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 C       1.48674  1    112.39994  1    213.40410  1   234 230 229   -0.09930
 C       1.39909  1    120.49985  1    248.56649  1   235 234 230   -0.11950
 C       1.39517  1    120.23558  1    181.51656  1   236 235 234   -0.11960
 C       1.39534  1    120.12891  1      0.24725  1   237 236 235   -0.14330
 C       1.39583  1    119.83014  1    359.90858  1   238 237 236   -0.13580
 C       1.39300  1    120.14077  1    359.83113  1   239 238 237   -0.13360
 H       1.09937  1    119.99691  1    179.94480  1   240 239 238    0.11390
 H       1.10019  1    119.89430  1    179.49034  1   239 238 237    0.13310
 H       1.10548  1    119.69745  1    179.04720  1   238 237 236    0.17250
 H       1.10702  1    119.89468  1    180.45553  1   237 236 235    0.17900
 H       1.10053  1    120.27940  1      1.07682  1   236 235 234    0.13680
 H       1.12464  1    109.58067  1    333.69481  1   234 230 229    0.08340
 H       1.12289  1    109.46699  1     90.51099  1   234 230 229    0.09050
 H       1.13087  1    106.77931  1    194.17590  1   230 229   3    0.14050
 H       1.00138  1    117.42450  1      6.13237  1   229   3   2    0.14550
 H       1.00165  1     71.24448  1    264.49662  1   229   3   2    0.13150
 N      10.63207  0    157.78032  0    247.22641  0     3   2   1   -0.32290
 C       1.45686  0     61.45363  0     72.53461  0   251   3   2   -0.11490
 C       1.53079  0    114.33401  0    108.37627  0   252 251   3    0.19250
 O       1.24202  0    122.12129  0    166.61502  0   253 252 251   -0.30040
 H       1.11136  1    116.74555  1    347.88077  1   253 252 251    0.08090
 C       1.53906  1    115.38830  1    337.71896  1   252 251   3   -0.10260
 C       1.46963  1    109.07367  1    290.95020  1   256 252 251   -0.17400
 C       1.39165  1    127.31820  1    104.79239  1   257 256 252   -0.07280
 N       1.40220  1    110.62455  1    185.22663  1   258 257 256   -0.20640
 C       1.40675  1    107.57438  1    355.91885  1   259 258 257   -0.02510
 C       1.44401  1    108.29096  1      3.87264  1   260 259 258   -0.07090
 C       1.39434  1    119.58325  1    177.46377  1   261 260 259   -0.09600
 C       1.38775  1    118.82304  1    359.67270  1   262 261 260   -0.14180
 C       1.40624  1    121.37908  1      0.06305  1   263 262 261   -0.10330
 C       1.38832  1    121.48378  1      0.35292  1   264 263 262   -0.15500
 H       1.09827  1    121.18397  1    179.27009  1   265 264 263    0.13290
 H       1.10427  1    118.58528  1    180.21569  1   264 263 262    0.16180
 H       1.10078  1    119.86206  1    179.42256  1   263 262 261    0.14230
 H       1.09977  1    120.12356  1    179.00028  1   262 261 260    0.13690
 H       0.98997  1    122.68492  1    203.87656  1   259 258 257    0.24050
 H       1.09421  1    129.16200  1      2.75522  1   258 257 256    0.16700
 H       1.12174  1    110.37802  1     52.42729  1   256 252 251    0.07950
 H       1.12380  1    108.73591  1    171.00903  1   256 252 251    0.11800
 H       1.14183  1    105.27210  1    221.56946  1   252 251   3    0.13390
 H       1.00481  1     90.13270  1    321.51694  1   251   3   2    0.16710
 H       1.00387  1     60.48106  1    211.46979  1   251   3   2    0.12970
 N       8.67740  0     38.22060  0    193.99078  0     3   2   1   -0.34210
 C       1.42114  0     58.23409  0     50.35430  0   277   3   2   -0.04290
 C       1.53309  0    116.04025  0    101.50935  0   278 277   3    0.33230
 O       1.21854  0    114.35152  0    130.77104  0   279 278 277   -0.41460
 N       1.34627  0    124.98155  0    307.65807  0   279 278 277   -0.30390
 C       1.44346  0    119.05048  0    178.55598  0   281 279 278   -0.04370
 C       1.53151  0    110.56490  0    303.77749  0   282 281 279    0.19680
 O       1.24540  0    121.78839  0    134.73572  0   283 282 281   -0.33410
 H       1.11070  1    117.04312  1    315.01407  1   283 282 281    0.08340
 C       1.54258  1    107.48186  1    182.64739  1   282 281 279   -0.15370
 C       1.52561  1    105.72550  1    350.86279  1   286 282 281   -0.16570
 C       1.53942  1    106.65974  1     11.06393  1   287 286 282   -0.04140
 H       1.12557  1    109.45870  1    109.56593  1   288 287 286    0.06340
 H       1.13302  1    111.09576  1    229.62829  1   288 287 286    0.17940
 H       1.11709  1    111.49257  1    131.71025  1   287 286 282    0.06690
 H       1.11988  1    110.54445  1    251.84601  1   287 286 282    0.12060
 H       1.11752  1    110.70929  1    111.41131  1   286 282 281    0.06150
 H       1.11795  1    109.47265  1    230.93982  1   286 282 281    0.11390
 H       1.13913  1    109.17950  1     63.50917  1   282 281 279    0.17500
 C       1.54525  1    115.41097  1    333.46802  1   278 277   3   -0.19250
 C       1.48904  1    111.12732  1    303.37060  1   296 278 277   -0.06980
 C       1.40067  1    120.69003  1    295.42550  1   297 296 278   -0.13470
 C       1.39377  1    120.40169  1    180.05528  1   298 297 296   -0.15620
 C       1.39446  1    120.04368  1      0.39724  1   299 298 297   -0.16190
 C       1.39444  1    119.78698  1      0.36059  1   300 299 298   -0.13990
 C       1.39481  1    120.47511  1    359.46498  1   301 300 299   -0.10100
 H       1.11400  1    120.23289  1    178.50329  1   302 301 300    0.21820
 H       1.09959  1    120.22679  1    178.69313  1   301 300 299    0.12570
 H       1.09832  1    120.00716  1    179.59737  1   300 299 298    0.10090
 H       1.09850  1    119.82516  1    179.67622  1   299 298 297    0.10490
 H       1.10051  1    119.63384  1    359.00424  1   298 297 296    0.13450
 H       1.12949  1    110.22615  1     65.35974  1   296 278 277    0.16280
 H       1.12158  1    108.26953  1    183.18744  1   296 278 277    0.11960
 H       1.14057  1    105.97413  1    215.89902  1   278 277   3    0.11360
 H       1.00460  1     96.94144  1    302.10549  1   277   3   2    0.14720
 H       1.00546  1     60.99563  1    195.67859  1   277   3   2    0.15290
 N      11.50103  0     41.84600  0    249.35006  0     3   2   1   -0.33490
 C       1.46571  0     95.67219  0    122.02735  0   313   3   2   -0.09350
 C       1.53380  0    108.58586  0    148.98325  0   314 313   3    0.20020
 O       1.23462  0    124.42499  0    138.84525  0   315 314 313   -0.32410
 H       1.11529  1    115.09232  1    316.84970  1   315 314 313    0.08230
 C       1.54418  1    117.73094  1     27.67058  1   314 313   3   -0.13590
 C       1.51579  1    109.94188  1    189.05478  1   318 314 313   -0.21130
 H       1.11725  1    110.29808  1     66.14736  1   319 318 314    0.06950
 H       1.11765  1    109.92198  1    185.46937  1   319 318 314    0.07980
 H       1.11664  1    111.08305  1    305.80331  1   319 318 314    0.07070
 C       1.51132  1    111.83755  1    310.99804  1   318 314 313   -0.22770
 H       1.12006  1    111.25533  1     69.57458  1   323 318 314    0.10180
 H       1.12003  1    110.35549  1    187.97454  1   323 318 314    0.11160
 H       1.11725  1    110.72379  1    308.08557  1   323 318 314    0.06980
 H       1.12788  1    108.23715  1     69.95270  1   318 314 313    0.09910
 H       1.12947  1    106.34004  1    266.52289  1   314 313   3    0.11880
 H       1.00341  1     20.16895  1    344.79430  1   313   3   2    0.17470
 H       1.00275  1    101.33634  1    233.90108  1   313   3   2    0.14270
 N      14.72332  0    119.88957  0    302.81367  0     3   2   1   -0.32560
 C       1.45021  0     37.30719  0    306.75107  0   331   3   2   -0.08180
 C       1.54346  0    110.63712  0    180.33963  0   332 331   3    0.14240
 O       1.24270  0    122.55259  0    311.49323  0   333 332 331   -0.33390
 H       1.11051  1    115.55713  1    133.02989  1   333 332 331    0.11780
 C       1.53126  1    109.34625  1     59.68267  1   332 331   3   -0.19830
 C       1.51120  1    115.18391  1    187.59583  1   336 332 331    0.30570
 O       1.26753  1    122.47903  1     17.31860  1   337 336 332   -0.58900
 O       1.27424  1    117.22774  1    195.98303  1   337 336 332   -0.59500
 H       1.12368  1    108.86194  1    306.84371  1   336 332 331    0.11460
 H       1.12146  1    109.79432  1     64.95254  1   336 332 331    0.08500
 H       1.12730  1    109.65242  1    300.22554  1   332 331   3    0.14590
 H       1.00297  1    121.15408  1     28.61524  1   331   3   2    0.13830
 H       1.00193  1    126.78960  1    233.14496  1   331   3   2    0.12240
 N      12.38036  0    104.96082  0    284.46983  0     3   2   1   -0.36650
 C       1.45859  0     70.22530  0    354.34928  0   345   3   2   -0.02670
 C       1.51962  0    111.83760  0    117.38431  0   346 345   3    0.27870
 O       1.23555  0    119.95914  0    119.13348  0   347 346 345   -0.41960
 N       1.36644  0    116.12883  0    297.27396  0   347 346 345   -0.36780
 C       1.45852  0    122.03281  0    181.45509  0   349 347 346   -0.04440
 C       1.52059  0    119.21913  0    241.02480  0   350 349 347    0.19640
 O       1.22034  0    112.83439  0    233.01771  0   351 350 349   -0.29780
 H       1.10283  1    120.67490  1     53.70921  1   351 350 349    0.11060
 C       1.54959  1    109.81919  1    114.21436  1   350 349 347   -0.15660
 C       1.51963  1    114.26050  1    300.72152  1   354 350 349   -0.11230
 C       1.51678  1    109.44309  1    169.75438  1   355 354 350   -0.20300
 H       1.11645  1    110.59907  1     57.27288  1   356 355 354    0.05860
 H       1.11804  1    110.42293  1    177.33460  1   356 355 354    0.06850
 H       1.11715  1    110.32372  1    297.17598  1   356 355 354    0.07960
 C       1.51390  1    111.52895  1    292.07959  1   355 354 350   -0.21030
 H       1.11820  1    110.24845  1     64.38091  1   360 355 354    0.09090
 H       1.11790  1    110.31277  1    183.71629  1   360 355 354    0.06900
 H       1.11645  1    110.73271  1    303.81181  1   360 355 354    0.05070
 H       1.12775  1    109.63513  1     51.77311  1   355 354 350    0.09800
 H       1.12367  1    108.02771  1     63.32812  1   354 350 349    0.12380
 H       1.12150  1    108.30073  1    179.72083  1   354 350 349    0.08020
 H       1.13954  1    106.50904  1    358.49288  1   350 349 347    0.10980
 H       1.00271  1    121.61943  1    359.87633  1   349 347 346    0.28340
 C       1.53945  1    113.45633  1    354.50537  1   346 345   3   -0.17650
 C       1.52189  1    114.00570  1    302.68864  1   369 346 345   -0.09700
 C       1.51819  1    112.87222  1     82.44190  1   370 369 346   -0.22040
 H       1.11936  1    111.58046  1     26.70809  1   371 370 369    0.10730
 H       1.11768  1    110.31766  1    147.08415  1   371 370 369    0.07170
 H       1.11681  1    110.63242  1    266.24807  1   371 370 369    0.08380
 C       1.51717  1    109.42750  1    204.93677  1   370 369 346   -0.21240
 H       1.11810  1    110.80030  1     49.55203  1   375 370 369    0.05670
 H       1.11853  1    110.44020  1    170.00384  1   375 370 369    0.07520
 H       1.11713  1    110.44638  1    289.61552  1   375 370 369    0.08890
 H       1.12332  1    108.14671  1    322.89748  1   370 369 346    0.07470
 H       1.12336  1    110.37029  1     64.66961  1   369 346 345    0.10120
 H       1.12379  1    107.09744  1    181.16253  1   369 346 345    0.08260
 H       1.13106  1    106.88988  1    234.45112  1   346 345   3    0.10950
 H       1.00566  1     43.92766  1    153.33369  1   345   3   2    0.20140
 H       1.00048  1    140.20778  1     93.75460  1   345   3   2    0.13810
 N      10.68735  0    128.65141  0    312.98371  0     3   2   1   -0.34790
 C       1.48631  0     40.52725  0     11.00505  0   385   3   2   -0.05780
 C       1.53547  0    112.47589  0     77.79441  0   386 385   3    0.27970
 O       1.24135  0    121.32684  0    140.32846  0   387 386 385   -0.37280
 N       1.30757  0    113.87122  0    319.51944  0   387 386 385   -0.35940
 C       1.46212  0    123.58756  0    180.87103  0   389 387 386   -0.04580
 C       1.53121  0    108.52389  0    269.83224  0   390 389 387    0.17920
 O       1.23565  0    121.25330  0    262.58399  0   391 390 389   -0.31120
 H       1.10938  1    115.93337  1     81.62635  1   391 390 389    0.10710
 C       1.53230  1    114.04419  1    145.85536  1   390 389 387   -0.12790
 C       1.48691  1    112.40734  1    307.28434  1   394 390 389   -0.09690
 C       1.40122  1    120.71034  1    299.27120  1   395 394 390   -0.13320
 C       1.39430  1    120.53099  1    178.41843  1   396 395 394   -0.10990
 C       1.39627  1    119.73613  1      0.86627  1   397 396 395   -0.11260
 C       1.39391  1    120.00836  1      0.06882  1   398 397 396   -0.14580
 C       1.39410  1    120.25000  1    359.34684  1   399 398 397   -0.14840
 H       1.09968  1    119.87675  1    181.22157  1   400 399 398    0.12060
 H       1.10004  1    119.99646  1    180.88512  1   399 398 397    0.12370
 H       1.10205  1    119.68651  1    181.64033  1   398 397 396    0.14810
 H       1.10984  1    120.57763  1    182.31352  1   397 396 395    0.19240
 H       1.10037  1    119.83489  1    359.80536  1   396 395 394    0.13290
 H       1.12327  1    109.28971  1     70.52523  1   394 390 389    0.10040
 H       1.12298  1    107.31375  1    186.54702  1   394 390 389    0.09310
 H       1.13509  1    107.47759  1     25.57827  1   390 389 387    0.13340
 H       0.99709  1    121.64226  1    346.22183  1   389 387 386    0.23720
 C       1.53750  1    110.14508  1    313.22165  1   386 385   3   -0.08460
 C       1.47126  1    112.24183  1    187.63364  1   410 386 385   -0.12100
 N       1.39557  1    124.27833  1     83.08360  1   411 410 386   -0.14880
 C       1.38878  1    106.82648  1    179.98093  1   412 411 410   -0.10830
 N       1.35743  1    111.49052  1    359.12841  1   413 412 411   -0.20550
 C       1.38669  1    105.85500  1      0.31567  1   414 413 412   -0.19320
 H       1.09048  1    122.02045  1    181.22813  1   415 414 413    0.16920
 H       1.09464  1    123.22083  1    180.13444  1   413 412 411    0.19170
 H       1.00302  1    125.27507  1    355.95888  1   412 411 410    0.31360
 H       1.13116  1    107.68586  1    307.98584  1   410 386 385    0.15070
 H       1.12201  1    110.27743  1     66.11422  1   410 386 385    0.08270
 H       1.13310  1    106.86607  1    195.68356  1   386 385   3    0.16730
 H       0.99875  1     71.09109  1    195.64648  1   385   3   2    0.14310
 H       0.99757  1    124.06808  1     93.38462  1   385   3   2    0.14050
 O       3.37296  0    100.11538  0    322.17998  0     3   2   1   -0.41680
 H       0.96427  1     66.50584  1    283.63924  1   424   3   2    0.21830
 H       0.95968  1    169.36649  1    267.87042  1   424   3   2    0.19420

