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 H       1.12359  1    109.79846  1    339.25204  1   223 219 218    0.08450
 H       1.12277  1    110.00428  1     96.58516  1   223 219 218    0.09470
 H       1.13382  1    106.39129  1    207.17545  1   219 218   3    0.13870
 H       1.00149  1    111.66098  1     57.56680  1   218   3   2    0.14920
 H       1.00159  1     90.00184  1    307.63183  1   218   3   2    0.13110
 N       9.32589  0    148.49850  0    217.13966  0     3   2   1   -0.32350
 C       1.47774  0     57.95963  0    104.42399  0   240   3   2   -0.11470
 C       1.51432  0    111.43394  0     71.58897  0   241 240   3    0.21690
 O       1.23796  0    120.10755  0    131.27173  0   242 241 240   -0.31840
 H       1.10988  1    117.35302  1    309.37478  1   242 241 240    0.10260
 C       1.54680  1    114.51899  1    308.52585  1   241 240   3   -0.13270
 C       1.51431  1    110.32294  1    180.89982  1   245 241 240   -0.22120
 H       1.11829  1    110.79959  1     61.24243  1   246 245 241    0.10950
 H       1.11787  1    110.10451  1    181.44257  1   246 245 241    0.08060
 H       1.11810  1    110.76895  1    300.97155  1   246 245 241    0.07650
 C       1.51470  1    110.47652  1    302.46401  1   245 241 240   -0.22310
 H       1.11721  1    111.38705  1     68.65317  1   250 245 241    0.05050
 H       1.11828  1    109.94295  1    188.02160  1   250 245 241    0.08660
 H       1.11719  1    110.57808  1    307.55256  1   250 245 241    0.09270
 H       1.12863  1    108.36279  1     61.58576  1   245 241 240    0.10220
 H       1.13301  1    106.68637  1    189.31957  1   241 240   3    0.13780
 H       1.00192  1    121.16580  1     11.20795  1   240   3   2    0.14120
 H       1.00408  1     51.21763  1    281.94128  1   240   3   2    0.13820
 N      10.70920  0    161.02234  0    300.98350  0     3   2   1   -0.33120
 C       1.47447  0     83.51123  0     40.16297  0   258   3   2   -0.10130
 C       1.51972  0    110.88294  0     91.41287  0   259 258   3    0.19650
 O       1.23337  0    122.18349  0    206.71515  0   260 259 258   -0.33250
 H       1.11287  1    116.45105  1     29.17541  1   260 259 258    0.10000
 C       1.53269  1    114.28496  1    323.30374  1   259 258   3   -0.19820
 C       1.52316  1    111.60225  1    279.89795  1   263 259 258   -0.10850
 C       1.51476  1    111.22141  1    153.76049  1   264 263 259   -0.21890
 H       1.11648  1    110.64195  1     66.21953  1   265 264 263    0.06660
 H       1.12195  1    109.45095  1    186.64356  1   265 264 263    0.12420
 H       1.11777  1    110.52802  1    305.77262  1   265 264 263    0.06640
 C       1.51577  1    110.91844  1    276.52456  1   264 263 259   -0.22410
 H       1.11652  1    110.66697  1     67.52289  1   269 264 263    0.05640
 H       1.11775  1    110.04125  1    187.78768  1   269 264 263    0.10200
 H       1.11873  1    110.89454  1    307.18053  1   269 264 263    0.08670
 H       1.12784  1    108.80899  1     35.99285  1   264 263 259    0.08760
 H       1.12382  1    109.68527  1     41.81608  1   263 259 258    0.09360
 H       1.12128  1    109.16270  1    158.95350  1   263 259 258    0.10420
 H       1.13622  1    106.55632  1    204.37206  1   259 258   3    0.12340
 H       1.00350  1     99.87218  1    292.40954  1   258   3   2    0.16060
 H       1.00426  1     31.56602  1    185.30088  1   258   3   2    0.14810
 N       8.36458  0     47.62805  0    220.21231  0     3   2   1   -0.33430
 C       1.47835  0     61.24542  0     67.22159  0   279   3   2   -0.03690
 C       1.51781  0    114.00427  0    109.21645  0   280 279   3    0.28520
 O       1.24606  0    120.23596  0    130.28049  0   281 280 279   -0.42990
 N       1.33720  0    121.52500  0    307.87372  0   281 280 279   -0.29020
 C       1.46123  0    119.81866  0    181.42204  0   283 281 280   -0.04720
 C       1.52311  0    110.76539  0    298.61277  0   284 283 281    0.18660
 O       1.22828  0    119.95573  0    154.36018  0   285 284 283   -0.29230
 H       1.11087  1    117.73909  1    334.61265  1   285 284 283    0.08970
 C       1.54061  1    107.62041  1    176.85010  1   284 283 281   -0.15200
 C       1.52355  1    106.41934  1    358.60267  1   288 284 283   -0.16880
 C       1.53751  1    106.74151  1      2.82365  1   289 288 284   -0.02210
 H       1.12621  1    109.01249  1    116.34814  1   290 289 288    0.05590
 H       1.12396  1    110.50463  1    236.16083  1   290 289 288    0.11620
 H       1.11722  1    111.16896  1    123.26064  1   289 288 284    0.07570
 H       1.12031  1    110.67001  1    243.68893  1   289 288 284    0.11780
 H       1.11791  1    111.02809  1    119.85417  1   288 284 283    0.07830
 H       1.12126  1    109.25732  1    239.15704  1   288 284 283    0.12560
 H       1.13607  1    108.42767  1     58.15194  1   284 283 281    0.17180
 C       1.53694  1    113.96926  1    341.59539  1   280 279   3   -0.10870
 C       1.46938  1    113.03623  1    318.06715  1   298 280 279   -0.13260
 C       1.39497  1    125.98232  1    114.45066  1   299 298 280   -0.08150
 N       1.40073  1    110.41287  1    181.07922  1   300 299 298   -0.20860
 C       1.40021  1    107.98401  1    355.92815  1   301 300 299   -0.01320
 C       1.44819  1    108.17933  1      3.74141  1   302 301 300   -0.05450
 C       1.39422  1    119.30059  1    178.02734  1   303 302 301   -0.07010
 C       1.38884  1    118.97712  1      0.26241  1   304 303 302   -0.16560
 C       1.40440  1    121.35823  1    359.90770  1   305 304 303   -0.12570
 C       1.38791  1    121.55788  1    359.78252  1   306 305 304   -0.15670
 H       1.09710  1    121.18074  1    180.02030  1   307 306 305    0.11980
 H       1.09960  1    119.07461  1    179.47402  1   306 305 304    0.11450
 H       1.09943  1    119.54848  1    179.54405  1   305 304 303    0.12340
 H       1.10039  1    120.09384  1    180.08569  1   304 303 302    0.14690
 H       0.98579  1    123.94218  1    197.68357  1   301 300 299    0.24000
 H       1.09687  1    129.43614  1      1.57459  1   300 299 298    0.18960
 H       1.12436  1    110.52221  1     81.88031  1   298 280 279    0.11840
 H       1.12562  1    107.39710  1    197.77704  1   298 280 279    0.11710
 H       1.13475  1    104.78028  1    224.32267  1   280 279   3    0.12870
 H       1.00122  1     50.54886  1    231.68475  1   279   3   2    0.14610
 H       1.00024  1    137.26313  1    156.63638  1   279   3   2    0.13770
 N      11.52547  0     55.38112  0    264.52042  0     3   2   1   -0.34790
 C       1.46046  0     93.60450  0    112.55228  0   319   3   2   -0.09400
 C       1.52047  0    110.87988  0    175.78694  0   320 319   3    0.20590
 O       1.23737  0    120.84914  0    314.34911  0   321 320 319   -0.30440
 H       1.10826  1    116.34373  1    134.85471  1   321 320 319    0.08810
 C       1.54711  1    115.37639  1     49.78995  1   320 319   3   -0.13970
 C       1.52501  1    109.95302  1    295.65671  1   324 320 319   -0.16240
 C       1.50718  1    113.14611  1    167.34722  1   325 324 320   -0.22790
 H       1.11662  1    111.08434  1     71.89214  1   326 325 324    0.06440
 H       1.12294  1    109.98163  1    191.80269  1   326 325 324    0.12430
 H       1.11751  1    110.76073  1    311.07497  1   326 325 324    0.06730
 H       1.12355  1    109.16344  1    289.64762  1   325 324 320    0.08250
 H       1.12429  1    110.23515  1     47.02394  1   325 324 320    0.08940
 C       1.51335  1    110.06453  1    173.33706  1   324 320 319   -0.21730
 H       1.11746  1    110.79264  1     57.44353  1   332 324 320    0.07290
 H       1.11831  1    109.97382  1    177.21637  1   332 324 320    0.08870
 H       1.11756  1    110.72019  1    296.65627  1   332 324 320    0.06510
 H       1.12668  1    108.37253  1     54.41579  1   324 320 319    0.10950
 H       1.13406  1    105.93630  1    291.78077  1   320 319   3    0.10240
 H       1.00361  1     19.03653  1    320.01537  1   319   3   2    0.16920
 H       1.00328  1    108.26999  1    225.01272  1   319   3   2    0.16150
 N      13.81645  0    117.46542  0    317.45664  0     3   2   1   -0.35010
 C       1.46975  0     69.59418  0    265.79365  0   340   3   2   -0.04840
 C       1.51854  0    109.42956  0     87.30937  0   341 340   3    0.27540
 O       1.22712  0    121.44309  0    110.88918  0   342 341 340   -0.42010
 N       1.33274  0    115.72040  0    292.58365  0   342 341 340   -0.36130
 C       1.46052  0    118.46101  0    181.64764  0   344 342 341   -0.02860
 C       1.52566  0    113.35886  0    280.16963  0   345 344 342    0.18130
 O       1.22406  0    121.51706  0    139.04305  0   346 345 344   -0.31620
 H       1.11453  1    115.54575  1    318.96033  1   346 345 344    0.12140
 C       1.53864  1    112.08891  1    158.28721  1   345 344 342   -0.16820
 C       1.52263  1    111.32042  1    200.03630  1   349 345 344   -0.11400
 C       1.51492  1    111.11001  1     80.66323  1   350 349 345   -0.21020
 H       1.11701  1    110.66527  1     61.98486  1   351 350 349    0.07950
 H       1.11650  1    110.22881  1    181.90888  1   351 350 349    0.07240
 H       1.11706  1    110.65742  1    301.84157  1   351 350 349    0.07610
 C       1.51510  1    110.31092  1    202.91977  1   350 349 345   -0.21050
 H       1.11690  1    110.78036  1     61.27628  1   355 350 349    0.06430
 H       1.11745  1    109.93708  1    181.04003  1   355 350 349    0.06810
 H       1.11715  1    110.59177  1    300.85663  1   355 350 349    0.08400
 H       1.12871  1    108.45423  1    321.60473  1   350 349 345    0.09960
 H       1.12239  1    110.17012  1    321.28858  1   349 345 344    0.09920
 H       1.12217  1    109.00884  1     78.54476  1   349 345 344    0.08600
 H       1.13456  1    107.17269  1     38.81218  1   345 344 342    0.11920
 H       1.00368  1    122.30088  1     12.35210  1   344 342 341    0.29140
 C       1.52227  1    114.48630  1    321.48119  1   341 340   3   -0.21710
 H       1.11975  1    111.31533  1     52.89571  1   364 341 340    0.10720
 H       1.11654  1    109.50785  1    173.71378  1   364 341 340    0.07440
 H       1.11687  1    110.02787  1    293.13830  1   364 341 340    0.08450
 H       1.13278  1    106.16934  1    201.96483  1   341 340   3    0.10170
 H       1.00629  1     42.52636  1    105.98652  1   340   3   2    0.17930
 H       1.00267  1    109.66186  1     11.30055  1   340   3   2    0.15290
 N      10.80169  0    132.34688  0    329.70543  0     3   2   1   -0.34770
 C       1.44351  0     37.18078  0     10.67837  0   371   3   2   -0.06070
 C       1.52058  0    113.71970  0     78.47512  0   372 371   3    0.26760
 O       1.22780  0    120.16143  0    128.71132  0   373 372 371   -0.38760
 N       1.33334  0    119.06894  0    308.22080  0   373 372 371   -0.37000
 C       1.46344  0    122.73833  0    184.27316  0   375 373 372   -0.03450
 C       1.51251  0    109.68839  0    272.90895  0   376 375 373    0.18740
 O       1.22625  0    122.47880  0    241.57476  0   377 376 375   -0.31300
 H       1.11341  1    115.18212  1     61.75928  1   377 376 375    0.10140
 C       1.53696  1    112.70493  1    149.08676  1   376 375 373   -0.12600
 C       1.48655  1    112.62231  1    308.48961  1   380 376 375   -0.09200
 C       1.39988  1    120.49644  1    286.14366  1   381 380 376   -0.11970
 C       1.39399  1    120.39368  1    179.25839  1   382 381 380   -0.13390
 C       1.39556  1    119.92447  1      0.80885  1   383 382 381   -0.12210
 C       1.39487  1    120.06331  1    359.46009  1   384 383 382   -0.13620
 C       1.39465  1    119.94758  1    359.83048  1   385 384 383   -0.13610
 H       1.10105  1    119.82649  1    181.78421  1   386 385 384    0.12260
 H       1.10323  1    120.12194  1    180.69394  1   385 384 383    0.14240
 H       1.10071  1    119.75598  1    180.40455  1   384 383 382    0.13370
 H       1.10647  1    119.96753  1    181.82402  1   383 382 381    0.17100
 H       1.10030  1    119.83785  1      0.42375  1   382 381 380    0.13180
 H       1.12317  1    109.07580  1     71.40657  1   380 376 375    0.10120
 H       1.12250  1    107.24480  1    187.23642  1   380 376 375    0.09430
 H       1.13533  1    107.67755  1     29.16018  1   376 375 373    0.13480
 H       0.99688  1    121.44961  1    355.52337  1   375 373 372    0.24710
 C       1.54383  1    111.49124  1    314.72609  1   372 371   3   -0.09260
 C       1.47252  1    111.04356  1    193.72381  1   396 372 371   -0.10520
 N       1.39749  1    123.88839  1     69.83556  1   397 396 372   -0.17620
 C       1.39324  1    106.73759  1    182.60916  1   398 397 396   -0.10680
 N       1.35414  1    111.44148  1    357.97493  1   399 398 397   -0.19390
 C       1.38952  1    105.94209  1      1.15140  1   400 399 398   -0.19290
 H       1.09074  1    122.08921  1    180.28131  1   401 400 399    0.17320
 H       1.09512  1    122.89797  1    178.24842  1   399 398 397    0.19620
 H       0.99878  1    124.67922  1    350.88241  1   398 397 396    0.29720
 H       1.12693  1    108.60681  1    314.70696  1   396 372 371    0.12150
 H       1.12220  1    110.87670  1     72.76890  1   396 372 371    0.09440
 H       1.14217  1    107.07668  1    196.71155  1   372 371   3    0.19720
 H       0.99945  1     77.04778  1    175.50623  1   371   3   2    0.15510
 H       0.99821  1    135.91746  1     69.58114  1   371   3   2    0.15150
 H       4.39927  1    104.52137  1    339.51528  1     3   2   1    0.20950
 O       3.61947  0     99.16701  0    345.70505  0     3   2   1   -0.43300
 H       0.96440  1    103.74014  1    317.64991  1   411 410   3    0.21710

