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 C       1.48655  1    112.44451  1    213.28260  1   234 230 229   -0.09840
 C       1.39881  1    120.46671  1    248.47169  1   235 234 230   -0.11920
 C       1.39506  1    120.22168  1    181.75767  1   236 235 234   -0.11940
 C       1.39535  1    120.09729  1      0.28726  1   237 236 235   -0.14300
 C       1.39606  1    119.82205  1    359.81491  1   238 237 236   -0.13770
 C       1.39323  1    120.14565  1    359.92790  1   239 238 237   -0.13240
 H       1.09936  1    119.99313  1    180.03553  1   240 239 238    0.11410
 H       1.10022  1    119.90420  1    179.60927  1   239 238 237    0.13360
 H       1.10537  1    119.71369  1    178.95314  1   238 237 236    0.17220
 H       1.10686  1    119.91517  1    180.47507  1   237 236 235    0.17780
 H       1.10057  1    120.28071  1      1.36325  1   236 235 234    0.13700
 H       1.12469  1    109.54281  1    333.52327  1   234 230 229    0.08340
 H       1.12296  1    109.45784  1     90.30202  1   234 230 229    0.09030
 H       1.13074  1    106.77603  1    194.24893  1   230 229   3    0.14060
 H       1.00139  1    117.09893  1      5.73709  1   229   3   2    0.14540
 H       1.00166  1     71.28351  1    263.99890  1   229   3   2    0.13120
 N      10.63207  0    157.78032  0    247.22641  0     3   2   1   -0.32150
 C       1.45686  0     61.45363  0     72.53461  0   251   3   2   -0.11620
 C       1.53079  0    114.33401  0    108.37627  0   252 251   3    0.19330
 O       1.24202  0    122.12129  0    166.61502  0   253 252 251   -0.29970
 H       1.11129  1    116.73285  1    347.94254  1   253 252 251    0.08040
 C       1.53903  1    115.87901  1    337.62895  1   252 251   3   -0.10230
 C       1.46989  1    109.01352  1    292.00467  1   256 252 251   -0.17170
 C       1.39143  1    127.47436  1    104.62776  1   257 256 252   -0.07440
 N       1.40288  1    110.57569  1    186.08209  1   258 257 256   -0.20500
 C       1.40693  1    107.59237  1    355.41759  1   259 258 257   -0.02630
 C       1.44417  1    108.30123  1      4.13023  1   260 259 258   -0.07120
 C       1.39457  1    119.57142  1    176.80565  1   261 260 259   -0.09580
 C       1.38790  1    118.84185  1    359.71887  1   262 261 260   -0.14160
 C       1.40576  1    121.37373  1      0.08559  1   263 262 261   -0.10350
 C       1.38831  1    121.47679  1      0.18579  1   264 263 262   -0.15650
 H       1.09827  1    121.17921  1    179.43897  1   265 264 263    0.13210
 H       1.10419  1    118.58974  1    180.23748  1   264 263 262    0.16120
 H       1.10083  1    119.86811  1    179.58429  1   263 262 261    0.14250
 H       1.09984  1    120.11118  1    179.01210  1   262 261 260    0.13780
 H       0.99026  1    122.48380  1    204.07681  1   259 258 257    0.23900
 H       1.09413  1    129.19654  1      2.54364  1   258 257 256    0.16720
 H       1.12138  1    110.53835  1     54.09345  1   256 252 251    0.08080
 H       1.12414  1    108.49863  1    172.38223  1   256 252 251    0.11870
 H       1.14184  1    105.22262  1    221.55411  1   252 251   3    0.13320
 H       1.00493  1     89.76845  1    321.32381  1   251   3   2    0.16680
 H       1.00389  1     60.67973  1    211.13647  1   251   3   2    0.12890
 N       8.67740  0     38.22060  0    193.99078  0     3   2   1   -0.34280
 C       1.42114  0     58.23409  0     50.35430  0   277   3   2   -0.04200
 C       1.53309  0    116.04025  0    101.50935  0   278 277   3    0.33250
 O       1.21854  0    114.35152  0    130.77104  0   279 278 277   -0.41520
 N       1.34627  0    124.98155  0    307.65807  0   279 278 277   -0.30530
 C       1.44346  0    119.05048  0    178.55598  0   281 279 278   -0.04120
 C       1.53151  0    110.56490  0    303.77749  0   282 281 279    0.19620
 O       1.24540  0    121.78839  0    134.73572  0   283 282 281   -0.33310
 H       1.11059  1    116.99855  1    314.94739  1   283 282 281    0.08520
 C       1.54351  1    107.53438  1    182.65935  1   282 281 279   -0.15410
 C       1.52579  1    105.73584  1    351.04211  1   286 282 281   -0.16630
 C       1.53922  1    106.64013  1     11.16567  1   287 286 282   -0.04160
 H       1.12556  1    109.48505  1    109.25056  1   288 287 286    0.06330
 H       1.13327  1    111.10046  1    229.32841  1   288 287 286    0.18120
 H       1.11705  1    111.48300  1    131.83786  1   287 286 282    0.06850
 H       1.12002  1    110.58864  1    251.97574  1   287 286 282    0.12110
 H       1.11758  1    110.81419  1    111.73577  1   286 282 281    0.06300
 H       1.11783  1    109.54735  1    231.02566  1   286 282 281    0.11270
 H       1.13759  1    109.24692  1     63.34996  1   282 281 279    0.16920
 C       1.54507  1    115.16482  1    333.26225  1   278 277   3   -0.19200
 C       1.48930  1    111.10350  1    303.76627  1   296 278 277   -0.06940
 C       1.40069  1    120.67233  1    299.35859  1   297 296 278   -0.14090
 C       1.39361  1    120.41388  1    180.19475  1   298 297 296   -0.15290
 C       1.39450  1    120.04773  1      0.40581  1   299 298 297   -0.16180
 C       1.39452  1    119.80574  1      0.32803  1   300 299 298   -0.13840
 C       1.39492  1    120.49550  1    359.50282  1   301 300 299   -0.10060
 H       1.11400  1    120.22121  1    178.73038  1   302 301 300    0.21980
 H       1.09965  1    120.24620  1    178.73429  1   301 300 299    0.12700
 H       1.09831  1    120.02006  1    179.60953  1   300 299 298    0.10150
 H       1.09851  1    119.81788  1    179.72029  1   299 298 297    0.10490
 H       1.10046  1    119.68673  1    359.07062  1   298 297 296    0.13240
 H       1.12972  1    110.23566  1     65.74397  1   296 278 277    0.16290
 H       1.12119  1    108.38755  1    183.78158  1   296 278 277    0.11860
 H       1.14070  1    105.95252  1    215.78139  1   278 277   3    0.11210
 H       1.00466  1     97.45425  1    302.40245  1   277   3   2    0.14870
 H       1.00556  1     60.73644  1    196.12877  1   277   3   2    0.15370
 N      11.50103  0     41.84600  0    249.35006  0     3   2   1   -0.33810
 C       1.46571  0     95.67219  0    122.02735  0   313   3   2   -0.09340
 C       1.53380  0    108.58586  0    148.98325  0   314 313   3    0.20060
 O       1.23462  0    124.42499  0    138.84525  0   315 314 313   -0.32270
 H       1.11527  1    115.09693  1    317.14622  1   315 314 313    0.08250
 C       1.54323  1    117.54028  1     27.00937  1   314 313   3   -0.13570
 C       1.51565  1    109.96253  1    189.04222  1   318 314 313   -0.21180
 H       1.11735  1    110.33111  1     66.93655  1   319 318 314    0.06970
 H       1.11761  1    109.93411  1    186.29156  1   319 318 314    0.07980
 H       1.11671  1    111.05379  1    306.58592  1   319 318 314    0.07170
 C       1.51223  1    111.56357  1    310.86921  1   318 314 313   -0.22870
 H       1.12000  1    111.23509  1     71.25105  1   323 318 314    0.10100
 H       1.12020  1    110.37855  1    189.82359  1   323 318 314    0.11070
 H       1.11737  1    110.73698  1    309.94394  1   323 318 314    0.07000
 H       1.12770  1    108.27725  1     69.83446  1   318 314 313    0.10040
 H       1.12995  1    106.25917  1    266.25549  1   314 313   3    0.11870
 H       1.00346  1     20.14071  1    344.81846  1   313   3   2    0.17500
 H       1.00269  1    101.35363  1    233.98292  1   313   3   2    0.14400
 N      14.72332  0    119.88957  0    302.81367  0     3   2   1   -0.32460
 C       1.45021  0     37.30719  0    306.75107  0   331   3   2   -0.08190
 C       1.54346  0    110.63712  0    180.33963  0   332 331   3    0.14280
 O       1.24270  0    122.55259  0    311.49323  0   333 332 331   -0.33410
 H       1.11048  1    115.54483  1    133.12271  1   333 332 331    0.11780
 C       1.53074  1    109.32666  1     59.32736  1   332 331   3   -0.19860
 C       1.51108  1    115.26196  1    186.86544  1   336 332 331    0.30610
 O       1.26790  1    122.48387  1     18.01982  1   337 336 332   -0.59170
 O       1.27368  1    117.22018  1    196.73705  1   337 336 332   -0.59290
 H       1.12380  1    108.80387  1    306.12165  1   336 332 331    0.11480
 H       1.12157  1    109.81211  1     64.24772  1   336 332 331    0.08510
 H       1.12755  1    109.55467  1    299.99906  1   332 331   3    0.14530
 H       1.00306  1    120.26456  1     29.98840  1   331   3   2    0.13780
 H       1.00181  1    127.67522  1    234.71781  1   331   3   2    0.12170
 N      12.38036  0    104.96082  0    284.46983  0     3   2   1   -0.36580
 C       1.45859  0     70.22530  0    354.34928  0   345   3   2   -0.02740
 C       1.51962  0    111.83760  0    117.38431  0   346 345   3    0.27950
 O       1.23555  0    119.95914  0    119.13348  0   347 346 345   -0.42040
 N       1.36644  0    116.12883  0    297.27396  0   347 346 345   -0.36840
 C       1.45852  0    122.03281  0    181.45509  0   349 347 346   -0.04290
 C       1.52059  0    119.21913  0    241.02480  0   350 349 347    0.19630
 O       1.22034  0    112.83439  0    233.01771  0   351 350 349   -0.29660
 H       1.10277  1    120.64712  1     53.62809  1   351 350 349    0.11050
 C       1.54903  1    109.68009  1    113.54718  1   350 349 347   -0.15750
 C       1.52074  1    113.70198  1    294.95669  1   354 350 349   -0.11030
 C       1.51704  1    109.46129  1    167.36084  1   355 354 350   -0.20790
 H       1.11656  1    110.55278  1     55.53335  1   356 355 354    0.06220
 H       1.11785  1    110.54505  1    175.73789  1   356 355 354    0.06720
 H       1.11721  1    110.32667  1    295.59903  1   356 355 354    0.08230
 C       1.51464  1    111.47992  1    289.39805  1   355 354 350   -0.21240
 H       1.11742  1    110.40704  1     64.42269  1   360 355 354    0.08490
 H       1.11784  1    110.33934  1    183.71523  1   360 355 354    0.06910
 H       1.11654  1    110.70840  1    303.81644  1   360 355 354    0.05280
 H       1.12721  1    109.65278  1     49.11059  1   355 354 350    0.09880
 H       1.12323  1    108.02897  1     57.67057  1   354 350 349    0.12380
 H       1.12170  1    108.74152  1    174.34216  1   354 350 349    0.08420
 H       1.13998  1    106.40960  1    358.24597  1   350 349 347    0.10770
 H       1.00290  1    121.57292  1    359.87636  1   349 347 346    0.28420
 C       1.53891  1    113.49232  1    354.34145  1   346 345   3   -0.17630
 C       1.52209  1    113.88045  1    303.08627  1   369 346 345   -0.09780
 C       1.51848  1    112.79907  1     83.77782  1   370 369 346   -0.22050
 H       1.11948  1    111.62361  1     25.44271  1   371 370 369    0.10830
 H       1.11759  1    110.37716  1    145.94081  1   371 370 369    0.07130
 H       1.11684  1    110.58674  1    265.15093  1   371 370 369    0.08400
 C       1.51688  1    109.31127  1    206.30476  1   370 369 346   -0.21130
 H       1.11820  1    110.65758  1     50.78196  1   375 370 369    0.05480
 H       1.11847  1    110.49117  1    171.18923  1   375 370 369    0.07470
 H       1.11709  1    110.33524  1    290.76549  1   375 370 369    0.08720
 H       1.12375  1    108.25910  1    324.21695  1   370 369 346    0.07670
 H       1.12318  1    110.38557  1     65.15991  1   369 346 345    0.10250
 H       1.12356  1    107.02080  1    181.68566  1   369 346 345    0.08120
 H       1.13124  1    106.84262  1    234.37514  1   346 345   3    0.10890
 H       1.00570  1     43.53031  1    154.72633  1   345   3   2    0.20100
 H       1.00056  1    139.01439  1     94.00635  1   345   3   2    0.13830
 N      10.68735  0    128.65141  0    312.98371  0     3   2   1   -0.34850
 C       1.48631  0     40.52725  0     11.00505  0   385   3   2   -0.05890
 C       1.53547  0    112.47589  0     77.79441  0   386 385   3    0.27920
 O       1.24135  0    121.32684  0    140.32846  0   387 386 385   -0.37000
 N       1.30757  0    113.87122  0    319.51944  0   387 386 385   -0.36030
 C       1.46212  0    123.58756  0    180.87103  0   389 387 386   -0.04680
 C       1.53121  0    108.52389  0    269.83224  0   390 389 387    0.17960
 O       1.23565  0    121.25330  0    262.58399  0   391 390 389   -0.31220
 H       1.10942  1    115.95199  1     81.71292  1   391 390 389    0.10720
 C       1.53231  1    113.65115  1    146.84549  1   390 389 387   -0.12890
 C       1.48711  1    113.54906  1    304.88597  1   394 390 389   -0.09730
 C       1.40053  1    121.39016  1    309.49752  1   395 394 390   -0.13010
 C       1.39513  1    120.58885  1    179.76739  1   396 395 394   -0.10450
 C       1.39574  1    119.76549  1      0.24763  1   397 396 395   -0.11620
 C       1.39437  1    120.00602  1      0.30948  1   398 397 396   -0.15170
 C       1.39356  1    120.20082  1    359.58095  1   399 398 397   -0.14270
 H       1.09957  1    119.83784  1    180.86904  1   400 399 398    0.11750
 H       1.09971  1    119.98968  1    180.73046  1   399 398 397    0.11760
 H       1.10150  1    119.65172  1    181.55534  1   398 397 396    0.14480
 H       1.11038  1    120.43605  1    181.23048  1   397 396 395    0.19690
 H       1.10074  1    120.06897  1      0.76693  1   396 395 394    0.13650
 H       1.12412  1    108.99840  1     68.34749  1   394 390 389    0.10030
 H       1.12354  1    107.17958  1    183.92237  1   394 390 389    0.09410
 H       1.13402  1    107.73595  1     25.89590  1   390 389 387    0.13560
 H       0.99681  1    121.66615  1    346.69010  1   389 387 386    0.23700
 C       1.53736  1    110.46509  1    312.98125  1   386 385   3   -0.08270
 C       1.47079  1    110.92164  1    187.64846  1   410 386 385   -0.12620
 N       1.39567  1    124.25937  1     85.32169  1   411 410 386   -0.15120
 C       1.38959  1    106.69790  1    183.21258  1   412 411 410   -0.10950
 N       1.35648  1    111.52723  1    358.86794  1   413 412 411   -0.18780
 C       1.38590  1    105.91610  1      0.26946  1   414 413 412   -0.19480
 H       1.09044  1    122.02861  1    181.31028  1   415 414 413    0.16900
 H       1.09381  1    123.19854  1    179.95184  1   413 412 411    0.18980
 H       1.00246  1    125.26765  1    357.00275  1   412 411 410    0.31150
 H       1.13016  1    107.96259  1    307.91556  1   410 386 385    0.14920
 H       1.12152  1    110.46682  1     66.41220  1   410 386 385    0.08250
 H       1.13337  1    106.72872  1    195.46829  1   386 385   3    0.16690
 H       0.99878  1     71.07069  1    196.05411  1   385   3   2    0.14280
 H       0.99758  1    123.79828  1     93.72613  1   385   3   2    0.14010
 O       3.37296  0    100.11538  0    322.17998  0     3   2   1   -0.41920
 H       0.96461  1     62.65119  1    299.59379  1   424   3   2    0.21540
 H       0.96015  1    164.36138  1    275.00047  1   424   3   2    0.19830

