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 H       1.12314  1    109.98971  1    340.58852  1   223 219 218    0.08590
 H       1.12295  1    109.89551  1     98.02867  1   223 219 218    0.09370
 H       1.13479  1    106.00500  1    206.65332  1   219 218   3    0.14140
 H       1.00138  1    110.77087  1     54.81708  1   218   3   2    0.14990
 H       1.00152  1     90.42056  1    304.75880  1   218   3   2    0.13160
 N       9.32589  0    148.49850  0    217.13966  0     3   2   1   -0.32190
 C       1.47774  0     57.95963  0    104.42399  0   240   3   2   -0.11420
 C       1.51432  0    111.43394  0     71.58897  0   241 240   3    0.21410
 O       1.23796  0    120.10755  0    131.27173  0   242 241 240   -0.31110
 H       1.10981  1    117.36009  1    309.48778  1   242 241 240    0.10240
 C       1.54633  1    114.45875  1    308.27641  1   241 240   3   -0.13190
 C       1.51434  1    110.49743  1    180.96322  1   245 241 240   -0.22130
 H       1.11816  1    110.81607  1     64.17600  1   246 245 241    0.11160
 H       1.11864  1    110.01541  1    184.49535  1   246 245 241    0.07460
 H       1.11814  1    110.87800  1    303.93187  1   246 245 241    0.08160
 C       1.51495  1    110.38477  1    302.55376  1   245 241 240   -0.22460
 H       1.11724  1    111.36832  1     69.78086  1   250 245 241    0.05000
 H       1.11802  1    110.02501  1    189.29318  1   250 245 241    0.08430
 H       1.11742  1    110.53196  1    308.76233  1   250 245 241    0.09470
 H       1.12909  1    108.35863  1     61.67396  1   245 241 240    0.09650
 H       1.13337  1    106.66801  1    189.20292  1   241 240   3    0.13970
 H       1.00185  1    121.59056  1     11.39755  1   240   3   2    0.14080
 H       1.00386  1     51.25379  1    282.40575  1   240   3   2    0.13620
 N      10.70920  0    161.02234  0    300.98350  0     3   2   1   -0.33350
 C       1.47447  0     83.51123  0     40.16297  0   258   3   2   -0.09950
 C       1.51972  0    110.88294  0     91.41287  0   259 258   3    0.19490
 O       1.23337  0    122.18349  0    206.71515  0   260 259 258   -0.32790
 H       1.11280  1    116.42815  1     29.12938  1   260 259 258    0.09920
 C       1.53208  1    114.34750  1    323.25789  1   259 258   3   -0.20110
 C       1.52315  1    111.74929  1    280.68348  1   263 259 258   -0.10500
 C       1.51482  1    111.05879  1    154.59280  1   264 263 259   -0.21570
 H       1.11680  1    110.59191  1     63.95886  1   265 264 263    0.06990
 H       1.12104  1    109.50390  1    184.33107  1   265 264 263    0.11690
 H       1.11767  1    110.49322  1    303.57853  1   265 264 263    0.06390
 C       1.51585  1    110.95608  1    277.14669  1   264 263 259   -0.22340
 H       1.11648  1    110.67301  1     66.14156  1   269 264 263    0.05570
 H       1.11776  1    110.00940  1    186.33142  1   269 264 263    0.10100
 H       1.11886  1    110.82254  1    305.76887  1   269 264 263    0.08880
 H       1.12767  1    108.93766  1     36.66259  1   264 263 259    0.08420
 H       1.12379  1    109.72929  1     42.77933  1   263 259 258    0.09390
 H       1.12141  1    108.97629  1    159.94217  1   263 259 258    0.10890
 H       1.13630  1    106.57815  1    204.33913  1   259 258   3    0.12260
 H       1.00324  1    101.73847  1    292.51617  1   258   3   2    0.15890
 H       1.00400  1     30.62735  1    187.95346  1   258   3   2    0.14900
 N       8.36458  0     47.62805  0    220.21231  0     3   2   1   -0.33300
 C       1.47835  0     61.24542  0     67.22159  0   279   3   2   -0.03990
 C       1.51781  0    114.00427  0    109.21645  0   280 279   3    0.27720
 O       1.24606  0    120.23596  0    130.28049  0   281 280 279   -0.40700
 N       1.33720  0    121.52500  0    307.87372  0   281 280 279   -0.31300
 C       1.46123  0    119.81866  0    181.42204  0   283 281 280   -0.05200
 C       1.52311  0    110.76539  0    298.61277  0   284 283 281    0.18590
 O       1.22828  0    119.95573  0    154.36018  0   285 284 283   -0.28030
 H       1.11045  1    117.54576  1    334.56710  1   285 284 283    0.09720
 C       1.54124  1    107.59291  1    176.69815  1   284 283 281   -0.15880
 C       1.52361  1    106.42992  1      1.50805  1   288 284 283   -0.17330
 C       1.53801  1    106.72739  1      1.28389  1   289 288 284   -0.02640
 H       1.12635  1    108.74744  1    115.85926  1   290 289 288    0.06800
 H       1.12435  1    110.90713  1    235.35833  1   290 289 288    0.10560
 H       1.11779  1    111.00059  1    121.35820  1   289 288 284    0.08730
 H       1.11974  1    110.95165  1    241.31854  1   289 288 284    0.10820
 H       1.11808  1    110.89830  1    122.78999  1   288 284 283    0.09340
 H       1.12118  1    109.65032  1    241.72306  1   288 284 283    0.11910
 H       1.13346  1    108.85010  1     57.27560  1   284 283 281    0.15230
 C       1.53532  1    113.53006  1    341.03462  1   280 279   3   -0.08990
 C       1.47020  1    112.52389  1    312.27083  1   298 280 279   -0.14210
 C       1.39507  1    125.53119  1    119.02718  1   299 298 280   -0.08450
 N       1.39979  1    110.46111  1    181.43626  1   300 299 298   -0.21070
 C       1.40063  1    107.95815  1    356.62437  1   301 300 299   -0.00080
 C       1.44755  1    108.25118  1      3.20098  1   302 301 300   -0.05070
 C       1.39440  1    119.22856  1    178.49869  1   303 302 301   -0.06200
 C       1.38930  1    118.97622  1    359.72836  1   304 303 302   -0.16730
 C       1.40454  1    121.41498  1      0.14873  1   305 304 303   -0.12150
 C       1.38732  1    121.52259  1      0.03371  1   306 305 304   -0.16230
 H       1.09715  1    121.17865  1    179.68506  1   307 306 305    0.11960
 H       1.09966  1    119.09581  1    179.61754  1   306 305 304    0.11480
 H       1.09952  1    119.49752  1    179.53922  1   305 304 303    0.12640
 H       1.10100  1    120.37346  1    178.86362  1   304 303 302    0.15000
 H       0.98562  1    123.97564  1    197.88812  1   301 300 299    0.24060
 H       1.09641  1    129.51425  1      1.16549  1   300 299 298    0.18790
 H       1.12333  1    110.37828  1     74.88409  1   298 280 279    0.08560
 H       1.12560  1    107.46341  1    191.59406  1   298 280 279    0.12500
 H       1.13631  1    104.81334  1    224.13576  1   280 279   3    0.14200
 H       1.00041  1     51.86100  1    227.52909  1   279   3   2    0.14480
 H       0.99972  1    141.11024  1    154.49758  1   279   3   2    0.13910
 N      11.52547  0     55.38112  0    264.52042  0     3   2   1   -0.34080
 C       1.46046  0     93.60450  0    112.55228  0   319   3   2   -0.09410
 C       1.52047  0    110.87988  0    175.78694  0   320 319   3    0.20640
 O       1.23737  0    120.84914  0    314.34911  0   321 320 319   -0.30630
 H       1.10836  1    116.33772  1    134.87427  1   321 320 319    0.09170
 C       1.54612  1    116.83369  1     51.31158  1   320 319   3   -0.14020
 C       1.52224  1    110.67965  1    296.24580  1   324 320 319   -0.16060
 C       1.50763  1    112.24528  1    169.36053  1   325 324 320   -0.21900
 H       1.11715  1    111.19678  1     65.05451  1   326 325 324    0.07710
 H       1.11897  1    110.07140  1    184.60278  1   326 325 324    0.09230
 H       1.11732  1    110.79998  1    304.43761  1   326 325 324    0.06900
 H       1.12391  1    109.32349  1    291.27840  1   325 324 320    0.08880
 H       1.12378  1    110.05162  1     48.90566  1   325 324 320    0.07970
 C       1.51575  1    109.31192  1    174.07672  1   324 320 319   -0.22130
 H       1.11777  1    110.65798  1     56.39484  1   332 324 320    0.07940
 H       1.11695  1    110.29346  1    176.11915  1   332 324 320    0.08790
 H       1.11741  1    110.78658  1    295.49830  1   332 324 320    0.07000
 H       1.12648  1    108.40219  1     55.42168  1   324 320 319    0.10770
 H       1.13343  1    105.92991  1    292.28462  1   320 319   3    0.10760
 H       1.00364  1     18.40295  1    318.14283  1   319   3   2    0.16500
 H       1.00330  1    108.98514  1    225.18767  1   319   3   2    0.15780
 N      13.81645  0    117.46542  0    317.45664  0     3   2   1   -0.34940
 C       1.46975  0     69.59418  0    265.79365  0   340   3   2   -0.04800
 C       1.51854  0    109.42956  0     87.30937  0   341 340   3    0.27160
 O       1.22712  0    121.44309  0    110.88918  0   342 341 340   -0.42510
 N       1.33274  0    115.72040  0    292.58365  0   342 341 340   -0.36000
 C       1.46052  0    118.46101  0    181.64764  0   344 342 341   -0.02510
 C       1.52566  0    113.35886  0    280.16963  0   345 344 342    0.18530
 O       1.22406  0    121.51706  0    139.04305  0   346 345 344   -0.31970
 H       1.11428  1    115.58415  1    318.89648  1   346 345 344    0.12010
 C       1.54048  1    110.74091  1    159.16689  1   345 344 342   -0.17430
 C       1.52084  1    112.78483  1    187.44125  1   349 345 344   -0.10390
 C       1.51438  1    111.24757  1     76.90216  1   350 349 345   -0.20400
 H       1.11691  1    110.64152  1     59.71647  1   351 350 349    0.07490
 H       1.11665  1    110.21214  1    179.52300  1   351 350 349    0.06280
 H       1.11663  1    110.57817  1    299.47719  1   351 350 349    0.07620
 C       1.51553  1    109.95258  1    199.10011  1   350 349 345   -0.21950
 H       1.11729  1    110.73891  1     57.02519  1   355 350 349    0.06920
 H       1.11753  1    109.90054  1    176.61196  1   355 350 349    0.06360
 H       1.11734  1    110.79138  1    296.66359  1   355 350 349    0.09710
 H       1.12803  1    108.91402  1    317.66522  1   350 349 345    0.09270
 H       1.12289  1    109.26713  1    308.72500  1   349 345 344    0.10060
 H       1.12302  1    108.84358  1     65.30168  1   349 345 344    0.09260
 H       1.13256  1    107.81950  1     39.69197  1   345 344 342    0.11440
 H       1.00462  1    122.45336  1     11.14390  1   344 342 341    0.29580
 C       1.52224  1    114.21568  1    321.59518  1   341 340   3   -0.21740
 H       1.12002  1    111.32450  1     52.70566  1   364 341 340    0.11270
 H       1.11645  1    109.47587  1    173.51724  1   364 341 340    0.07170
 H       1.11681  1    110.00792  1    292.94451  1   364 341 340    0.08380
 H       1.13251  1    106.29033  1    202.06175  1   341 340   3    0.09930
 H       1.00673  1     41.11771  1     98.73335  1   340   3   2    0.18270
 H       1.00262  1    114.41009  1      9.65751  1   340   3   2    0.15080
 N      10.80169  0    132.34688  0    329.70543  0     3   2   1   -0.34790
 C       1.44351  0     37.18078  0     10.67837  0   371   3   2   -0.06720
 C       1.52058  0    113.71970  0     78.47512  0   372 371   3    0.27430
 O       1.22780  0    120.16143  0    128.71132  0   373 372 371   -0.38610
 N       1.33334  0    119.06894  0    308.22080  0   373 372 371   -0.37020
 C       1.46344  0    122.73833  0    184.27316  0   375 373 372   -0.03620
 C       1.51251  0    109.68839  0    272.90895  0   376 375 373    0.18710
 O       1.22625  0    122.47880  0    241.57476  0   377 376 375   -0.31560
 H       1.11347  1    115.20234  1     61.71597  1   377 376 375    0.10160
 C       1.53724  1    112.82115  1    149.40537  1   376 375 373   -0.12530
 C       1.48624  1    112.82282  1    307.52510  1   380 376 375   -0.09130
 C       1.39976  1    120.62620  1    290.06771  1   381 380 376   -0.11770
 C       1.39484  1    120.42772  1    179.20164  1   382 381 380   -0.12280
 C       1.39550  1    119.80561  1      0.74931  1   383 382 381   -0.12830
 C       1.39486  1    120.17070  1    359.46541  1   384 383 382   -0.13920
 C       1.39406  1    119.92438  1      0.06393  1   385 384 383   -0.13960
 H       1.10051  1    119.84122  1    181.45964  1   386 385 384    0.12000
 H       1.10269  1    120.24459  1    181.35279  1   385 384 383    0.13520
 H       1.09997  1    119.69408  1    180.70825  1   384 383 382    0.12380
 H       1.10872  1    119.78109  1    182.76652  1   383 382 381    0.18610
 H       1.10045  1    119.94110  1      0.67797  1   382 381 380    0.13600
 H       1.12324  1    109.09325  1     70.64129  1   380 376 375    0.09880
 H       1.12264  1    107.19419  1    186.33813  1   380 376 375    0.09340
 H       1.13538  1    107.68749  1     29.32417  1   376 375 373    0.13850
 H       0.99650  1    121.44243  1    354.96054  1   375 373 372    0.24510
 C       1.54247  1    111.07134  1    314.49442  1   372 371   3   -0.08570
 C       1.47075  1    111.05745  1    190.54593  1   396 372 371   -0.12350
 N       1.39836  1    124.33620  1     69.77859  1   397 396 372   -0.18470
 C       1.39484  1    106.61080  1    183.13489  1   398 397 396   -0.09870
 N       1.35364  1    111.41868  1    358.03434  1   399 398 397   -0.17390
 C       1.38838  1    106.01673  1      1.18563  1   400 399 398   -0.19110
 H       1.09047  1    121.66879  1    179.75112  1   401 400 399    0.17520
 H       1.09589  1    123.29354  1    178.50528  1   399 398 397    0.20300
 H       0.99757  1    124.54909  1    351.22911  1   398 397 396    0.29320
 H       1.12665  1    108.48296  1    311.77456  1   396 372 371    0.11670
 H       1.12247  1    110.80726  1     69.87928  1   396 372 371    0.09020
 H       1.14220  1    107.34176  1    196.80765  1   372 371   3    0.19910
 H       0.99946  1     77.03926  1    175.02778  1   371   3   2    0.15320
 H       0.99834  1    136.05675  1     69.26862  1   371   3   2    0.14980
 H       4.53856  1    100.02763  1    341.80647  1     3   2   1    0.21130
 O       3.61947  0     99.16701  0    345.70505  0     3   2   1   -0.44140
 H       0.96564  1    103.81848  1    321.50182  1   411 410   3    0.22360

