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 H       1.12339  1    109.90216  1    339.75421  1   223 219 218    0.08500
 H       1.12301  1    109.85936  1     97.04251  1   223 219 218    0.09520
 H       1.13379  1    106.47694  1    207.14124  1   219 218   3    0.13900
 H       1.00140  1    111.71476  1     57.72219  1   218   3   2    0.14940
 H       1.00153  1     90.01482  1    307.67026  1   218   3   2    0.13160
 N       9.32589  0    148.49850  0    217.13966  0     3   2   1   -0.32380
 C       1.47774  0     57.95963  0    104.42399  0   240   3   2   -0.11390
 C       1.51432  0    111.43394  0     71.58897  0   241 240   3    0.21650
 O       1.23796  0    120.10755  0    131.27173  0   242 241 240   -0.31760
 H       1.10988  1    117.35724  1    309.45440  1   242 241 240    0.10280
 C       1.54672  1    114.49657  1    308.47114  1   241 240   3   -0.13370
 C       1.51432  1    110.36799  1    180.98055  1   245 241 240   -0.22100
 H       1.11826  1    110.80581  1     61.80649  1   246 245 241    0.10970
 H       1.11808  1    110.07515  1    182.02359  1   246 245 241    0.07920
 H       1.11810  1    110.78292  1    301.53967  1   246 245 241    0.07720
 C       1.51466  1    110.46944  1    302.56444  1   245 241 240   -0.22250
 H       1.11735  1    111.37615  1     68.81727  1   250 245 241    0.05070
 H       1.11813  1    109.93625  1    188.22887  1   250 245 241    0.08630
 H       1.11725  1    110.57286  1    307.71509  1   250 245 241    0.09240
 H       1.12881  1    108.34333  1     61.68028  1   245 241 240    0.10210
 H       1.13304  1    106.68096  1    189.31307  1   241 240   3    0.13770
 H       1.00190  1    121.25219  1     11.24565  1   240   3   2    0.14140
 H       1.00404  1     51.22705  1    282.00850  1   240   3   2    0.13830
 N      10.70920  0    161.02234  0    300.98350  0     3   2   1   -0.33140
 C       1.47447  0     83.51123  0     40.16297  0   258   3   2   -0.10040
 C       1.51972  0    110.88294  0     91.41287  0   259 258   3    0.19600
 O       1.23337  0    122.18349  0    206.71515  0   260 259 258   -0.33200
 H       1.11286  1    116.45456  1     29.09361  1   260 259 258    0.10020
 C       1.53273  1    114.29220  1    323.34886  1   259 258   3   -0.19830
 C       1.52307  1    111.63890  1    280.00046  1   263 259 258   -0.10860
 C       1.51479  1    111.22001  1    153.95906  1   264 263 259   -0.21870
 H       1.11647  1    110.62680  1     66.30546  1   265 264 263    0.06660
 H       1.12194  1    109.44159  1    186.71084  1   265 264 263    0.12350
 H       1.11775  1    110.53754  1    305.83985  1   265 264 263    0.06600
 C       1.51588  1    110.89999  1    276.67589  1   264 263 259   -0.22400
 H       1.11651  1    110.67350  1     67.47087  1   269 264 263    0.05640
 H       1.11774  1    110.04294  1    187.75521  1   269 264 263    0.10220
 H       1.11877  1    110.88285  1    307.13132  1   269 264 263    0.08680
 H       1.12781  1    108.82194  1     36.19940  1   264 263 259    0.08760
 H       1.12383  1    109.70404  1     41.96075  1   263 259 258    0.09380
 H       1.12132  1    109.12246  1    159.11580  1   263 259 258    0.10460
 H       1.13623  1    106.54174  1    204.36728  1   259 258   3    0.12310
 H       1.00348  1     99.83399  1    292.39263  1   258   3   2    0.16040
 H       1.00425  1     31.55964  1    185.22295  1   258   3   2    0.14800
 N       8.36458  0     47.62805  0    220.21231  0     3   2   1   -0.33460
 C       1.47835  0     61.24542  0     67.22159  0   279   3   2   -0.03670
 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   -0.43210
 N       1.33720  0    121.52500  0    307.87372  0   281 280 279   -0.28790
 C       1.46123  0    119.81866  0    181.42204  0   283 281 280   -0.04590
 C       1.52311  0    110.76539  0    298.61277  0   284 283 281    0.18640
 O       1.22828  0    119.95573  0    154.36018  0   285 284 283   -0.29290
 H       1.11090  1    117.75133  1    334.57480  1   285 284 283    0.08960
 C       1.54139  1    107.56116  1    176.96056  1   284 283 281   -0.15160
 C       1.52342  1    106.43257  1    359.10555  1   288 284 283   -0.16840
 C       1.53714  1    106.75579  1      2.27080  1   289 288 284   -0.02140
 H       1.12624  1    108.93326  1    116.70155  1   290 289 288    0.05520
 H       1.12416  1    110.46010  1    236.55416  1   290 289 288    0.11680
 H       1.11731  1    111.14636  1    122.71775  1   289 288 284    0.07490
 H       1.12019  1    110.68369  1    243.15581  1   289 288 284    0.11780
 H       1.11785  1    111.02068  1    120.49536  1   288 284 283    0.07880
 H       1.12101  1    109.20608  1    239.85860  1   288 284 283    0.12460
 H       1.13582  1    108.41844  1     58.16495  1   284 283 281    0.17080
 C       1.53635  1    114.05014  1    341.81922  1   280 279   3   -0.10740
 C       1.46908  1    113.22166  1    317.43044  1   298 280 279   -0.13170
 C       1.39519  1    125.72857  1    114.75981  1   299 298 280   -0.08280
 N       1.40030  1    110.41252  1    180.53922  1   300 299 298   -0.21090
 C       1.39963  1    108.02335  1    356.51105  1   301 300 299   -0.00330
 C       1.44814  1    108.18506  1      3.21111  1   302 301 300   -0.06240
 C       1.39466  1    119.29024  1    178.55044  1   303 302 301   -0.06000
 C       1.38872  1    118.97764  1      0.30145  1   304 303 302   -0.17110
 C       1.40586  1    121.36187  1    359.49999  1   305 304 303   -0.12350
 C       1.38718  1    121.55561  1      0.28820  1   306 305 304   -0.16110
 H       1.09719  1    121.17520  1    179.97820  1   307 306 305    0.12020
 H       1.09964  1    119.06885  1    179.75743  1   306 305 304    0.11490
 H       1.09945  1    119.56678  1    178.85517  1   305 304 303    0.12420
 H       1.10024  1    120.11565  1    179.97665  1   304 303 302    0.14460
 H       0.98543  1    124.13651  1    196.81656  1   301 300 299    0.24140
 H       1.09659  1    129.32018  1      0.82327  1   300 299 298    0.18790
 H       1.12478  1    110.48740  1     81.10963  1   298 280 279    0.11800
 H       1.12575  1    107.28806  1    196.85181  1   298 280 279    0.11610
 H       1.13515  1    104.68419  1    224.41993  1   280 279   3    0.12870
 H       1.00111  1     50.71216  1    231.03310  1   279   3   2    0.14590
 H       1.00016  1    137.80917  1    156.31670  1   279   3   2    0.13800
 N      11.52547  0     55.38112  0    264.52042  0     3   2   1   -0.34830
 C       1.46046  0     93.60450  0    112.55228  0   319   3   2   -0.09380
 C       1.52047  0    110.87988  0    175.78694  0   320 319   3    0.20600
 O       1.23737  0    120.84914  0    314.34911  0   321 320 319   -0.30400
 H       1.10825  1    116.33250  1    134.95150  1   321 320 319    0.08850
 C       1.54728  1    115.27246  1     49.76172  1   320 319   3   -0.13940
 C       1.52509  1    109.87831  1    295.89724  1   324 320 319   -0.16320
 C       1.50724  1    113.12010  1    167.27672  1   325 324 320   -0.22470
 H       1.11665  1    111.10514  1     71.69842  1   326 325 324    0.06510
 H       1.12216  1    109.92638  1    191.64901  1   326 325 324    0.11680
 H       1.11748  1    110.74285  1    310.86122  1   326 325 324    0.06890
 H       1.12368  1    109.09396  1    289.50355  1   325 324 320    0.08260
 H       1.12423  1    110.34641  1     46.92633  1   325 324 320    0.09040
 C       1.51324  1    110.11556  1    173.64347  1   324 320 319   -0.21740
 H       1.11739  1    110.84016  1     56.24963  1   332 324 320    0.07340
 H       1.11837  1    109.93088  1    176.13090  1   332 324 320    0.08830
 H       1.11755  1    110.64689  1    295.54062  1   332 324 320    0.06590
 H       1.12662  1    108.39513  1     54.55473  1   324 320 319    0.10970
 H       1.13400  1    105.98757  1    291.79132  1   320 319   3    0.10240
 H       1.00344  1     19.30819  1    321.08898  1   319   3   2    0.16920
 H       1.00323  1    107.92791  1    224.97137  1   319   3   2    0.16190
 N      13.81645  0    117.46542  0    317.45664  0     3   2   1   -0.35270
 C       1.46975  0     69.59418  0    265.79365  0   340   3   2   -0.04730
 C       1.51854  0    109.42956  0     87.30937  0   341 340   3    0.27500
 O       1.22712  0    121.44309  0    110.88918  0   342 341 340   -0.42080
 N       1.33274  0    115.72040  0    292.58365  0   342 341 340   -0.36090
 C       1.46052  0    118.46101  0    181.64764  0   344 342 341   -0.02890
 C       1.52566  0    113.35886  0    280.16963  0   345 344 342    0.18190
 O       1.22406  0    121.51706  0    139.04305  0   346 345 344   -0.31650
 H       1.11450  1    115.54817  1    318.91490  1   346 345 344    0.12140
 C       1.53859  1    112.13721  1    158.19614  1   345 344 342   -0.16730
 C       1.52262  1    111.27253  1    201.10159  1   349 345 344   -0.11510
 C       1.51490  1    111.07506  1     80.78735  1   350 349 345   -0.20870
 H       1.11700  1    110.64472  1     61.92569  1   351 350 349    0.07860
 H       1.11654  1    110.23807  1    181.86380  1   351 350 349    0.07170
 H       1.11707  1    110.66202  1    301.78087  1   351 350 349    0.07540
 C       1.51513  1    110.29238  1    202.99761  1   350 349 345   -0.21030
 H       1.11690  1    110.75272  1     62.93667  1   355 350 349    0.06440
 H       1.11733  1    109.95936  1    182.69025  1   355 350 349    0.06830
 H       1.11726  1    110.57723  1    302.55258  1   355 350 349    0.08470
 H       1.12871  1    108.44795  1    321.75078  1   350 349 345    0.09960
 H       1.12242  1    110.23339  1    322.45694  1   349 345 344    0.09920
 H       1.12214  1    109.01574  1     79.76088  1   349 345 344    0.08600
 H       1.13461  1    107.14974  1     38.79639  1   345 344 342    0.11870
 H       1.00375  1    122.34000  1     12.08289  1   344 342 341    0.29170
 C       1.52228  1    114.44028  1    321.47848  1   341 340   3   -0.21700
 H       1.11977  1    111.32400  1     52.89308  1   364 341 340    0.10770
 H       1.11651  1    109.49953  1    173.71468  1   364 341 340    0.07400
 H       1.11688  1    110.01699  1    293.13370  1   364 341 340    0.08450
 H       1.13275  1    106.17959  1    201.97177  1   341 340   3    0.10150
 H       1.00643  1     42.31111  1    105.07335  1   340   3   2    0.18040
 H       1.00267  1    110.32091  1     11.09749  1   340   3   2    0.15360
 N      10.80169  0    132.34688  0    329.70543  0     3   2   1   -0.34800
 C       1.44351  0     37.18078  0     10.67837  0   371   3   2   -0.06020
 C       1.52058  0    113.71970  0     78.47512  0   372 371   3    0.26890
 O       1.22780  0    120.16143  0    128.71132  0   373 372 371   -0.38870
 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   -0.03460
 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   -0.31330
 H       1.11342  1    115.18776  1     61.72948  1   377 376 375    0.10140
 C       1.53690  1    112.69111  1    149.10638  1   376 375 373   -0.12590
 C       1.48646  1    112.65903  1    308.34571  1   380 376 375   -0.09230
 C       1.39976  1    120.51336  1    287.33970  1   381 380 376   -0.11940
 C       1.39434  1    120.41013  1    179.04838  1   382 381 380   -0.13030
 C       1.39556  1    119.87280  1      0.78414  1   383 382 381   -0.12390
 C       1.39493  1    120.10134  1    359.40639  1   384 383 382   -0.13600
 C       1.39395  1    119.95592  1    359.91229  1   385 384 383   -0.13710
 H       1.10086  1    119.83908  1    181.67083  1   386 385 384    0.12200
 H       1.10315  1    120.31030  1    180.90615  1   385 384 383    0.14020
 H       1.10064  1    119.73975  1    180.38779  1   384 383 382    0.13220
 H       1.10693  1    119.91553  1    181.87909  1   383 382 381    0.17360
 H       1.10035  1    119.85984  1      0.19085  1   382 381 380    0.13270
 H       1.12319  1    109.06720  1     71.35793  1   380 376 375    0.10080
 H       1.12260  1    107.21762  1    187.15025  1   380 376 375    0.09430
 H       1.13535  1    107.66904  1     29.20436  1   376 375 373    0.13520
 H       0.99684  1    121.46453  1    355.43074  1   375 373 372    0.24700
 C       1.54318  1    111.49880  1    314.99640  1   372 371   3   -0.09280
 C       1.47227  1    111.38111  1    193.32234  1   396 372 371   -0.10670
 N       1.39754  1    123.96007  1     68.79003  1   397 396 372   -0.17710
 C       1.39286  1    106.75637  1    182.00338  1   398 397 396   -0.10490
 N       1.35451  1    111.43985  1    357.97961  1   399 398 397   -0.19630
 C       1.38966  1    105.92517  1      1.39709  1   400 399 398   -0.19330
 H       1.09098  1    121.95296  1    179.57099  1   401 400 399    0.17490
 H       1.09522  1    122.95168  1    178.40988  1   399 398 397    0.19740
 H       0.99891  1    124.68563  1    350.96086  1   398 397 396    0.29780
 H       1.12736  1    108.50510  1    314.31794  1   396 372 371    0.12100
 H       1.12229  1    110.88250  1     72.20409  1   396 372 371    0.09390
 H       1.14189  1    107.12375  1    196.82576  1   372 371   3    0.19700
 H       0.99944  1     77.07838  1    175.37619  1   371   3   2    0.15530
 H       0.99821  1    135.98682  1     69.41377  1   371   3   2    0.15150
 H       4.43550  1    103.22062  1    339.56063  1     3   2   1    0.20880
 O       3.61947  0     99.16701  0    345.70505  0     3   2   1   -0.43210
 H       0.96433  1    103.87354  1    318.92857  1   411 410   3    0.21690

