N     2       1     1.7292
	 Cl     1     N     3       1     1.761
	 Cl     1     N     4       1     1.725
	 Cl     1     N     5       1     1.8244
	 Cl     2     N     1       1     1.7291
	 Cl     3     N     1       1     1.7292
	 Cl     4     N     1       1     1.7485
	 Cl     1     N     1       2     1.5292
	 Cl     1     N     2       2     1.5292
	 Cl     1     N     3       2     1.5292
	 Cl     1     N     4       2     1.5515
	 Cl     1     N     5       2     1.5638
	 Cl     2     N     1       2     1.5292
	 Cl     3     N     1       2     1.5292
	 Cl     4     N     1       2     1.5376
	 Cl     1     N     1       3     1.6492
	 Cl     1     N     2       3     1.6956
	 Cl     1     N     3       3     1.6492
	 Cl     1     N     4       3     1.6884
	 Cl     1     N     5       3     1.7114
	 Cl     2     N     1       3     1.6492
	 Cl     3     N     1       3     1.6492
	 Cl     4     N     1       3     1.6631
	 Cl     1     O     1       1     1.6843
	 Cl     1     O     2       1     1.6843
	 Cl     1     O     3       1     1.6843
	 Cl     2     O     1       1     1.6843
	 Cl     3     O     1       1     1.6843
	 Cl     4     O     1       1     1.6998
	 Cl     1     O     1       2     1.4843
	 Cl     1     O     2       2     1.4843
	 Cl     1     O     3       2     1.4843
	 Cl     2     O     1       2     1.4843
	 Cl     3     O     1       2     1.4844
	 Cl     4     O     1       2     1.491
	 Cl     1     O     1       3     1.3443
	 Cl     1     O     2       3     1.3443
	 Cl     1     O     3       3     1.3443
	 Cl     2     O     1       3     1.3443
	 Cl     3     O     1       3     1.3444
	 Cl     4     O     1       3     1.3479
	 Cl     1     P     1       1     2.0445
	 Cl     1     P     2       1     2.0445
	 Cl     1     P     3       1     2.1
	 Cl     1     P     4       1     2.0103
	 Cl     1     P     5       1     2.0863
	 Cl     1     P     6       1     2.1254
	 Cl     2     P     1       1     2.0445
	 Cl     3     P     1       1     2.0447
	 Cl     4     P     1       1     2.0745
	 Cl     1     P     1       2     1.8445
	 Cl     1     P     2       2     1.8445
	 Cl     1     P     3       2     1.8446
	 Cl     1     P     4       2     1.8573
	 Cl     1     P     5       2     1.8648
	 Cl     1     P     6       2     1.8799
	 Cl     2     P     1       2     1.8445
	 Cl     3     P     1       2     1.8445
	 Cl     4     P     1       2     1.8591
	 Cl     1     P     1       3     1.7045
	 Cl     1     P     2       3     1.7045
	 Cl     1     P     3       3     1.7045
	 Cl     1     P     4       3     1.7121
	 Cl     1     P     5       3     1.7165
	 Cl     1     P     6       3     1.7244
	 Cl     2     P     1       3     1.7045
	 Cl     3     P     1       3     1.7045
	 Cl     4     P     1       3     1.7132
	 Cl     1     S     1       1     2.031
	 Cl     1     S     2       1     2.031
	 Cl     1     S     3       1     2.031
	 Cl     1     S     4       1     1.9985
	 Cl     1     S     5       1     1.9855
	 Cl     1     S     6       1     1.9827
	 Cl     2     S     1       1     2.031
	 Cl     3     S     1       1     2.031
	 Cl     4     S     1       1     2.0566
	 Cl     1     S     1       2     2.031
	 Cl     1     S     2       2     2.031
	 Cl     1     S     3       2     2.031
	 Cl     1     S     4       2     1.9985
	 Cl     1     S     5       2     1.9855
	 Cl     1     S     6       2     1.9827
	 Cl     2     S     1       2     2.031
	 Cl     3     S     1       2     2.031
	 Cl     4     S     1       2     2.0566
	 Cl     1     S     1       3     2.031
	 Cl     1     S     2       3     2.031
	 Cl     1     S     3       3     2.031
	 Cl     1     S     4       3     1.9985
	 Cl     1     S     5       3     1.9855
	 Cl     1     S     6       3     1.9827
	 Cl     2     S     1       3     2.031
	 Cl     3     S     1       3     2.031
	 Cl     4     S     1       3     2.0566
	 Cl     1     H     1       1     1.3138
	 Cl     2     H     1       1     1.3138
	 Cl     3     H     1       1     1.3138
	 Cl     4     H     1       1     1.3138
	 Cl     1     H     1       2     1.3138
	 Cl     2     H     1       2     1.3138
	 Cl     3     H     1       2     1.3138
	 Cl     4     H     1       2     1.3138
	 Cl     1     H     1       3     1.3138
	 Cl     2     H     1       3     1.3138
	 Cl     3     H     1       3     1.3138
	 Cl     4     H     1       3     1.3138
	 Cl     1     Cl     1       1     2.02
	 Cl     1     Cl     2       1     2.02
	 Cl     1     Cl     3       1     2.02
	 Cl     1     Cl     4       1     2.0439
	 Cl     2     Cl     1       1     2.02
	 Cl     3     Cl     1       1     2.02
	 Cl     4     Cl     1       1     2.0439
	 Cl     1     Cl     1       2     1.82
	 Cl     1     Cl     2       2     1.82
	 Cl     1     Cl     3       2     1.82
	 Cl     1     Cl     4       2     1.8317
	 Cl     2     Cl     1       2     1.82
	 Cl     3     Cl     1       2     1.8201
	 Cl     4     Cl     1       2     1.8317
	 Cl     1     Cl     1       3     1.68
	 Cl     1     Cl     2       3     1.68
	 Cl     1     Cl     3       3     1.68
	 Cl     1     Cl     4       3     1.6869
	 Cl     2     Cl     1       3     1.68
	 Cl     3     Cl     1       3     1.68
	 Cl     4     Cl     1       3     1.6869