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 H       1.12297  1    109.88003  1     97.09810  1   223 219 218    0.09530
 H       1.13384  1    106.47309  1    207.12573  1   219 218   3    0.13940
 H       1.00139  1    111.73405  1     57.68219  1   218   3   2    0.14940
 H       1.00152  1     90.01503  1    307.68515  1   218   3   2    0.13150
 N       9.32589  0    148.49850  0    217.13966  0     3   2   1   -0.32330
 C       1.47774  0     57.95963  0    104.42399  0   240   3   2   -0.11400
 C       1.51432  0    111.43394  0     71.58897  0   241 240   3    0.21640
 O       1.23796  0    120.10755  0    131.27173  0   242 241 240   -0.31760
 H       1.10988  1    117.36108  1    309.52090  1   242 241 240    0.10280
 C       1.54673  1    114.49599  1    308.46751  1   241 240   3   -0.13360
 C       1.51430  1    110.37682  1    180.98338  1   245 241 240   -0.22100
 H       1.11826  1    110.80508  1     61.81355  1   246 245 241    0.10970
 H       1.11811  1    110.10244  1    182.02836  1   246 245 241    0.07910
 H       1.11812  1    110.78014  1    301.54197  1   246 245 241    0.07710
 C       1.51464  1    110.48279  1    302.57045  1   245 241 240   -0.22230
 H       1.11767  1    111.30234  1     68.75999  1   250 245 241    0.05030
 H       1.11779  1    110.10251  1    188.15280  1   250 245 241    0.08650
 H       1.11727  1    110.55196  1    307.90686  1   250 245 241    0.09230
 H       1.12882  1    108.33701  1     61.68517  1   245 241 240    0.10210
 H       1.13305  1    106.68028  1    189.30489  1   241 240   3    0.13770
 H       1.00192  1    121.25909  1     11.25212  1   240   3   2    0.14120
 H       1.00406  1     51.22508  1    282.04503  1   240   3   2    0.13810
 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   -0.10110
 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   -0.33200
 H       1.11285  1    116.45825  1     29.01307  1   260 259 258    0.10000
 C       1.53273  1    114.30082  1    323.31178  1   259 258   3   -0.19800
 C       1.52308  1    111.62166  1    280.01204  1   263 259 258   -0.10860
 C       1.51478  1    111.21857  1    153.98765  1   264 263 259   -0.21870
 H       1.11649  1    110.62334  1     66.31510  1   265 264 263    0.06650
 H       1.12194  1    109.43892  1    186.72397  1   265 264 263    0.12370
 H       1.11773  1    110.53707  1    305.86247  1   265 264 263    0.06590
 C       1.51587  1    110.91666  1    276.72688  1   264 263 259   -0.22400
 H       1.11651  1    110.67206  1     67.47380  1   269 264 263    0.05640
 H       1.11774  1    110.03905  1    187.74045  1   269 264 263    0.10220
 H       1.11876  1    110.88354  1    307.12954  1   269 264 263    0.08680
 H       1.12781  1    108.82650  1     36.21249  1   264 263 259    0.08760
 H       1.12381  1    109.71399  1     42.00096  1   263 259 258    0.09380
 H       1.12133  1    109.11356  1    159.14868  1   263 259 258    0.10460
 H       1.13623  1    106.53860  1    204.38178  1   259 258   3    0.12320
 H       1.00347  1     99.83340  1    292.39760  1   258   3   2    0.16040
 H       1.00424  1     31.59972  1    185.22160  1   258   3   2    0.14800
 N       8.36458  0     47.62805  0    220.21231  0     3   2   1   -0.33440
 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    0.28550
 O       1.24606  0    120.23596  0    130.28049  0   281 280 279   -0.43280
 N       1.33720  0    121.52500  0    307.87372  0   281 280 279   -0.28700
 C       1.46123  0    119.81866  0    181.42204  0   283 281 280   -0.04560
 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   -0.29320
 H       1.11090  1    117.75487  1    334.53296  1   285 284 283    0.08940
 C       1.54144  1    107.56104  1    176.93697  1   284 283 281   -0.15110
 C       1.52343  1    106.43298  1    359.11856  1   288 284 283   -0.16800
 C       1.53709  1    106.75623  1      2.25584  1   289 288 284   -0.02100
 H       1.12628  1    108.91689  1    116.68751  1   290 289 288    0.05500
 H       1.12419  1    110.44706  1    236.55393  1   290 289 288    0.11680
 H       1.11733  1    111.15775  1    122.71822  1   289 288 284    0.07460
 H       1.12027  1    110.66662  1    243.16506  1   289 288 284    0.11810
 H       1.11778  1    111.03741  1    120.53563  1   288 284 283    0.07830
 H       1.12105  1    109.16598  1    239.84897  1   288 284 283    0.12470
 H       1.13575  1    108.42749  1     58.17741  1   284 283 281    0.17090
 C       1.53589  1    113.85290  1    341.66887  1   280 279   3   -0.10680
 C       1.46929  1    113.09628  1    317.31817  1   298 280 279   -0.13190
 C       1.39512  1    125.72465  1    117.14518  1   299 298 280   -0.08350
 N       1.40034  1    110.41765  1    180.55136  1   300 299 298   -0.21050
 C       1.39970  1    108.02824  1    356.67517  1   301 300 299   -0.00360
 C       1.44813  1    108.18930  1      3.19856  1   302 301 300   -0.06170
 C       1.39478  1    119.29309  1    178.20429  1   303 302 301   -0.05940
 C       1.38878  1    118.98015  1      0.25765  1   304 303 302   -0.17140
 C       1.40457  1    121.36395  1    359.88281  1   305 304 303   -0.12320
 C       1.38706  1    121.55663  1    359.95977  1   306 305 304   -0.16110
 H       1.09709  1    121.17373  1    179.83724  1   307 306 305    0.12000
 H       1.09961  1    119.07548  1    179.69080  1   306 305 304    0.11480
 H       1.09943  1    119.56862  1    179.56949  1   305 304 303    0.12370
 H       1.10024  1    120.13916  1    179.96564  1   304 303 302    0.14400
 H       0.98537  1    124.16993  1    196.88740  1   301 300 299    0.24130
 H       1.09673  1    129.42158  1      0.78359  1   300 299 298    0.18890
 H       1.12482  1    110.48072  1     81.12050  1   298 280 279    0.11750
 H       1.12599  1    107.28143  1    196.85833  1   298 280 279    0.11530
 H       1.13516  1    104.66686  1    224.49841  1   280 279   3    0.12810
 H       1.00108  1     50.73391  1    230.90975  1   279   3   2    0.14610
 H       1.00016  1    137.83366  1    156.26780  1   279   3   2    0.13780
 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   -0.09360
 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   -0.30390
 H       1.10824  1    116.32771  1    135.01353  1   321 320 319    0.08860
 C       1.54722  1    115.27119  1     49.80486  1   320 319   3   -0.13940
 C       1.52501  1    109.88927  1    295.98696  1   324 320 319   -0.16310
 C       1.50727  1    113.10163  1    167.28268  1   325 324 320   -0.22420
 H       1.11662  1    111.10875  1     71.66721  1   326 325 324    0.06510
 H       1.12198  1    109.93284  1    191.56671  1   326 325 324    0.11520
 H       1.11749  1    110.73793  1    310.73552  1   326 325 324    0.06960
 H       1.12370  1    109.08377  1    289.49734  1   325 324 320    0.08250
 H       1.12424  1    110.34610  1     46.94602  1   325 324 320    0.09080
 C       1.51325  1    110.11718  1    173.70917  1   324 320 319   -0.21760
 H       1.11741  1    110.83656  1     56.19470  1   332 324 320    0.07350
 H       1.11835  1    109.96577  1    176.00908  1   332 324 320    0.08810
 H       1.11755  1    110.63518  1    295.36138  1   332 324 320    0.06610
 H       1.12668  1    108.36654  1     54.78570  1   324 320 319    0.10980
 H       1.13391  1    106.00529  1    291.82596  1   320 319   3    0.10230
 H       1.00343  1     19.31734  1    321.08535  1   319   3   2    0.16920
 H       1.00324  1    107.94143  1    224.97440  1   319   3   2    0.16200
 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   -0.42090
 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   -0.02900
 C       1.52566  0    113.35886  0    280.16963  0   345 344 342    0.18200
 O       1.22406  0    121.51706  0    139.04305  0   346 345 344   -0.31650
 H       1.11449  1    115.54689  1    318.89027  1   346 345 344    0.12120
 C       1.53854  1    112.13763  1    158.19236  1   345 344 342   -0.16730
 C       1.52264  1    111.26049  1    201.18268  1   349 345 344   -0.11550
 C       1.51490  1    111.07237  1     80.83274  1   350 349 345   -0.20860
 H       1.11701  1    110.64249  1     61.92829  1   351 350 349    0.07840
 H       1.11654  1    110.23883  1    181.83807  1   351 350 349    0.07160
 H       1.11707  1    110.67601  1    301.77413  1   351 350 349    0.07540
 C       1.51503  1    110.29291  1    203.04693  1   350 349 345   -0.20930
 H       1.11688  1    110.75754  1     62.93566  1   355 350 349    0.06420
 H       1.11737  1    110.01618  1    182.72885  1   355 350 349    0.06800
 H       1.11729  1    110.57846  1    302.59905  1   355 350 349    0.08450
 H       1.12872  1    108.44979  1    321.79226  1   350 349 345    0.09990
 H       1.12245  1    110.22923  1    322.53926  1   349 345 344    0.09930
 H       1.12213  1    109.01315  1     79.79090  1   349 345 344    0.08610
 H       1.13463  1    107.14972  1     38.78882  1   345 344 342    0.11870
 H       1.00374  1    122.35460  1     12.07188  1   344 342 341    0.29200
 C       1.52231  1    114.44047  1    321.47738  1   341 340   3   -0.21700
 H       1.11976  1    111.32592  1     52.90108  1   364 341 340    0.10780
 H       1.11652  1    109.49881  1    173.71326  1   364 341 340    0.07390
 H       1.11687  1    110.01860  1    293.13587  1   364 341 340    0.08450
 H       1.13273  1    106.18020  1    201.96621  1   341 340   3    0.10140
 H       1.00646  1     42.30478  1    105.08848  1   340   3   2    0.18040
 H       1.00270  1    110.31258  1     11.10364  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   -0.06010
 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   -0.36990
 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    115.18991  1     61.73942  1   377 376 375    0.10130
 C       1.53696  1    112.71485  1    149.12404  1   376 375 373   -0.12590
 C       1.48640  1    112.67600  1    308.33988  1   380 376 375   -0.09240
 C       1.39967  1    120.50695  1    287.36563  1   381 380 376   -0.11900
 C       1.39435  1    120.41330  1    179.00977  1   382 381 380   -0.13020
 C       1.39562  1    119.87580  1      0.77313  1   383 382 381   -0.12470
 C       1.39501  1    120.10529  1    359.38706  1   384 383 382   -0.13660
 C       1.39382  1    119.95993  1    359.96140  1   385 384 383   -0.13690
 H       1.10088  1    119.83193  1    181.68540  1   386 385 384    0.12200
 H       1.10312  1    120.02277  1    180.90563  1   385 384 383    0.14100
 H       1.10063  1    119.73224  1    180.35734  1   384 383 382    0.13200
 H       1.10698  1    119.91397  1    181.87009  1   383 382 381    0.17380
 H       1.10034  1    119.85894  1      0.09196  1   382 381 380    0.13280
 H       1.12318  1    109.07108  1     71.36541  1   380 376 375    0.10080
 H       1.12259  1    107.21654  1    187.15438  1   380 376 375    0.09430
 H       1.13536  1    107.66467  1     29.20393  1   376 375 373    0.13530
 H       0.99682  1    121.46937  1    355.43848  1   375 373 372    0.24700
 C       1.54331  1    111.45964  1    315.02322  1   372 371   3   -0.09260
 C       1.47224  1    111.42883  1    193.28323  1   396 372 371   -0.10600
 N       1.39738  1    123.98121  1     68.37475  1   397 396 372   -0.17780
 C       1.39331  1    106.75233  1    181.91762  1   398 397 396   -0.10420
 N       1.35462  1    111.43599  1    357.94113  1   399 398 397   -0.19550
 C       1.38956  1    105.91869  1      1.41895  1   400 399 398   -0.19570
 H       1.09099  1    121.93603  1    179.53401  1   401 400 399    0.17530
 H       1.09522  1    122.95396  1    178.44259  1   399 398 397    0.19740
 H       0.99890  1    124.70923  1    350.96575  1   398 397 396    0.29790
 H       1.12749  1    108.50653  1    314.20468  1   396 372 371    0.12070
 H       1.12227  1    110.89178  1     72.15845  1   396 372 371    0.09390
 H       1.14183  1    107.12204  1    196.84595  1   372 371   3    0.19700
 H       0.99946  1     77.07595  1    175.38085  1   371   3   2    0.15540
 H       0.99821  1    135.97806  1     69.41105  1   371   3   2    0.15150
 H       4.43734  1    103.15180  1    339.56264  1     3   2   1    0.20870
 O       3.61947  0     99.16701  0    345.70505  0     3   2   1   -0.43180
 H       0.96430  1    103.84066  1    318.66072  1   411 410   3    0.21660

