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 H       1.12357  1    109.74040  1    337.66633  1   223 219 218    0.08470
 H       1.12302  1    109.51827  1     94.70903  1   223 219 218    0.09270
 H       1.13383  1    106.42255  1    207.04471  1   219 218   3    0.13780
 H       1.00148  1    111.60088  1     57.34845  1   218   3   2    0.14890
 H       1.00164  1     89.99569  1    307.42483  1   218   3   2    0.13140
 N       9.32589  0    148.49850  0    217.13966  0     3   2   1   -0.32370
 C       1.47774  0     57.95963  0    104.42399  0   240   3   2   -0.11440
 C       1.51432  0    111.43394  0     71.58897  0   241 240   3    0.21710
 O       1.23796  0    120.10755  0    131.27173  0   242 241 240   -0.31890
 H       1.10988  1    117.37829  1    309.81074  1   242 241 240    0.10320
 C       1.54673  1    114.41181  1    308.54126  1   241 240   3   -0.13210
 C       1.51436  1    110.38141  1    180.85544  1   245 241 240   -0.22120
 H       1.11824  1    110.82550  1     61.61447  1   246 245 241    0.10840
 H       1.11754  1    110.84210  1    181.94099  1   246 245 241    0.08030
 H       1.11796  1    110.79755  1    301.47792  1   246 245 241    0.07630
 C       1.51475  1    110.53185  1    302.45927  1   245 241 240   -0.22380
 H       1.11723  1    111.38975  1     68.48820  1   250 245 241    0.05080
 H       1.11831  1    109.92033  1    187.81568  1   250 245 241    0.08600
 H       1.11717  1    110.57361  1    307.37601  1   250 245 241    0.09330
 H       1.12868  1    108.29307  1     61.55384  1   245 241 240    0.10310
 H       1.13297  1    106.71357  1    189.37616  1   241 240   3    0.13740
 H       1.00189  1    121.07918  1     11.15526  1   240   3   2    0.14140
 H       1.00410  1     51.22494  1    281.79562  1   240   3   2    0.13860
 N      10.70920  0    161.02234  0    300.98350  0     3   2   1   -0.33150
 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    0.19670
 O       1.23337  0    122.18349  0    206.71515  0   260 259 258   -0.33270
 H       1.11285  1    116.47343  1     28.75351  1   260 259 258    0.10010
 C       1.53280  1    114.22619  1    323.36231  1   259 258   3   -0.19820
 C       1.52295  1    111.66351  1    279.95263  1   263 259 258   -0.10820
 C       1.51477  1    111.23092  1    153.41530  1   264 263 259   -0.21940
 H       1.11651  1    110.69070  1     66.30718  1   265 264 263    0.06650
 H       1.12210  1    109.42764  1    186.74457  1   265 264 263    0.12450
 H       1.11776  1    110.51655  1    305.84407  1   265 264 263    0.06650
 C       1.51592  1    110.88368  1    276.19013  1   264 263 259   -0.22380
 H       1.11653  1    110.65757  1     67.58668  1   269 264 263    0.05640
 H       1.11773  1    110.06080  1    187.89190  1   269 264 263    0.10190
 H       1.11870  1    110.90212  1    307.26150  1   269 264 263    0.08650
 H       1.12785  1    108.81677  1     35.65814  1   264 263 259    0.08760
 H       1.12415  1    109.64823  1     41.92464  1   263 259 258    0.09380
 H       1.12119  1    109.02220  1    159.05491  1   263 259 258    0.10400
 H       1.13622  1    106.54799  1    204.40987  1   259 258   3    0.12320
 H       1.00347  1     99.96084  1    292.41397  1   258   3   2    0.16060
 H       1.00421  1     31.54343  1    185.42830  1   258   3   2    0.14830
 N       8.36458  0     47.62805  0    220.21231  0     3   2   1   -0.33140
 C       1.47835  0     61.24542  0     67.22159  0   279   3   2   -0.03680
 C       1.51781  0    114.00427  0    109.21645  0   280 279   3    0.29140
 O       1.24606  0    120.23596  0    130.28049  0   281 280 279   -0.43820
 N       1.33720  0    121.52500  0    307.87372  0   281 280 279   -0.28600
 C       1.46123  0    119.81866  0    181.42204  0   283 281 280   -0.04380
 C       1.52311  0    110.76539  0    298.61277  0   284 283 281    0.18760
 O       1.22828  0    119.95573  0    154.36018  0   285 284 283   -0.29620
 H       1.11081  1    117.71982  1    334.59038  1   285 284 283    0.09150
 C       1.54046  1    107.65536  1    176.87209  1   284 283 281   -0.14990
 C       1.52316  1    106.37879  1    357.08345  1   288 284 283   -0.17160
 C       1.53758  1    106.75750  1      3.53262  1   289 288 284   -0.02170
 H       1.12677  1    109.06327  1    116.36850  1   290 289 288    0.05290
 H       1.12465  1    110.28708  1    236.84139  1   290 289 288    0.13070
 H       1.11723  1    111.12820  1    124.03204  1   289 288 284    0.07430
 H       1.12090  1    110.50684  1    244.54684  1   289 288 284    0.12130
 H       1.11835  1    110.87355  1    118.27223  1   288 284 283    0.07710
 H       1.12052  1    109.43597  1    237.37032  1   288 284 283    0.11860
 H       1.13467  1    108.54734  1     57.50818  1   284 283 281    0.15940
 C       1.53247  1    114.58437  1    339.75454  1   280 279   3   -0.11700
 C       1.46954  1    112.91379  1    318.91488  1   298 280 279   -0.12270
 C       1.39384  1    126.09647  1    113.23476  1   299 298 280   -0.08340
 N       1.40269  1    110.49101  1    180.60160  1   300 299 298   -0.21180
 C       1.40013  1    107.93653  1    356.63668  1   301 300 299   -0.00420
 C       1.44810  1    108.16814  1      3.67725  1   302 301 300   -0.06370
 C       1.39368  1    119.32053  1    177.87655  1   303 302 301   -0.06020
 C       1.38970  1    118.97923  1    359.92681  1   304 303 302   -0.17380
 C       1.40406  1    121.35265  1    359.69871  1   305 304 303   -0.12380
 C       1.38996  1    121.56727  1      0.00000  1   306 305 304   -0.16140
 H       1.09695  1    121.17345  1    181.28969  1   307 306 305    0.11900
 H       1.09957  1    119.06216  1    180.10320  1   306 305 304    0.11270
 H       1.09945  1    119.56228  1    179.38786  1   305 304 303    0.12250
 H       1.10041  1    120.01316  1    179.66214  1   304 303 302    0.14480
 H       0.98601  1    123.61010  1    199.29088  1   301 300 299    0.23970
 H       1.09565  1    129.47449  1      0.85270  1   300 299 298    0.18630
 H       1.12945  1    110.40826  1     82.46953  1   298 280 279    0.13640
 H       1.12348  1    107.89566  1    197.94581  1   298 280 279    0.11760
 H       1.13737  1    103.92974  1    223.39963  1   280 279   3    0.12360
 H       1.00187  1     50.31864  1    232.04189  1   279   3   2    0.14420
 H       1.00082  1    136.40863  1    156.86546  1   279   3   2    0.13510
 N      11.52547  0     55.38112  0    264.52042  0     3   2   1   -0.34680
 C       1.46046  0     93.60450  0    112.55228  0   319   3   2   -0.09340
 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   -0.30360
 H       1.10831  1    116.33416  1    135.24898  1   321 320 319    0.08840
 C       1.54732  1    115.56157  1     49.90174  1   320 319   3   -0.13920
 C       1.52440  1    109.99799  1    295.63730  1   324 320 319   -0.16470
 C       1.50765  1    113.06370  1    167.09120  1   325 324 320   -0.21960
 H       1.11681  1    111.17007  1     70.91188  1   326 325 324    0.06700
 H       1.11986  1    109.85396  1    190.58134  1   326 325 324    0.10560
 H       1.11769  1    110.86289  1    309.95550  1   326 325 324    0.07010
 H       1.12360  1    109.21175  1    289.43418  1   325 324 320    0.08480
 H       1.12452  1    110.23145  1     46.80991  1   325 324 320    0.09230
 C       1.51366  1    109.92729  1    173.32962  1   324 320 319   -0.21790
 H       1.11749  1    110.77278  1     57.67396  1   332 324 320    0.07360
 H       1.11817  1    110.07705  1    177.49691  1   332 324 320    0.08740
 H       1.11752  1    110.73889  1    296.89569  1   332 324 320    0.06640
 H       1.12673  1    108.38311  1     54.38085  1   324 320 319    0.10970
 H       1.13406  1    105.90476  1    291.78025  1   320 319   3    0.10330
 H       1.00366  1     19.09481  1    319.61923  1   319   3   2    0.17060
 H       1.00322  1    108.47221  1    225.09165  1   319   3   2    0.16080
 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   -0.04870
 C       1.51854  0    109.42956  0     87.30937  0   341 340   3    0.27450
 O       1.22712  0    121.44309  0    110.88918  0   342 341 340   -0.41880
 N       1.33274  0    115.72040  0    292.58365  0   342 341 340   -0.36100
 C       1.46052  0    118.46101  0    181.64764  0   344 342 341   -0.02820
 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   -0.31660
 H       1.11449  1    115.51784  1    318.63313  1   346 345 344    0.12150
 C       1.53845  1    112.08616  1    158.19153  1   345 344 342   -0.16770
 C       1.52264  1    111.29544  1    199.85939  1   349 345 344   -0.11370
 C       1.51498  1    111.08313  1     80.86839  1   350 349 345   -0.21030
 H       1.11707  1    110.65676  1     61.97150  1   351 350 349    0.07820
 H       1.11650  1    110.23677  1    181.92738  1   351 350 349    0.07180
 H       1.11706  1    110.64563  1    301.85453  1   351 350 349    0.07690
 C       1.51502  1    110.35417  1    203.12291  1   350 349 345   -0.20950
 H       1.11684  1    110.78509  1     61.78247  1   355 350 349    0.06470
 H       1.11751  1    109.93535  1    181.50983  1   355 350 349    0.06730
 H       1.11708  1    110.59993  1    301.37502  1   355 350 349    0.08270
 H       1.12877  1    108.48011  1    321.82513  1   350 349 345    0.09970
 H       1.12240  1    110.08606  1    321.10505  1   349 345 344    0.09940
 H       1.12202  1    109.03511  1     78.37851  1   349 345 344    0.08640
 H       1.13463  1    107.17724  1     38.81068  1   345 344 342    0.11840
 H       1.00348  1    122.37462  1     11.96453  1   344 342 341    0.29220
 C       1.52235  1    114.51766  1    321.44536  1   341 340   3   -0.21780
 H       1.11973  1    111.30721  1     52.94655  1   364 341 340    0.10800
 H       1.11648  1    109.51824  1    173.73021  1   364 341 340    0.07440
 H       1.11688  1    110.01701  1    293.15533  1   364 341 340    0.08440
 H       1.13283  1    106.13781  1    201.94672  1   341 340   3    0.10190
 H       1.00626  1     42.68649  1    106.98588  1   340   3   2    0.17790
 H       1.00268  1    108.95414  1     11.53967  1   340   3   2    0.15320
 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   -0.06030
 C       1.52058  0    113.71970  0     78.47512  0   372 371   3    0.26780
 O       1.22780  0    120.16143  0    128.71132  0   373 372 371   -0.38850
 N       1.33334  0    119.06894  0    308.22080  0   373 372 371   -0.36970
 C       1.46344  0    122.73833  0    184.27316  0   375 373 372   -0.03520
 C       1.51251  0    109.68839  0    272.90895  0   376 375 373    0.18690
 O       1.22625  0    122.47880  0    241.57476  0   377 376 375   -0.31260
 H       1.11339  1    115.18153  1     61.68719  1   377 376 375    0.10120
 C       1.53734  1    112.81592  1    149.16039  1   376 375 373   -0.12600
 C       1.48646  1    112.85605  1    308.64060  1   380 376 375   -0.09090
 C       1.39988  1    120.64341  1    286.10479  1   381 380 376   -0.11960
 C       1.39426  1    120.38509  1    179.72819  1   382 381 380   -0.13370
 C       1.39581  1    119.93232  1      0.66275  1   383 382 381   -0.12260
 C       1.39684  1    120.05218  1    359.37732  1   384 383 382   -0.13520
 C       1.39438  1    119.95785  1    359.75801  1   385 384 383   -0.13810
 H       1.10091  1    119.83130  1    181.57496  1   386 385 384    0.12340
 H       1.10318  1    120.21162  1    181.15258  1   385 384 383    0.14270
 H       1.10075  1    119.76510  1    180.95225  1   384 383 382    0.13510
 H       1.10617  1    120.09578  1    181.53081  1   383 382 381    0.16830
 H       1.10042  1    119.87362  1      0.78902  1   382 381 380    0.13210
 H       1.12320  1    109.10523  1     71.39957  1   380 376 375    0.10150
 H       1.12245  1    107.21559  1    187.32820  1   380 376 375    0.09480
 H       1.13597  1    107.50599  1     28.93595  1   376 375 373    0.13580
 H       0.99682  1    121.45946  1    355.51365  1   375 373 372    0.24710
 C       1.54353  1    111.42772  1    315.18354  1   372 371   3   -0.09360
 C       1.47148  1    110.96038  1    192.41694  1   396 372 371   -0.10540
 N       1.39618  1    124.35752  1     67.61056  1   397 396 372   -0.17360
 C       1.39363  1    106.63818  1    183.12838  1   398 397 396   -0.11030
 N       1.35641  1    111.47709  1    357.91885  1   399 398 397   -0.19530
 C       1.38832  1    105.96385  1      0.91082  1   400 399 398   -0.19430
 H       1.09100  1    122.18091  1    180.71238  1   401 400 399    0.17440
 H       1.09526  1    123.02755  1    177.58695  1   399 398 397    0.19700
 H       0.99958  1    124.70828  1    351.58720  1   398 397 396    0.29860
 H       1.12638  1    108.78264  1    313.80394  1   396 372 371    0.12230
 H       1.12275  1    110.81035  1     71.77105  1   396 372 371    0.09440
 H       1.14096  1    107.20772  1    197.05895  1   372 371   3    0.19710
 H       0.99955  1     77.05968  1    175.49441  1   371   3   2    0.15550
 H       0.99832  1    135.96435  1     69.56207  1   371   3   2    0.15150
 H       4.36601  1    105.94971  1    340.08984  1     3   2   1    0.21100
 O       3.61947  0     99.16701  0    345.70505  0     3   2   1   -0.43090
 H       0.96487  1    103.37684  1    311.92620  1   411 410   3    0.21450

