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 H       1.12322  1    109.93627  1    340.49329  1   223 219 218    0.08580
 H       1.12318  1    109.81716  1     97.77222  1   223 219 218    0.09330
 H       1.13479  1    106.03272  1    206.67003  1   219 218   3    0.14110
 H       1.00130  1    110.96138  1     55.27503  1   218   3   2    0.15040
 H       1.00142  1     90.40153  1    305.12490  1   218   3   2    0.13210
 N       9.32589  0    148.49850  0    217.13966  0     3   2   1   -0.32210
 C       1.47774  0     57.95963  0    104.42399  0   240   3   2   -0.11390
 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   -0.31150
 H       1.10981  1    117.35716  1    309.58833  1   242 241 240    0.10250
 C       1.54645  1    114.43452  1    308.29000  1   241 240   3   -0.13270
 C       1.51433  1    110.49998  1    180.95301  1   245 241 240   -0.22110
 H       1.11818  1    110.81376  1     64.08290  1   246 245 241    0.11150
 H       1.11860  1    110.02035  1    184.35301  1   246 245 241    0.07490
 H       1.11809  1    110.88288  1    303.80548  1   246 245 241    0.08130
 C       1.51495  1    110.38808  1    302.55138  1   245 241 240   -0.22320
 H       1.11720  1    111.37531  1     69.68948  1   250 245 241    0.05010
 H       1.11803  1    110.02691  1    189.16799  1   250 245 241    0.08310
 H       1.11740  1    110.53575  1    308.63650  1   250 245 241    0.09450
 H       1.12903  1    108.35700  1     61.66379  1   245 241 240    0.09700
 H       1.13332  1    106.67750  1    189.22037  1   241 240   3    0.13960
 H       1.00185  1    121.58319  1     11.39591  1   240   3   2    0.14080
 H       1.00387  1     51.25348  1    282.38999  1   240   3   2    0.13630
 N      10.70920  0    161.02234  0    300.98350  0     3   2   1   -0.33290
 C       1.47447  0     83.51123  0     40.16297  0   258   3   2   -0.09960
 C       1.51972  0    110.88294  0     91.41287  0   259 258   3    0.19480
 O       1.23337  0    122.18349  0    206.71515  0   260 259 258   -0.32810
 H       1.11281  1    116.43243  1     29.04496  1   260 259 258    0.09930
 C       1.53219  1    114.34203  1    323.27720  1   259 258   3   -0.20120
 C       1.52310  1    111.75654  1    280.61823  1   263 259 258   -0.10510
 C       1.51486  1    111.06036  1    154.52795  1   264 263 259   -0.21580
 H       1.11679  1    110.60772  1     63.98190  1   265 264 263    0.06970
 H       1.12107  1    109.50585  1    184.36399  1   265 264 263    0.11740
 H       1.11769  1    110.48507  1    303.60124  1   265 264 263    0.06390
 C       1.51583  1    110.95053  1    277.10133  1   264 263 259   -0.22340
 H       1.11647  1    110.67974  1     66.22358  1   269 264 263    0.05570
 H       1.11777  1    110.00718  1    186.42691  1   269 264 263    0.10110
 H       1.11886  1    110.82400  1    305.84892  1   269 264 263    0.08870
 H       1.12769  1    108.93565  1     36.62380  1   264 263 259    0.08440
 H       1.12382  1    109.72540  1     42.71569  1   263 259 258    0.09370
 H       1.12143  1    108.99737  1    159.85718  1   263 259 258    0.10870
 H       1.13628  1    106.57093  1    204.35533  1   259 258   3    0.12280
 H       1.00334  1    101.29691  1    292.50106  1   258   3   2    0.15900
 H       1.00405  1     30.82792  1    187.52867  1   258   3   2    0.14850
 N       8.36458  0     47.62805  0    220.21231  0     3   2   1   -0.33300
 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    0.27700
 O       1.24606  0    120.23596  0    130.28049  0   281 280 279   -0.40740
 N       1.33720  0    121.52500  0    307.87372  0   281 280 279   -0.31230
 C       1.46123  0    119.81866  0    181.42204  0   283 281 280   -0.05180
 C       1.52311  0    110.76539  0    298.61277  0   284 283 281    0.18570
 O       1.22828  0    119.95573  0    154.36018  0   285 284 283   -0.28060
 H       1.11048  1    117.55517  1    334.50823  1   285 284 283    0.09680
 C       1.54106  1    107.59939  1    176.77163  1   284 283 281   -0.15790
 C       1.52376  1    106.42817  1      1.41711  1   288 284 283   -0.17360
 C       1.53791  1    106.73010  1      1.35937  1   289 288 284   -0.02620
 H       1.12634  1    108.75476  1    115.96640  1   290 289 288    0.06770
 H       1.12436  1    110.89314  1    235.50591  1   290 289 288    0.10540
 H       1.11765  1    111.01482  1    121.45603  1   289 288 284    0.08680
 H       1.11963  1    111.01087  1    241.42457  1   289 288 284    0.10850
 H       1.11816  1    110.87337  1    122.51024  1   288 284 283    0.09250
 H       1.12117  1    109.59675  1    241.43466  1   288 284 283    0.12030
 H       1.13360  1    108.84414  1     57.30548  1   284 283 281    0.15350
 C       1.53542  1    113.48634  1    341.05620  1   280 279   3   -0.09080
 C       1.47018  1    112.53333  1    312.62263  1   298 280 279   -0.13960
 C       1.39508  1    125.55472  1    118.86847  1   299 298 280   -0.08450
 N       1.39973  1    110.45948  1    181.40498  1   300 299 298   -0.20840
 C       1.40053  1    107.95793  1    356.58360  1   301 300 299   -0.00760
 C       1.44772  1    108.25261  1      3.16267  1   302 301 300   -0.05430
 C       1.39444  1    119.22220  1    178.58031  1   303 302 301   -0.05990
 C       1.38912  1    118.97331  1    359.71511  1   304 303 302   -0.16710
 C       1.40444  1    121.41279  1      0.12922  1   305 304 303   -0.12170
 C       1.38736  1    121.52072  1      0.04317  1   306 305 304   -0.15870
 H       1.09711  1    121.19814  1    179.63955  1   307 306 305    0.11960
 H       1.09966  1    119.09668  1    179.61156  1   306 305 304    0.11490
 H       1.09954  1    119.49363  1    179.48486  1   305 304 303    0.12640
 H       1.10078  1    120.31185  1    178.92229  1   304 303 302    0.14940
 H       0.98561  1    124.01261  1    197.89596  1   301 300 299    0.24070
 H       1.09644  1    129.51353  1      1.13333  1   300 299 298    0.18780
 H       1.12340  1    110.38473  1     75.27860  1   298 280 279    0.08650
 H       1.12544  1    107.49394  1    191.97528  1   298 280 279    0.12460
 H       1.13620  1    104.81411  1    224.15956  1   280 279   3    0.14160
 H       1.00046  1     51.78789  1    227.73486  1   279   3   2    0.14480
 H       0.99975  1    140.91513  1    154.60425  1   279   3   2    0.13910
 N      11.52547  0     55.38112  0    264.52042  0     3   2   1   -0.34080
 C       1.46046  0     93.60450  0    112.55228  0   319   3   2   -0.09420
 C       1.52047  0    110.87988  0    175.78694  0   320 319   3    0.20630
 O       1.23737  0    120.84914  0    314.34911  0   321 320 319   -0.30650
 H       1.10837  1    116.34104  1    135.01574  1   321 320 319    0.09150
 C       1.54602  1    116.82553  1     51.42823  1   320 319   3   -0.14040
 C       1.52206  1    110.70628  1    296.29114  1   324 320 319   -0.16020
 C       1.50751  1    112.24070  1    169.40009  1   325 324 320   -0.22020
 H       1.11712  1    111.19653  1     65.15910  1   326 325 324    0.07610
 H       1.11919  1    110.06087  1    184.70691  1   326 325 324    0.09490
 H       1.11738  1    110.79234  1    304.54129  1   326 325 324    0.06860
 H       1.12386  1    109.33207  1    291.30216  1   325 324 320    0.08870
 H       1.12390  1    110.02809  1     48.85463  1   325 324 320    0.08000
 C       1.51569  1    109.32639  1    174.11450  1   324 320 319   -0.22040
 H       1.11779  1    110.65505  1     56.41406  1   332 324 320    0.07780
 H       1.11694  1    110.28929  1    176.12303  1   332 324 320    0.08830
 H       1.11739  1    110.79626  1    295.54393  1   332 324 320    0.06970
 H       1.12649  1    108.38612  1     55.47613  1   324 320 319    0.10760
 H       1.13337  1    105.93637  1    292.31849  1   320 319   3    0.10790
 H       1.00366  1     18.31248  1    317.89836  1   319   3   2    0.16510
 H       1.00331  1    109.04500  1    225.19581  1   319   3   2    0.15780
 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   -0.04790
 C       1.51854  0    109.42956  0     87.30937  0   341 340   3    0.27180
 O       1.22712  0    121.44309  0    110.88918  0   342 341 340   -0.42470
 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   -0.02570
 C       1.52566  0    113.35886  0    280.16963  0   345 344 342    0.18530
 O       1.22406  0    121.51706  0    139.04305  0   346 345 344   -0.31940
 H       1.11432  1    115.58030  1    318.84998  1   346 345 344    0.12030
 C       1.53997  1    111.04091  1    158.95799  1   345 344 342   -0.17380
 C       1.52119  1    112.46048  1    188.99390  1   349 345 344   -0.10360
 C       1.51452  1    111.23576  1     77.32894  1   350 349 345   -0.20410
 H       1.11695  1    110.64558  1     59.81558  1   351 350 349    0.07570
 H       1.11660  1    110.21466  1    179.64209  1   351 350 349    0.06310
 H       1.11671  1    110.60830  1    299.61260  1   351 350 349    0.07580
 C       1.51551  1    110.01754  1    199.52558  1   350 349 345   -0.21940
 H       1.11709  1    110.74561  1     57.21951  1   355 350 349    0.06900
 H       1.11756  1    109.88252  1    176.89651  1   355 350 349    0.06400
 H       1.11734  1    110.77041  1    296.89244  1   355 350 349    0.09600
 H       1.12806  1    108.83255  1    318.07778  1   350 349 345    0.09260
 H       1.12298  1    109.37198  1    310.27395  1   349 345 344    0.10080
 H       1.12266  1    108.91984  1     67.07650  1   349 345 344    0.09180
 H       1.13288  1    107.71591  1     39.64539  1   345 344 342    0.11450
 H       1.00450  1    122.44845  1     11.23737  1   344 342 341    0.29520
 C       1.52224  1    114.22314  1    321.59021  1   341 340   3   -0.21740
 H       1.12001  1    111.32702  1     52.70648  1   364 341 340    0.11230
 H       1.11646  1    109.47581  1    173.52357  1   364 341 340    0.07180
 H       1.11681  1    110.00476  1    292.94516  1   364 341 340    0.08390
 H       1.13251  1    106.28996  1    202.05664  1   341 340   3    0.09940
 H       1.00666  1     41.15389  1     98.94844  1   340   3   2    0.18280
 H       1.00260  1    114.23864  1      9.67217  1   340   3   2    0.15070
 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   -0.06680
 C       1.52058  0    113.71970  0     78.47512  0   372 371   3    0.27450
 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   -0.03670
 C       1.51251  0    109.68839  0    272.90895  0   376 375 373    0.18840
 O       1.22625  0    122.47880  0    241.57476  0   377 376 375   -0.31590
 H       1.11344  1    115.19555  1     61.72057  1   377 376 375    0.10130
 C       1.53723  1    112.74226  1    149.37131  1   376 375 373   -0.12530
 C       1.48632  1    112.78840  1    307.65934  1   380 376 375   -0.09130
 C       1.40045  1    120.60140  1    289.34147  1   381 380 376   -0.11770
 C       1.39483  1    120.42862  1    179.12523  1   382 381 380   -0.12330
 C       1.39553  1    119.80576  1      0.71722  1   383 382 381   -0.12770
 C       1.39398  1    120.16985  1    359.44581  1   384 383 382   -0.13910
 C       1.39407  1    119.92401  1      0.04841  1   385 384 383   -0.13930
 H       1.10057  1    119.84076  1    181.56462  1   386 385 384    0.12000
 H       1.10274  1    120.23613  1    181.30394  1   385 384 383    0.13600
 H       1.10003  1    119.69884  1    180.66610  1   384 383 382    0.12410
 H       1.10856  1    119.79192  1    182.74516  1   383 382 381    0.18480
 H       1.10045  1    119.93265  1      0.65156  1   382 381 380    0.13570
 H       1.12320  1    109.04166  1     70.71047  1   380 376 375    0.09890
 H       1.12264  1    107.19415  1    186.45154  1   380 376 375    0.09350
 H       1.13544  1    107.68085  1     29.32714  1   376 375 373    0.13920
 H       0.99655  1    121.44329  1    355.03202  1   375 373 372    0.24550
 C       1.54271  1    111.19294  1    314.68613  1   372 371   3   -0.08650
 C       1.47065  1    110.94766  1    190.87222  1   396 372 371   -0.12240
 N       1.39833  1    124.24979  1     70.02768  1   397 396 372   -0.18430
 C       1.39470  1    106.60802  1    183.22763  1   398 397 396   -0.09880
 N       1.35362  1    111.41750  1    358.02333  1   399 398 397   -0.17500
 C       1.38839  1    106.02442  1      1.20716  1   400 399 398   -0.19080
 H       1.09059  1    121.66617  1    179.75208  1   401 400 399    0.17540
 H       1.09579  1    123.27977  1    178.47472  1   399 398 397    0.20240
 H       0.99759  1    124.56903  1    351.22516  1   398 397 396    0.29320
 H       1.12665  1    108.46130  1    312.03268  1   396 372 371    0.11690
 H       1.12231  1    110.86063  1     70.15302  1   396 372 371    0.09060
 H       1.14213  1    107.31339  1    196.83273  1   372 371   3    0.19920
 H       0.99945  1     77.03932  1    175.06820  1   371   3   2    0.15320
 H       0.99835  1    136.03169  1     69.29292  1   371   3   2    0.15000
 H       4.53015  1    100.12507  1    341.44717  1     3   2   1    0.21220
 O       3.61947  0     99.16701  0    345.70505  0     3   2   1   -0.44110
 H       0.96560  1    103.75326  1    321.86596  1   411 410   3    0.22230

