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 H       1.12313  1    109.85061  1    339.25883  1   223 219 218    0.08470
 H       1.12270  1    109.86739  1     96.63222  1   223 219 218    0.09510
 H       1.13428  1    106.32679  1    206.89016  1   219 218   3    0.13830
 H       1.00149  1    111.65591  1     57.54155  1   218   3   2    0.14920
 H       1.00159  1     89.99626  1    307.61952  1   218   3   2    0.13100
 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   -0.11480
 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    117.35001  1    309.46193  1   242 241 240    0.10260
 C       1.54676  1    114.48886  1    308.51812  1   241 240   3   -0.13260
 C       1.51430  1    110.33969  1    180.89912  1   245 241 240   -0.22120
 H       1.11824  1    110.80383  1     61.28860  1   246 245 241    0.10950
 H       1.11796  1    110.12244  1    181.54839  1   246 245 241    0.08060
 H       1.11813  1    110.76792  1    301.01992  1   246 245 241    0.07640
 C       1.51464  1    110.46299  1    302.45862  1   245 241 240   -0.22410
 H       1.11722  1    111.38182  1     68.62148  1   250 245 241    0.05050
 H       1.11827  1    109.93340  1    187.98512  1   250 245 241    0.08670
 H       1.11723  1    110.56936  1    307.51091  1   250 245 241    0.09370
 H       1.12874  1    108.35082  1     61.58190  1   245 241 240    0.10220
 H       1.13298  1    106.68583  1    189.34305  1   241 240   3    0.13780
 H       1.00192  1    121.15965  1     11.21161  1   240   3   2    0.14130
 H       1.00408  1     51.21145  1    281.93361  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       1.11286  1    116.45402  1     29.06448  1   260 259 258    0.10000
 C       1.53290  1    114.30999  1    323.31369  1   259 258   3   -0.19810
 C       1.52307  1    111.62492  1    279.88147  1   263 259 258   -0.10850
 C       1.51480  1    111.21304  1    153.74174  1   264 263 259   -0.21890
 H       1.11651  1    110.65131  1     66.21611  1   265 264 263    0.06650
 H       1.12197  1    109.45410  1    186.64618  1   265 264 263    0.12420
 H       1.11777  1    110.53041  1    305.77021  1   265 264 263    0.06640
 C       1.51586  1    110.90630  1    276.49183  1   264 263 259   -0.22410
 H       1.11653  1    110.66983  1     67.52362  1   269 264 263    0.05640
 H       1.11774  1    110.04948  1    187.80396  1   269 264 263    0.10200
 H       1.11875  1    110.89676  1    307.18936  1   269 264 263    0.08680
 H       1.12780  1    108.80929  1     35.99138  1   264 263 259    0.08760
 H       1.12385  1    109.69456  1     41.81473  1   263 259 258    0.09350
 H       1.12134  1    109.17305  1    158.95270  1   263 259 258    0.10420
 H       1.13624  1    106.54543  1    204.37491  1   259 258   3    0.12340
 H       1.00349  1     99.89560  1    292.39756  1   258   3   2    0.16070
 H       1.00425  1     31.56139  1    185.30903  1   258   3   2    0.14800
 N       8.36458  0     47.62805  0    220.21231  0     3   2   1   -0.33410
 C       1.47835  0     61.24542  0     67.22159  0   279   3   2   -0.03700
 C       1.51781  0    114.00427  0    109.21645  0   280 279   3    0.28560
 O       1.24606  0    120.23596  0    130.28049  0   281 280 279   -0.42940
 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    0.18670
 O       1.22828  0    119.95573  0    154.36018  0   285 284 283   -0.29270
 H       1.11087  1    117.73883  1    334.56601  1   285 284 283    0.08960
 C       1.54062  1    107.61648  1    176.80040  1   284 283 281   -0.15220
 C       1.52350  1    106.41438  1    358.45601  1   288 284 283   -0.16850
 C       1.53758  1    106.73740  1      2.93015  1   289 288 284   -0.02180
 H       1.12615  1    109.01564  1    116.23525  1   290 289 288    0.05550
 H       1.12403  1    110.52448  1    235.94991  1   290 289 288    0.11630
 H       1.11731  1    111.13631  1    123.30552  1   289 288 284    0.07540
 H       1.12053  1    110.65407  1    243.67853  1   289 288 284    0.11750
 H       1.11804  1    110.97927  1    119.82106  1   288 284 283    0.07870
 H       1.12124  1    109.22069  1    239.12097  1   288 284 283    0.12530
 H       1.13621  1    108.39320  1     58.04160  1   284 283 281    0.17180
 C       1.53575  1    114.28036  1    341.63436  1   280 279   3   -0.10940
 C       1.46875  1    113.21354  1    318.28424  1   298 280 279   -0.13020
 C       1.39463  1    125.83976  1    114.93500  1   299 298 280   -0.08230
 N       1.40129  1    110.44286  1    181.41019  1   300 299 298   -0.21090
 C       1.40029  1    107.95577  1    356.16603  1   301 300 299   -0.00370
 C       1.44808  1    108.17987  1      3.82140  1   302 301 300   -0.06190
 C       1.39417  1    119.30323  1    177.95715  1   303 302 301   -0.05990
 C       1.38885  1    118.97747  1      0.26663  1   304 303 302   -0.17180
 C       1.40442  1    121.35873  1    359.92110  1   305 304 303   -0.12370
 C       1.38773  1    121.55943  1    359.81151  1   306 305 304   -0.16140
 H       1.09707  1    121.17501  1    180.02718  1   307 306 305    0.11990
 H       1.09962  1    119.08364  1    179.65116  1   306 305 304    0.11450
 H       1.09945  1    119.56748  1    179.52349  1   305 304 303    0.12350
 H       1.10032  1    120.09299  1    180.01283  1   304 303 302    0.14490
 H       0.98567  1    123.86103  1    197.73860  1   301 300 299    0.24020
 H       1.09675  1    129.35646  1      1.59115  1   300 299 298    0.18820
 H       1.12470  1    110.44340  1     81.83689  1   298 280 279    0.11860
 H       1.12574  1    107.27120  1    197.67132  1   298 280 279    0.11810
 H       1.13558  1    104.54275  1    224.35553  1   280 279   3    0.12850
 H       1.00118  1     50.54394  1    231.69555  1   279   3   2    0.14570
 H       1.00015  1    137.19473  1    156.63117  1   279   3   2    0.13770
 N      11.52547  0     55.38112  0    264.52042  0     3   2   1   -0.34690
 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    0.20580
 O       1.23737  0    120.84914  0    314.34911  0   321 320 319   -0.30430
 H       1.10828  1    116.34730  1    134.94040  1   321 320 319    0.08810
 C       1.54725  1    115.43287  1     49.80416  1   320 319   3   -0.13970
 C       1.52474  1    109.97487  1    295.65496  1   324 320 319   -0.16240
 C       1.50731  1    113.13340  1    167.35386  1   325 324 320   -0.22770
 H       1.11662  1    111.09877  1     71.89049  1   326 325 324    0.06430
 H       1.12294  1    109.92951  1    191.80319  1   326 325 324    0.12450
 H       1.11748  1    110.78629  1    311.03482  1   326 325 324    0.06730
 H       1.12364  1    109.15232  1    289.66036  1   325 324 320    0.08240
 H       1.12428  1    110.20451  1     47.06794  1   325 324 320    0.08940
 C       1.51347  1    110.03127  1    173.34204  1   324 320 319   -0.21740
 H       1.11746  1    110.79376  1     57.49808  1   332 324 320    0.07290
 H       1.11829  1    109.98891  1    177.31193  1   332 324 320    0.08870
 H       1.11755  1    110.72903  1    296.72286  1   332 324 320    0.06510
 H       1.12665  1    108.39025  1     54.39673  1   324 320 319    0.10960
 H       1.13409  1    105.92406  1    291.77988  1   320 319   3    0.10230
 H       1.00365  1     19.03397  1    319.94561  1   319   3   2    0.16930
 H       1.00332  1    108.25627  1    225.00759  1   319   3   2    0.16050
 N      13.81645  0    117.46542  0    317.45664  0     3   2   1   -0.35060
 C       1.46975  0     69.59418  0    265.79365  0   340   3   2   -0.04820
 C       1.51854  0    109.42956  0     87.30937  0   341 340   3    0.27550
 O       1.22712  0    121.44309  0    110.88918  0   342 341 340   -0.42000
 N       1.33274  0    115.72040  0    292.58365  0   342 341 340   -0.36110
 C       1.46052  0    118.46101  0    181.64764  0   344 342 341   -0.02880
 C       1.52566  0    113.35886  0    280.16963  0   345 344 342    0.18180
 O       1.22406  0    121.51706  0    139.04305  0   346 345 344   -0.31640
 H       1.11453  1    115.53605  1    318.87437  1   346 345 344    0.12160
 C       1.53855  1    112.10322  1    158.20870  1   345 344 342   -0.16790
 C       1.52257  1    111.30688  1    199.98730  1   349 345 344   -0.11480
 C       1.51486  1    111.11857  1     80.66358  1   350 349 345   -0.20990
 H       1.11702  1    110.66319  1     61.98336  1   351 350 349    0.07950
 H       1.11651  1    110.22232  1    181.91159  1   351 350 349    0.07240
 H       1.11704  1    110.65185  1    301.83802  1   351 350 349    0.07610
 C       1.51506  1    110.32815  1    202.91575  1   350 349 345   -0.21040
 H       1.11686  1    110.78094  1     61.31790  1   355 350 349    0.06420
 H       1.11742  1    109.93105  1    181.04961  1   355 350 349    0.06810
 H       1.11719  1    110.57532  1    300.90158  1   355 350 349    0.08430
 H       1.12877  1    108.44810  1    321.60789  1   350 349 345    0.09960
 H       1.12252  1    110.14511  1    321.24625  1   349 345 344    0.09920
 H       1.12209  1    109.02497  1     78.54425  1   349 345 344    0.08600
 H       1.13448  1    107.18307  1     38.86346  1   345 344 342    0.11910
 H       1.00365  1    122.29564  1     12.45735  1   344 342 341    0.29130
 C       1.52234  1    114.48427  1    321.46922  1   341 340   3   -0.21700
 H       1.11974  1    111.31942  1     52.89441  1   364 341 340    0.10700
 H       1.11652  1    109.51455  1    173.71381  1   364 341 340    0.07440
 H       1.11688  1    110.02024  1    293.13618  1   364 341 340    0.08450
 H       1.13277  1    106.17096  1    201.96616  1   341 340   3    0.10160
 H       1.00629  1     42.62284  1    106.18221  1   340   3   2    0.17970
 H       1.00267  1    109.59412  1     11.32600  1   340   3   2    0.15280
 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   -0.06050
 C       1.52058  0    113.71970  0     78.47512  0   372 371   3    0.26730
 O       1.22780  0    120.16143  0    128.71132  0   373 372 371   -0.38750
 N       1.33334  0    119.06894  0    308.22080  0   373 372 371   -0.37010
 C       1.46344  0    122.73833  0    184.27316  0   375 373 372   -0.03470
 C       1.51251  0    109.68839  0    272.90895  0   376 375 373    0.18750
 O       1.22625  0    122.47880  0    241.57476  0   377 376 375   -0.31300
 H       1.11342  1    115.18250  1     61.69300  1   377 376 375    0.10150
 C       1.53688  1    112.68173  1    149.06816  1   376 375 373   -0.12600
 C       1.48663  1    112.61124  1    308.48806  1   380 376 375   -0.09200
 C       1.39991  1    120.58042  1    286.19917  1   381 380 376   -0.11980
 C       1.39420  1    120.39624  1    179.25098  1   382 381 380   -0.13430
 C       1.39560  1    119.92840  1      0.80105  1   383 382 381   -0.12170
 C       1.39484  1    120.06516  1    359.44993  1   384 383 382   -0.13610
 C       1.39441  1    119.94924  1    359.81445  1   385 384 383   -0.13600
 H       1.10103  1    119.82742  1    181.77220  1   386 385 384    0.12260
 H       1.10324  1    120.12518  1    180.77347  1   385 384 383    0.14250
 H       1.10076  1    119.75762  1    180.43626  1   384 383 382    0.13380
 H       1.10639  1    119.96728  1    181.80216  1   383 382 381    0.17050
 H       1.10031  1    119.83483  1      0.45026  1   382 381 380    0.13190
 H       1.12324  1    109.06360  1     71.43451  1   380 376 375    0.10130
 H       1.12247  1    107.27759  1    187.26617  1   380 376 375    0.09430
 H       1.13533  1    107.66109  1     29.18497  1   376 375 373    0.13470
 H       0.99684  1    121.47293  1    355.47272  1   375 373 372    0.24710
 C       1.54352  1    111.66937  1    314.82037  1   372 371   3   -0.09270
 C       1.47286  1    110.87651  1    193.74113  1   396 372 371   -0.10530
 N       1.39779  1    123.89026  1     70.03607  1   397 396 372   -0.17630
 C       1.39332  1    106.73690  1    182.83277  1   398 397 396   -0.10620
 N       1.35430  1    111.44323  1    358.06225  1   399 398 397   -0.19390
 C       1.38978  1    105.94335  1      1.14320  1   400 399 398   -0.19230
 H       1.09067  1    122.10018  1    180.28812  1   401 400 399    0.17280
 H       1.09515  1    122.90050  1    178.23342  1   399 398 397    0.19630
 H       0.99873  1    124.57783  1    350.95191  1   398 397 396    0.29690
 H       1.12716  1    108.61312  1    314.75643  1   396 372 371    0.12150
 H       1.12205  1    110.93969  1     72.82900  1   396 372 371    0.09450
 H       1.14230  1    106.96661  1    196.64969  1   372 371   3    0.19720
 H       0.99944  1     77.05133  1    175.52166  1   371   3   2    0.15510
 H       0.99820  1    135.90674  1     69.57660  1   371   3   2    0.15170
 H       4.39509  1    104.69849  1    339.63971  1     3   2   1    0.20910
 O       3.61947  0     99.16701  0    345.70505  0     3   2   1   -0.43290
 H       0.96419  1    103.77706  1    317.54728  1   411 410   3    0.21740

