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 H       1.12314  1    109.95105  1    340.57056  1   223 219 218    0.08590
 H       1.12302  1    109.86167  1     97.88867  1   223 219 218    0.09330
 H       1.13468  1    106.05472  1    206.71089  1   219 218   3    0.14110
 H       1.00125  1    110.95319  1     55.19382  1   218   3   2    0.15050
 H       1.00134  1     90.47295  1    304.98745  1   218   3   2    0.13230
 N       9.32589  0    148.49850  0    217.13966  0     3   2   1   -0.32200
 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    0.21430
 O       1.23796  0    120.10755  0    131.27173  0   242 241 240   -0.31130
 H       1.10983  1    117.35250  1    309.51748  1   242 241 240    0.10250
 C       1.54648  1    114.44113  1    308.27027  1   241 240   3   -0.13250
 C       1.51436  1    110.50541  1    180.96311  1   245 241 240   -0.22100
 H       1.11816  1    110.81724  1     64.15161  1   246 245 241    0.11170
 H       1.11859  1    109.99259  1    184.40820  1   246 245 241    0.07470
 H       1.11803  1    110.88947  1    303.83635  1   246 245 241    0.08140
 C       1.51495  1    110.38028  1    302.55567  1   245 241 240   -0.22420
 H       1.11726  1    111.36084  1     69.69937  1   250 245 241    0.04990
 H       1.11799  1    110.02950  1    189.22093  1   250 245 241    0.08420
 H       1.11740  1    110.53301  1    308.69939  1   250 245 241    0.09460
 H       1.12906  1    108.37123  1     61.67020  1   245 241 240    0.09670
 H       1.13330  1    106.68059  1    189.23536  1   241 240   3    0.13960
 H       1.00186  1    121.58491  1     11.39966  1   240   3   2    0.14080
 H       1.00388  1     51.24758  1    282.39590  1   240   3   2    0.13620
 N      10.70920  0    161.02234  0    300.98350  0     3   2   1   -0.33270
 C       1.47447  0     83.51123  0     40.16297  0   258   3   2   -0.09970
 C       1.51972  0    110.88294  0     91.41287  0   259 258   3    0.19510
 O       1.23337  0    122.18349  0    206.71515  0   260 259 258   -0.32800
 H       1.11279  1    116.42347  1     29.09566  1   260 259 258    0.09890
 C       1.53228  1    114.35609  1    323.27873  1   259 258   3   -0.20120
 C       1.52310  1    111.76228  1    280.65889  1   263 259 258   -0.10510
 C       1.51481  1    111.05057  1    154.57817  1   264 263 259   -0.21580
 H       1.11675  1    110.59672  1     63.97578  1   265 264 263    0.06980
 H       1.12108  1    109.50704  1    184.33715  1   265 264 263    0.11700
 H       1.11771  1    110.48266  1    303.59383  1   265 264 263    0.06390
 C       1.51584  1    110.95113  1    277.12665  1   264 263 259   -0.22340
 H       1.11643  1    110.67884  1     66.18936  1   269 264 263    0.05570
 H       1.11775  1    110.01635  1    186.39428  1   269 264 263    0.10110
 H       1.11887  1    110.81329  1    305.83246  1   269 264 263    0.08880
 H       1.12770  1    108.93557  1     36.66198  1   264 263 259    0.08440
 H       1.12379  1    109.73386  1     42.73584  1   263 259 258    0.09380
 H       1.12140  1    108.99271  1    159.90369  1   263 259 258    0.10880
 H       1.13632  1    106.57199  1    204.32907  1   259 258   3    0.12270
 H       1.00350  1    101.33739  1    292.54565  1   258   3   2    0.15870
 H       1.00431  1     30.75273  1    187.73117  1   258   3   2    0.14860
 N       8.36458  0     47.62805  0    220.21231  0     3   2   1   -0.33250
 C       1.47835  0     61.24542  0     67.22159  0   279   3   2   -0.04020
 C       1.51781  0    114.00427  0    109.21645  0   280 279   3    0.27730
 O       1.24606  0    120.23596  0    130.28049  0   281 280 279   -0.40680
 N       1.33720  0    121.52500  0    307.87372  0   281 280 279   -0.31250
 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    0.18580
 O       1.22828  0    119.95573  0    154.36018  0   285 284 283   -0.28030
 H       1.11046  1    117.55346  1    334.58416  1   285 284 283    0.09700
 C       1.54104  1    107.59003  1    176.75268  1   284 283 281   -0.15860
 C       1.52358  1    106.42312  1      1.36244  1   288 284 283   -0.17390
 C       1.53811  1    106.72218  1      1.29025  1   289 288 284   -0.02600
 H       1.12617  1    108.77764  1    115.90556  1   290 289 288    0.06760
 H       1.12446  1    110.85144  1    235.36343  1   290 289 288    0.10550
 H       1.11786  1    110.97147  1    121.46100  1   289 288 284    0.08740
 H       1.11945  1    110.81414  1    241.41481  1   289 288 284    0.10840
 H       1.11830  1    110.83362  1    122.63930  1   288 284 283    0.09300
 H       1.12099  1    109.60009  1    241.50992  1   288 284 283    0.11930
 H       1.13367  1    108.82629  1     57.22318  1   284 283 281    0.15320
 C       1.53519  1    113.46079  1    341.02223  1   280 279   3   -0.09050
 C       1.47023  1    112.48104  1    312.44732  1   298 280 279   -0.13960
 C       1.39514  1    125.53239  1    119.05289  1   299 298 280   -0.08460
 N       1.39970  1    110.45820  1    181.49443  1   300 299 298   -0.20870
 C       1.40051  1    107.95566  1    356.60958  1   301 300 299   -0.00680
 C       1.44775  1    108.25048  1      3.17528  1   302 301 300   -0.05430
 C       1.39431  1    119.21793  1    178.46615  1   303 302 301   -0.05990
 C       1.38909  1    118.96754  1    359.71655  1   304 303 302   -0.16710
 C       1.40436  1    121.40674  1      0.14057  1   305 304 303   -0.12170
 C       1.38746  1    121.51444  1      0.05460  1   306 305 304   -0.15910
 H       1.09702  1    121.19781  1    179.67952  1   307 306 305    0.11950
 H       1.09965  1    119.09222  1    179.62726  1   306 305 304    0.11480
 H       1.09957  1    119.48154  1    179.54645  1   305 304 303    0.12630
 H       1.10096  1    120.34017  1    178.87061  1   304 303 302    0.14970
 H       0.98561  1    124.02436  1    197.90637  1   301 300 299    0.24060
 H       1.09644  1    129.53444  1      1.13659  1   300 299 298    0.18770
 H       1.12343  1    110.36786  1     75.04497  1   298 280 279    0.08610
 H       1.12545  1    107.47530  1    191.85580  1   298 280 279    0.12500
 H       1.13626  1    104.81113  1    224.17327  1   280 279   3    0.14190
 H       1.00044  1     51.78977  1    227.57756  1   279   3   2    0.14450
 H       0.99970  1    140.96179  1    154.55811  1   279   3   2    0.13890
 N      11.52547  0     55.38112  0    264.52042  0     3   2   1   -0.34120
 C       1.46046  0     93.60450  0    112.55228  0   319   3   2   -0.09410
 C       1.52047  0    110.87988  0    175.78694  0   320 319   3    0.20640
 O       1.23737  0    120.84914  0    314.34911  0   321 320 319   -0.30640
 H       1.10834  1    116.33115  1    134.84108  1   321 320 319    0.09160
 C       1.54666  1    116.73851  1     51.27703  1   320 319   3   -0.14030
 C       1.52185  1    110.63700  1    296.21848  1   324 320 319   -0.16060
 C       1.50750  1    112.27822  1    169.41102  1   325 324 320   -0.22030
 H       1.11709  1    111.18658  1     65.11270  1   326 325 324    0.07650
 H       1.11912  1    110.03989  1    184.66660  1   326 325 324    0.09470
 H       1.11733  1    110.78107  1    304.49478  1   326 325 324    0.06870
 H       1.12378  1    109.30576  1    291.28220  1   325 324 320    0.08850
 H       1.12411  1    109.99406  1     48.81786  1   325 324 320    0.07980
 C       1.51530  1    109.37424  1    174.15171  1   324 320 319   -0.22170
 H       1.11775  1    110.65187  1     56.41923  1   332 324 320    0.07920
 H       1.11701  1    110.24330  1    176.09128  1   332 324 320    0.08850
 H       1.11737  1    110.77131  1    295.54162  1   332 324 320    0.06980
 H       1.12634  1    108.41464  1     55.38955  1   324 320 319    0.10770
 H       1.13340  1    105.93634  1    292.24489  1   320 319   3    0.10760
 H       1.00359  1     18.41300  1    318.01217  1   319   3   2    0.16510
 H       1.00326  1    109.00622  1    225.17895  1   319   3   2    0.15780
 N      13.81645  0    117.46542  0    317.45664  0     3   2   1   -0.34960
 C       1.46975  0     69.59418  0    265.79365  0   340   3   2   -0.04790
 C       1.51854  0    109.42956  0     87.30937  0   341 340   3    0.27160
 O       1.22712  0    121.44309  0    110.88918  0   342 341 340   -0.42500
 N       1.33274  0    115.72040  0    292.58365  0   342 341 340   -0.35980
 C       1.46052  0    118.46101  0    181.64764  0   344 342 341   -0.02540
 C       1.52566  0    113.35886  0    280.16963  0   345 344 342    0.18520
 O       1.22406  0    121.51706  0    139.04305  0   346 345 344   -0.31960
 H       1.11431  1    115.58577  1    318.85739  1   346 345 344    0.12040
 C       1.54022  1    110.90268  1    159.15187  1   345 344 342   -0.17400
 C       1.52086  1    112.62340  1    188.64884  1   349 345 344   -0.10460
 C       1.51454  1    111.22629  1     77.14697  1   350 349 345   -0.20210
 H       1.11697  1    110.63081  1     59.72852  1   351 350 349    0.07470
 H       1.11656  1    110.23161  1    179.59630  1   351 350 349    0.06280
 H       1.11665  1    110.59654  1    299.54019  1   351 350 349    0.07520
 C       1.51574  1    110.02751  1    199.32491  1   350 349 345   -0.21940
 H       1.11724  1    110.75119  1     57.20397  1   355 350 349    0.06890
 H       1.11742  1    109.88639  1    176.74398  1   355 350 349    0.06370
 H       1.11736  1    110.79397  1    296.81197  1   355 350 349    0.09690
 H       1.12799  1    108.86672  1    317.87395  1   350 349 345    0.09320
 H       1.12234  1    109.49845  1    309.85627  1   349 345 344    0.10070
 H       1.12329  1    108.67622  1     66.58549  1   349 345 344    0.09220
 H       1.13274  1    107.73620  1     39.66766  1   345 344 342    0.11440
 H       1.00460  1    122.43389  1     11.25047  1   344 342 341    0.29560
 C       1.52222  1    114.21878  1    321.59494  1   341 340   3   -0.21700
 H       1.11998  1    111.32555  1     52.70672  1   364 341 340    0.11210
 H       1.11645  1    109.47867  1    173.51405  1   364 341 340    0.07180
 H       1.11680  1    110.00968  1    292.95034  1   364 341 340    0.08380
 H       1.13253  1    106.29467  1    202.05910  1   341 340   3    0.09930
 H       1.00667  1     41.16113  1     98.79308  1   340   3   2    0.18270
 H       1.00257  1    114.37805  1      9.66125  1   340   3   2    0.15070
 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   -0.06700
 C       1.52058  0    113.71970  0     78.47512  0   372 371   3    0.27470
 O       1.22780  0    120.16143  0    128.71132  0   373 372 371   -0.38600
 N       1.33334  0    119.06894  0    308.22080  0   373 372 371   -0.37200
 C       1.46344  0    122.73833  0    184.27316  0   375 373 372   -0.03560
 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   -0.31540
 H       1.11348  1    115.20219  1     61.76327  1   377 376 375    0.10170
 C       1.53694  1    112.73256  1    149.37315  1   376 375 373   -0.12530
 C       1.48633  1    112.78434  1    307.58229  1   380 376 375   -0.09150
 C       1.39971  1    120.59565  1    289.71403  1   381 380 376   -0.11740
 C       1.39487  1    120.42976  1    179.11256  1   382 381 380   -0.12320
 C       1.39553  1    119.80682  1      0.68344  1   383 382 381   -0.12800
 C       1.39487  1    120.17123  1    359.41979  1   384 383 382   -0.13930
 C       1.39403  1    119.92503  1      0.02497  1   385 384 383   -0.13940
 H       1.10053  1    119.83945  1    181.51462  1   386 385 384    0.12000
 H       1.10268  1    120.24601  1    181.39773  1   385 384 383    0.13570
 H       1.10000  1    119.69919  1    180.69559  1   384 383 382    0.12400
 H       1.10863  1    119.78637  1    182.74335  1   383 382 381    0.18560
 H       1.10049  1    119.93283  1      0.71296  1   382 381 380    0.13580
 H       1.12318  1    109.02821  1     70.66559  1   380 376 375    0.09890
 H       1.12278  1    107.17308  1    186.42976  1   380 376 375    0.09340
 H       1.13540  1    107.68180  1     29.32726  1   376 375 373    0.13850
 H       0.99659  1    121.42340  1    355.04599  1   375 373 372    0.24550
 C       1.54333  1    111.13722  1    314.57019  1   372 371   3   -0.08590
 C       1.47079  1    111.01119  1    190.78942  1   396 372 371   -0.12310
 N       1.39812  1    124.31378  1     69.85329  1   397 396 372   -0.18430
 C       1.39479  1    106.61085  1    183.15464  1   398 397 396   -0.09950
 N       1.35366  1    111.42000  1    357.98889  1   399 398 397   -0.17310
 C       1.38834  1    106.02262  1      1.15305  1   400 399 398   -0.19170
 H       1.09055  1    121.66442  1    179.78159  1   401 400 399    0.17530
 H       1.09586  1    123.29187  1    178.50826  1   399 398 397    0.20280
 H       0.99755  1    124.56660  1    351.28990  1   398 397 396    0.29320
 H       1.12669  1    108.45995  1    311.88411  1   396 372 371    0.11650
 H       1.12224  1    110.86413  1     69.99295  1   396 372 371    0.09050
 H       1.14232  1    107.24589  1    196.78185  1   372 371   3    0.19890
 H       0.99947  1     77.04752  1    175.02663  1   371   3   2    0.15310
 H       0.99834  1    136.02135  1     69.27742  1   371   3   2    0.14980
 H       4.53331  1    100.05415  1    341.57074  1     3   2   1    0.21200
 O       3.61947  0     99.16701  0    345.70505  0     3   2   1   -0.44200
 H       0.96570  1    103.85764  1    321.66279  1   411 410   3    0.22330

