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 H       1.12348  1    109.84176  1    339.10207  1   223 219 218    0.08460
 H       1.12306  1    109.83565  1     96.34964  1   223 219 218    0.09420
 H       1.13420  1    106.35386  1    206.95062  1   219 218   3    0.13830
 H       1.00146  1    111.68481  1     57.64657  1   218   3   2    0.14910
 H       1.00158  1     89.99682  1    307.68558  1   218   3   2    0.13120
 N       9.32589  0    148.49850  0    217.13966  0     3   2   1   -0.32390
 C       1.47774  0     57.95963  0    104.42399  0   240   3   2   -0.11460
 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   -0.31820
 H       1.10987  1    117.35474  1    309.36730  1   242 241 240    0.10280
 C       1.54674  1    114.50612  1    308.49688  1   241 240   3   -0.13340
 C       1.51431  1    110.35169  1    180.93956  1   245 241 240   -0.22090
 H       1.11826  1    110.80207  1     61.74427  1   246 245 241    0.10940
 H       1.11793  1    110.11034  1    181.96055  1   246 245 241    0.08010
 H       1.11811  1    110.77780  1    301.47289  1   246 245 241    0.07690
 C       1.51465  1    110.45799  1    302.51107  1   245 241 240   -0.22370
 H       1.11724  1    111.37087  1     68.78197  1   250 245 241    0.05040
 H       1.11824  1    109.93426  1    188.15009  1   250 245 241    0.08660
 H       1.11722  1    110.57180  1    307.67595  1   250 245 241    0.09350
 H       1.12873  1    108.33263  1     61.62754  1   245 241 240    0.10250
 H       1.13302  1    106.67994  1    189.32255  1   241 240   3    0.13770
 H       1.00191  1    121.20776  1     11.23031  1   240   3   2    0.14150
 H       1.00408  1     51.21441  1    281.98150  1   240   3   2    0.13830
 N      10.70920  0    161.02234  0    300.98350  0     3   2   1   -0.33130
 C       1.47447  0     83.51123  0     40.16297  0   258   3   2   -0.10100
 C       1.51972  0    110.88294  0     91.41287  0   259 258   3    0.19630
 O       1.23337  0    122.18349  0    206.71515  0   260 259 258   -0.33230
 H       1.11286  1    116.45460  1     29.17126  1   260 259 258    0.09990
 C       1.53292  1    114.29527  1    323.35554  1   259 258   3   -0.19810
 C       1.52301  1    111.64695  1    279.87404  1   263 259 258   -0.10850
 C       1.51480  1    111.21782  1    153.82036  1   264 263 259   -0.21870
 H       1.11648  1    110.63736  1     66.22587  1   265 264 263    0.06650
 H       1.12194  1    109.45213  1    186.65255  1   265 264 263    0.12400
 H       1.11777  1    110.53456  1    305.77798  1   265 264 263    0.06640
 C       1.51592  1    110.88845  1    276.53958  1   264 263 259   -0.22410
 H       1.11651  1    110.67543  1     67.49165  1   269 264 263    0.05640
 H       1.11772  1    110.06406  1    187.79295  1   269 264 263    0.10190
 H       1.11879  1    110.88861  1    307.17524  1   269 264 263    0.08670
 H       1.12779  1    108.81044  1     36.03430  1   264 263 259    0.08760
 H       1.12384  1    109.69010  1     41.82734  1   263 259 258    0.09380
 H       1.12134  1    109.15849  1    158.97529  1   263 259 258    0.10430
 H       1.13620  1    106.55200  1    204.26304  1   259 258   3    0.12320
 H       1.00349  1     99.85257  1    292.39628  1   258   3   2    0.16060
 H       1.00424  1     31.57958  1    185.25517  1   258   3   2    0.14810
 N       8.36458  0     47.62805  0    220.21231  0     3   2   1   -0.33390
 C       1.47835  0     61.24542  0     67.22159  0   279   3   2   -0.03710
 C       1.51781  0    114.00427  0    109.21645  0   280 279   3    0.28470
 O       1.24606  0    120.23596  0    130.28049  0   281 280 279   -0.43050
 N       1.33720  0    121.52500  0    307.87372  0   281 280 279   -0.28990
 C       1.46123  0    119.81866  0    181.42204  0   283 281 280   -0.04710
 C       1.52311  0    110.76539  0    298.61277  0   284 283 281    0.18690
 O       1.22828  0    119.95573  0    154.36018  0   285 284 283   -0.29250
 H       1.11087  1    117.73667  1    334.64715  1   285 284 283    0.08980
 C       1.54097  1    107.58203  1    176.71044  1   284 283 281   -0.15200
 C       1.52342  1    106.42949  1    358.59365  1   288 284 283   -0.16770
 C       1.53736  1    106.75162  1      2.55590  1   289 288 284   -0.02180
 H       1.12615  1    108.98478  1    116.62483  1   290 289 288    0.05550
 H       1.12409  1    110.53852  1    236.40144  1   290 289 288    0.11660
 H       1.11738  1    111.09729  1    122.90910  1   289 288 284    0.07520
 H       1.12048  1    110.67942  1    243.25565  1   289 288 284    0.11810
 H       1.11791  1    111.01148  1    119.97061  1   288 284 283    0.07860
 H       1.12117  1    109.24374  1    239.33073  1   288 284 283    0.12570
 H       1.13610  1    108.40403  1     58.05009  1   284 283 281    0.17090
 C       1.53542  1    113.94996  1    341.52211  1   280 279   3   -0.10820
 C       1.46899  1    113.02249  1    318.01326  1   298 280 279   -0.13060
 C       1.39496  1    125.87456  1    115.40656  1   299 298 280   -0.08320
 N       1.40080  1    110.39441  1    180.83309  1   300 299 298   -0.21050
 C       1.40038  1    107.99105  1    356.06243  1   301 300 299   -0.00410
 C       1.44781  1    108.16781  1      3.57610  1   302 301 300   -0.06190
 C       1.39428  1    119.29750  1    178.43580  1   303 302 301   -0.06020
 C       1.38872  1    118.97796  1      0.00000  1   304 303 302   -0.17100
 C       1.40466  1    121.36060  1    359.79764  1   305 304 303   -0.12380
 C       1.38756  1    121.55867  1      0.08162  1   306 305 304   -0.16090
 H       1.09715  1    121.17867  1    179.59859  1   307 306 305    0.12010
 H       1.09967  1    119.07209  1    179.71347  1   306 305 304    0.11470
 H       1.09948  1    119.57137  1    179.71872  1   305 304 303    0.12380
 H       1.10028  1    120.11605  1    180.05761  1   304 303 302    0.14450
 H       0.98557  1    123.92296  1    197.76585  1   301 300 299    0.24020
 H       1.09708  1    129.36483  1      1.08596  1   300 299 298    0.18940
 H       1.12464  1    110.52602  1     81.76641  1   298 280 279    0.11770
 H       1.12611  1    107.27041  1    197.56158  1   298 280 279    0.11660
 H       1.13587  1    104.47454  1    224.03221  1   280 279   3    0.12850
 H       1.00113  1     50.64932  1    231.35100  1   279   3   2    0.14590
 H       1.00017  1    137.43683  1    156.42370  1   279   3   2    0.13770
 N      11.52547  0     55.38112  0    264.52042  0     3   2   1   -0.34740
 C       1.46046  0     93.60450  0    112.55228  0   319   3   2   -0.09250
 C       1.52047  0    110.87988  0    175.78694  0   320 319   3    0.20550
 O       1.23737  0    120.84914  0    314.34911  0   321 320 319   -0.30410
 H       1.10829  1    116.34580  1    134.83259  1   321 320 319    0.08820
 C       1.54709  1    115.46541  1     49.76679  1   320 319   3   -0.14000
 C       1.52481  1    109.96132  1    295.68389  1   324 320 319   -0.16260
 C       1.50729  1    113.13887  1    167.30447  1   325 324 320   -0.22660
 H       1.11667  1    111.11154  1     71.86357  1   326 325 324    0.06460
 H       1.12272  1    109.96673  1    191.77843  1   326 325 324    0.12170
 H       1.11747  1    110.78229  1    311.00675  1   326 325 324    0.06790
 H       1.12362  1    109.14805  1    289.58981  1   325 324 320    0.08270
 H       1.12431  1    110.24589  1     46.98281  1   325 324 320    0.08950
 C       1.51343  1    110.05242  1    173.33751  1   324 320 319   -0.21730
 H       1.11745  1    110.81536  1     57.02142  1   332 324 320    0.07300
 H       1.11827  1    109.98181  1    176.92211  1   332 324 320    0.08870
 H       1.11759  1    110.69393  1    296.33269  1   332 324 320    0.06530
 H       1.12668  1    108.38928  1     54.40155  1   324 320 319    0.10960
 H       1.13415  1    105.93061  1    291.74946  1   320 319   3    0.10190
 H       1.00353  1     19.17674  1    320.57852  1   319   3   2    0.16920
 H       1.00327  1    108.08157  1    224.99764  1   319   3   2    0.16070
 N      13.81645  0    117.46542  0    317.45664  0     3   2   1   -0.35330
 C       1.46975  0     69.59418  0    265.79365  0   340   3   2   -0.04710
 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   -0.42040
 N       1.33274  0    115.72040  0    292.58365  0   342 341 340   -0.36120
 C       1.46052  0    118.46101  0    181.64764  0   344 342 341   -0.02900
 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       1.11452  1    115.54376  1    318.95494  1   346 345 344    0.12140
 C       1.53846  1    112.15716  1    158.19818  1   345 344 342   -0.16760
 C       1.52252  1    111.28012  1    200.48973  1   349 345 344   -0.11540
 C       1.51485  1    111.10557  1     80.71913  1   350 349 345   -0.20890
 H       1.11701  1    110.65625  1     61.97219  1   351 350 349    0.07920
 H       1.11653  1    110.23110  1    181.90495  1   351 350 349    0.07190
 H       1.11706  1    110.65534  1    301.82019  1   351 350 349    0.07540
 C       1.51503  1    110.30479  1    202.92650  1   350 349 345   -0.20910
 H       1.11685  1    110.76484  1     62.65433  1   355 350 349    0.06400
 H       1.11739  1    109.95044  1    182.43953  1   355 350 349    0.06820
 H       1.11720  1    110.56817  1    302.25192  1   355 350 349    0.08370
 H       1.12880  1    108.44740  1    321.66766  1   350 349 345    0.09980
 H       1.12252  1    110.16472  1    321.74884  1   349 345 344    0.09910
 H       1.12207  1    109.06434  1     79.09780  1   349 345 344    0.08600
 H       1.13457  1    107.14446  1     38.81670  1   345 344 342    0.11910
 H       1.00370  1    122.30795  1     12.39019  1   344 342 341    0.29150
 C       1.52231  1    114.44182  1    321.47835  1   341 340   3   -0.21690
 H       1.11976  1    111.32058  1     52.90242  1   364 341 340    0.10720
 H       1.11651  1    109.50902  1    173.70834  1   364 341 340    0.07420
 H       1.11688  1    110.02850  1    293.12767  1   364 341 340    0.08460
 H       1.13276  1    106.18047  1    201.96257  1   341 340   3    0.10150
 H       1.00637  1     42.36084  1    105.18987  1   340   3   2    0.18090
 H       1.00266  1    110.31258  1     11.11435  1   340   3   2    0.15350
 N      10.80169  0    132.34688  0    329.70543  0     3   2   1   -0.34780
 C       1.44351  0     37.18078  0     10.67837  0   371   3   2   -0.06080
 C       1.52058  0    113.71970  0     78.47512  0   372 371   3    0.26900
 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   -0.37010
 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   -0.31320
 H       1.11343  1    115.18439  1     61.68567  1   377 376 375    0.10140
 C       1.53686  1    112.64785  1    149.09415  1   376 375 373   -0.12590
 C       1.48644  1    112.60723  1    308.40126  1   380 376 375   -0.09230
 C       1.39976  1    120.56185  1    286.74985  1   381 380 376   -0.12000
 C       1.39403  1    120.40616  1    179.15130  1   382 381 380   -0.13150
 C       1.39567  1    119.92316  1      0.80443  1   383 382 381   -0.12280
 C       1.39490  1    120.06930  1    359.43705  1   384 383 382   -0.13600
 C       1.39457  1    119.94698  1    359.82042  1   385 384 383   -0.13670
 H       1.10100  1    119.81887  1    181.75381  1   386 385 384    0.12230
 H       1.10321  1    120.14687  1    180.83232  1   385 384 383    0.14190
 H       1.10072  1    119.74151  1    180.42746  1   384 383 382    0.13390
 H       1.10655  1    119.92526  1    181.85578  1   383 382 381    0.17070
 H       1.10032  1    119.84840  1      0.38879  1   382 381 380    0.13210
 H       1.12319  1    109.07351  1     71.35823  1   380 376 375    0.10110
 H       1.12255  1    107.23572  1    187.16926  1   380 376 375    0.09430
 H       1.13537  1    107.65933  1     29.20583  1   376 375 373    0.13490
 H       0.99683  1    121.47121  1    355.44507  1   375 373 372    0.24710
 C       1.54405  1    111.56889  1    314.78530  1   372 371   3   -0.09260
 C       1.47272  1    111.06464  1    193.67808  1   396 372 371   -0.10560
 N       1.39751  1    123.86857  1     69.97163  1   397 396 372   -0.17610
 C       1.39295  1    106.74661  1    182.56666  1   398 397 396   -0.10630
 N       1.35445  1    111.43940  1    358.17019  1   399 398 397   -0.19470
 C       1.38964  1    105.94215  1      1.06153  1   400 399 398   -0.19270
 H       1.09078  1    122.03888  1    180.37157  1   401 400 399    0.17390
 H       1.09514  1    122.92501  1    178.41858  1   399 398 397    0.19640
 H       0.99871  1    124.67777  1    350.91358  1   398 397 396    0.29710
 H       1.12712  1    108.56827  1    314.67423  1   396 372 371    0.12140
 H       1.12209  1    110.91445  1     72.62331  1   396 372 371    0.09410
 H       1.14219  1    107.04970  1    196.71828  1   372 371   3    0.19710
 H       0.99942  1     77.06387  1    175.43136  1   371   3   2    0.15510
 H       0.99821  1    135.95950  1     69.47996  1   371   3   2    0.15160
 H       4.41944  1    103.81536  1    339.50966  1     3   2   1    0.20940
 O       3.61947  0     99.16701  0    345.70505  0     3   2   1   -0.43250
 H       0.96426  1    103.83677  1    319.75285  1   411 410   3    0.21690

