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 H       1.12276  1    110.09709  1    340.86198  1   223 219 218    0.08600
 H       1.12287  1    109.94265  1     98.35863  1   223 219 218    0.09370
 H       1.13455  1    106.03557  1    206.77760  1   219 218   3    0.14190
 H       1.00123  1    110.64748  1     54.35310  1   218   3   2    0.15010
 H       1.00138  1     90.53634  1    304.24144  1   218   3   2    0.13170
 N       9.32589  0    148.49850  0    217.13966  0     3   2   1   -0.32180
 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   -0.31090
 H       1.10982  1    117.36509  1    309.53698  1   242 241 240    0.10230
 C       1.54623  1    114.46306  1    308.23626  1   241 240   3   -0.13170
 C       1.51437  1    110.50536  1    180.97574  1   245 241 240   -0.22140
 H       1.11812  1    110.82992  1     64.39307  1   246 245 241    0.11190
 H       1.11879  1    109.98127  1    184.72382  1   246 245 241    0.07430
 H       1.11806  1    110.88780  1    304.09284  1   246 245 241    0.08170
 C       1.51499  1    110.36823  1    302.56926  1   245 241 240   -0.22470
 H       1.11724  1    111.35710  1     69.85958  1   250 245 241    0.05000
 H       1.11797  1    110.04681  1    189.38515  1   250 245 241    0.08430
 H       1.11745  1    110.52750  1    308.87902  1   250 245 241    0.09480
 H       1.12914  1    108.36400  1     61.68899  1   245 241 240    0.09610
 H       1.13343  1    106.65128  1    189.17678  1   241 240   3    0.13980
 H       1.00185  1    121.61511  1     11.41628  1   240   3   2    0.14080
 H       1.00386  1     51.25050  1    282.43700  1   240   3   2    0.13610
 N      10.70920  0    161.02234  0    300.98350  0     3   2   1   -0.33370
 C       1.47447  0     83.51123  0     40.16297  0   258   3   2   -0.09930
 C       1.51972  0    110.88294  0     91.41287  0   259 258   3    0.19540
 O       1.23337  0    122.18349  0    206.71515  0   260 259 258   -0.32800
 H       1.11279  1    116.42727  1     29.07222  1   260 259 258    0.09890
 C       1.53210  1    114.35406  1    323.27052  1   259 258   3   -0.20110
 C       1.52307  1    111.75900  1    280.72661  1   263 259 258   -0.10490
 C       1.51482  1    111.04871  1    154.60389  1   264 263 259   -0.21570
 H       1.11676  1    110.58237  1     63.94525  1   265 264 263    0.07010
 H       1.12102  1    109.50494  1    184.29876  1   265 264 263    0.11670
 H       1.11767  1    110.48978  1    303.56476  1   265 264 263    0.06380
 C       1.51586  1    110.95540  1    277.13702  1   264 263 259   -0.22340
 H       1.11645  1    110.67978  1     66.04897  1   269 264 263    0.05560
 H       1.11777  1    110.00280  1    186.24695  1   269 264 263    0.10100
 H       1.11886  1    110.81535  1    305.68838  1   269 264 263    0.08890
 H       1.12767  1    108.94218  1     36.66656  1   264 263 259    0.08410
 H       1.12378  1    109.72922  1     42.83726  1   263 259 258    0.09390
 H       1.12148  1    108.98358  1    159.99195  1   263 259 258    0.10900
 H       1.13629  1    106.60700  1    204.32766  1   259 258   3    0.12230
 H       1.00315  1    102.59607  1    292.56978  1   258   3   2    0.15800
 H       1.00384  1     30.12255  1    189.70039  1   258   3   2    0.15000
 N       8.36458  0     47.62805  0    220.21231  0     3   2   1   -0.33310
 C       1.47835  0     61.24542  0     67.22159  0   279   3   2   -0.03980
 C       1.51781  0    114.00427  0    109.21645  0   280 279   3    0.27690
 O       1.24606  0    120.23596  0    130.28049  0   281 280 279   -0.40620
 N       1.33720  0    121.52500  0    307.87372  0   281 280 279   -0.31320
 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    0.18560
 O       1.22828  0    119.95573  0    154.36018  0   285 284 283   -0.27990
 H       1.11044  1    117.53880  1    334.53694  1   285 284 283    0.09730
 C       1.54129  1    107.58514  1    176.82754  1   284 283 281   -0.15930
 C       1.52354  1    106.42625  1      1.78322  1   288 284 283   -0.17270
 C       1.53791  1    106.71916  1      1.26440  1   289 288 284   -0.02680
 H       1.12640  1    108.70419  1    115.84062  1   290 289 288    0.06830
 H       1.12425  1    110.93913  1    235.35064  1   290 289 288    0.10520
 H       1.11781  1    110.98099  1    121.29557  1   289 288 284    0.08740
 H       1.11962  1    110.97037  1    241.28175  1   289 288 284    0.10780
 H       1.11804  1    110.88795  1    122.85686  1   288 284 283    0.09360
 H       1.12117  1    109.59800  1    241.76133  1   288 284 283    0.11890
 H       1.13331  1    108.87148  1     57.31846  1   284 283 281    0.15200
 C       1.53520  1    113.48474  1    340.98204  1   280 279   3   -0.08960
 C       1.47029  1    112.49244  1    312.07185  1   298 280 279   -0.14240
 C       1.39505  1    125.53307  1    119.03230  1   299 298 280   -0.08360
 N       1.39976  1    110.46280  1    181.46958  1   300 299 298   -0.21050
 C       1.40055  1    107.95818  1    356.59847  1   301 300 299   -0.00160
 C       1.44780  1    108.25316  1      3.17853  1   302 301 300   -0.05020
 C       1.39454  1    119.20511  1    178.53553  1   303 302 301   -0.06240
 C       1.38877  1    118.94538  1    359.72589  1   304 303 302   -0.16700
 C       1.40430  1    121.45836  1      0.15580  1   305 304 303   -0.12160
 C       1.38743  1    121.50901  1      0.03308  1   306 305 304   -0.16190
 H       1.09706  1    121.20384  1    179.69128  1   307 306 305    0.11970
 H       1.09965  1    119.09803  1    179.60993  1   306 305 304    0.11490
 H       1.09963  1    119.47419  1    179.50038  1   305 304 303    0.12630
 H       1.10094  1    120.37448  1    178.81164  1   304 303 302    0.14980
 H       0.98562  1    123.98016  1    197.92730  1   301 300 299    0.24060
 H       1.09633  1    129.52769  1      1.19008  1   300 299 298    0.18750
 H       1.12332  1    110.36143  1     74.65790  1   298 280 279    0.08510
 H       1.12547  1    107.50760  1    191.39227  1   298 280 279    0.12520
 H       1.13637  1    104.81311  1    224.10428  1   280 279   3    0.14220
 H       1.00037  1     51.95578  1    227.24731  1   279   3   2    0.14470
 H       0.99969  1    141.35957  1    154.34940  1   279   3   2    0.13910
 N      11.52547  0     55.38112  0    264.52042  0     3   2   1   -0.34090
 C       1.46046  0     93.60450  0    112.55228  0   319   3   2   -0.09430
 C       1.52047  0    110.87988  0    175.78694  0   320 319   3    0.20700
 O       1.23737  0    120.84914  0    314.34911  0   321 320 319   -0.30640
 H       1.10837  1    116.34182  1    134.96597  1   321 320 319    0.09140
 C       1.54617  1    116.82067  1     51.22341  1   320 319   3   -0.13960
 C       1.52226  1    110.57262  1    296.15258  1   324 320 319   -0.16150
 C       1.50761  1    112.28850  1    169.32195  1   325 324 320   -0.21760
 H       1.11717  1    111.19965  1     64.97673  1   326 325 324    0.07790
 H       1.11892  1    110.05709  1    184.52884  1   326 325 324    0.08960
 H       1.11731  1    110.81837  1    304.33115  1   326 325 324    0.06890
 H       1.12396  1    109.31736  1    291.16990  1   325 324 320    0.09000
 H       1.12388  1    110.01960  1     48.72693  1   325 324 320    0.07950
 C       1.51575  1    109.33215  1    174.01021  1   324 320 319   -0.22170
 H       1.11776  1    110.65269  1     56.34094  1   332 324 320    0.07970
 H       1.11697  1    110.29168  1    176.06460  1   332 324 320    0.08820
 H       1.11741  1    110.78985  1    295.44627  1   332 324 320    0.07010
 H       1.12644  1    108.39166  1     55.33007  1   324 320 319    0.10710
 H       1.13336  1    105.94290  1    292.33033  1   320 319   3    0.10800
 H       1.00372  1     18.48335  1    318.50802  1   319   3   2    0.16500
 H       1.00336  1    108.84504  1    225.15876  1   319   3   2    0.15770
 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    0.27150
 O       1.22712  0    121.44309  0    110.88918  0   342 341 340   -0.42540
 N       1.33274  0    115.72040  0    292.58365  0   342 341 340   -0.36010
 C       1.46052  0    118.46101  0    181.64764  0   344 342 341   -0.02500
 C       1.52566  0    113.35886  0    280.16963  0   345 344 342    0.18540
 O       1.22406  0    121.51706  0    139.04305  0   346 345 344   -0.31970
 H       1.11427  1    115.58078  1    318.87529  1   346 345 344    0.12010
 C       1.54085  1    110.55951  1    159.29676  1   345 344 342   -0.17450
 C       1.52099  1    112.84687  1    186.07069  1   349 345 344   -0.10330
 C       1.51426  1    111.28166  1     76.75935  1   350 349 345   -0.20490
 H       1.11689  1    110.64011  1     59.58789  1   351 350 349    0.07460
 H       1.11662  1    110.24715  1    179.38723  1   351 350 349    0.06300
 H       1.11663  1    110.55559  1    299.35155  1   351 350 349    0.07680
 C       1.51586  1    109.91193  1    198.86684  1   350 349 345   -0.21940
 H       1.11739  1    110.76060  1     56.71573  1   355 350 349    0.06920
 H       1.11742  1    109.92397  1    176.30614  1   355 350 349    0.06320
 H       1.11742  1    110.80035  1    296.42018  1   355 350 349    0.09770
 H       1.12799  1    108.94890  1    317.39198  1   350 349 345    0.09210
 H       1.12253  1    109.24458  1    307.30132  1   349 345 344    0.10060
 H       1.12315  1    108.78533  1     63.95389  1   349 345 344    0.09310
 H       1.13236  1    107.88328  1     39.80476  1   345 344 342    0.11430
 H       1.00472  1    122.44312  1     11.15203  1   344 342 341    0.29600
 C       1.52223  1    114.20512  1    321.59983  1   341 340   3   -0.21740
 H       1.12002  1    111.32652  1     52.71107  1   364 341 340    0.11290
 H       1.11644  1    109.47477  1    173.52448  1   364 341 340    0.07160
 H       1.11681  1    110.00544  1    292.95492  1   364 341 340    0.08370
 H       1.13251  1    106.29369  1    202.06271  1   341 340   3    0.09920
 H       1.00672  1     41.09742  1     98.61119  1   340   3   2    0.18270
 H       1.00260  1    114.48921  1      9.62999  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   -0.06740
 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   -0.38590
 N       1.33334  0    119.06894  0    308.22080  0   373 372 371   -0.37030
 C       1.46344  0    122.73833  0    184.27316  0   375 373 372   -0.03650
 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   -0.31570
 H       1.11347  1    115.20471  1     61.72036  1   377 376 375    0.10160
 C       1.53724  1    112.74812  1    149.50899  1   376 375 373   -0.12550
 C       1.48602  1    112.91746  1    307.42911  1   380 376 375   -0.09110
 C       1.39985  1    120.59720  1    290.71164  1   381 380 376   -0.11750
 C       1.39474  1    120.42508  1    179.20538  1   382 381 380   -0.12270
 C       1.39547  1    119.80537  1      0.51553  1   383 382 381   -0.12840
 C       1.39475  1    120.17119  1    359.39947  1   384 383 382   -0.13950
 C       1.39413  1    119.92414  1      0.21905  1   385 384 383   -0.13940
 H       1.10037  1    119.84109  1    181.46775  1   386 385 384    0.12000
 H       1.10266  1    120.24777  1    181.46481  1   385 384 383    0.13500
 H       1.09993  1    119.69309  1    180.67117  1   384 383 382    0.12330
 H       1.10888  1    119.76241  1    182.54013  1   383 382 381    0.18640
 H       1.10047  1    119.96023  1      0.58972  1   382 381 380    0.13620
 H       1.12327  1    109.00263  1     70.75168  1   380 376 375    0.09890
 H       1.12270  1    107.17459  1    186.31828  1   380 376 375    0.09320
 H       1.13536  1    107.69388  1     29.36709  1   376 375 373    0.13920
 H       0.99648  1    121.43970  1    355.05477  1   375 373 372    0.24510
 C       1.54285  1    111.22927  1    314.41244  1   372 371   3   -0.08570
 C       1.47075  1    111.08617  1    190.50474  1   396 372 371   -0.12390
 N       1.39823  1    124.37318  1     69.58925  1   397 396 372   -0.18480
 C       1.39480  1    106.59962  1    182.99119  1   398 397 396   -0.09860
 N       1.35370  1    111.41386  1    358.02153  1   399 398 397   -0.17350
 C       1.38824  1    106.01071  1      1.15007  1   400 399 398   -0.19140
 H       1.09039  1    121.65802  1    179.79479  1   401 400 399    0.17500
 H       1.09601  1    123.31428  1    178.51977  1   399 398 397    0.20350
 H       0.99754  1    124.55924  1    351.34459  1   398 397 396    0.29320
 H       1.12666  1    108.46049  1    311.70781  1   396 372 371    0.11670
 H       1.12242  1    110.83825  1     69.80145  1   396 372 371    0.09010
 H       1.14226  1    107.29699  1    196.83652  1   372 371   3    0.19880
 H       0.99947  1     77.05125  1    174.99742  1   371   3   2    0.15310
 H       0.99835  1    136.03922  1     69.22846  1   371   3   2    0.14980
 H       4.53967  1     99.98293  1    341.88104  1     3   2   1    0.21100
 O       3.61947  0     99.16701  0    345.70505  0     3   2   1   -0.44170
 H       0.96578  1    103.67854  1    321.16392  1   411 410   3    0.22400

