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 H       1.12344  1    109.90844  1    339.79394  1   223 219 218    0.08530
 H       1.12315  1    109.86376  1     97.07425  1   223 219 218    0.09490
 H       1.13391  1    106.47361  1    207.22927  1   219 218   3    0.13880
 H       1.00138  1    111.75680  1     57.68334  1   218   3   2    0.14940
 H       1.00152  1     90.02288  1    307.69063  1   218   3   2    0.13160
 N       9.32589  0    148.49850  0    217.13966  0     3   2   1   -0.32240
 C       1.47774  0     57.95963  0    104.42399  0   240   3   2   -0.11490
 C       1.51432  0    111.43394  0     71.58897  0   241 240   3    0.21720
 O       1.23796  0    120.10755  0    131.27173  0   242 241 240   -0.31800
 H       1.10987  1    117.36487  1    309.74157  1   242 241 240    0.10300
 C       1.54682  1    114.50942  1    308.45148  1   241 240   3   -0.13310
 C       1.51426  1    110.37699  1    180.97965  1   245 241 240   -0.22060
 H       1.11830  1    110.80171  1     61.80692  1   246 245 241    0.10980
 H       1.11816  1    110.11067  1    182.04406  1   246 245 241    0.07890
 H       1.11815  1    110.76810  1    301.55327  1   246 245 241    0.07680
 C       1.51469  1    110.48636  1    302.57694  1   245 241 240   -0.22310
 H       1.11711  1    111.39899  1     68.45469  1   250 245 241    0.05030
 H       1.11827  1    109.94631  1    187.88753  1   250 245 241    0.08770
 H       1.11722  1    110.56010  1    308.19703  1   250 245 241    0.09170
 H       1.12882  1    108.32795  1     61.67369  1   245 241 240    0.10180
 H       1.13305  1    106.68462  1    189.30852  1   241 240   3    0.13780
 H       1.00191  1    121.25423  1     11.27379  1   240   3   2    0.14090
 H       1.00404  1     51.21825  1    282.05984  1   240   3   2    0.13790
 N      10.70920  0    161.02234  0    300.98350  0     3   2   1   -0.33200
 C       1.47447  0     83.51123  0     40.16297  0   258   3   2   -0.10000
 C       1.51972  0    110.88294  0     91.41287  0   259 258   3    0.19620
 O       1.23337  0    122.18349  0    206.71515  0   260 259 258   -0.33200
 H       1.11286  1    116.47135  1     28.76645  1   260 259 258    0.10000
 C       1.53275  1    114.26164  1    323.28838  1   259 258   3   -0.19850
 C       1.52311  1    111.62308  1    279.99799  1   263 259 258   -0.10780
 C       1.51476  1    111.23042  1    154.00647  1   264 263 259   -0.21880
 H       1.11647  1    110.62325  1     66.31248  1   265 264 263    0.06640
 H       1.12194  1    109.42509  1    186.70725  1   265 264 263    0.12400
 H       1.11776  1    110.52943  1    305.88951  1   265 264 263    0.06590
 C       1.51597  1    110.91072  1    276.72822  1   264 263 259   -0.22360
 H       1.11649  1    110.66795  1     67.46740  1   269 264 263    0.05600
 H       1.11772  1    110.04379  1    187.74202  1   269 264 263    0.10220
 H       1.11875  1    110.88182  1    307.13859  1   269 264 263    0.08680
 H       1.12789  1    108.82038  1     36.21684  1   264 263 259    0.08660
 H       1.12401  1    109.70772  1     42.03571  1   263 259 258    0.09380
 H       1.12129  1    109.13084  1    159.16698  1   263 259 258    0.10430
 H       1.13613  1    106.56169  1    204.46213  1   259 258   3    0.12320
 H       1.00350  1     99.83433  1    292.39268  1   258   3   2    0.16070
 H       1.00423  1     31.61385  1    185.22461  1   258   3   2    0.14810
 N       8.36458  0     47.62805  0    220.21231  0     3   2   1   -0.33480
 C       1.47835  0     61.24542  0     67.22159  0   279   3   2   -0.03570
 C       1.51781  0    114.00427  0    109.21645  0   280 279   3    0.28470
 O       1.24606  0    120.23596  0    130.28049  0   281 280 279   -0.43310
 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   -0.04520
 C       1.52311  0    110.76539  0    298.61277  0   284 283 281    0.18630
 O       1.22828  0    119.95573  0    154.36018  0   285 284 283   -0.29360
 H       1.11090  1    117.76002  1    334.46335  1   285 284 283    0.08930
 C       1.54151  1    107.56176  1    176.91754  1   284 283 281   -0.15080
 C       1.52346  1    106.43463  1    359.13396  1   288 284 283   -0.16770
 C       1.53700  1    106.75804  1      2.23883  1   289 288 284   -0.01930
 H       1.12635  1    108.88557  1    116.65228  1   290 289 288    0.05390
 H       1.12394  1    110.43058  1    236.55030  1   290 289 288    0.11650
 H       1.11734  1    111.17888  1    122.66645  1   289 288 284    0.07400
 H       1.12031  1    110.62348  1    243.14008  1   289 288 284    0.11870
 H       1.11770  1    111.06130  1    120.57231  1   288 284 283    0.07800
 H       1.12090  1    109.09956  1    240.01636  1   288 284 283    0.12540
 H       1.13573  1    108.42080  1     58.17422  1   284 283 281    0.17050
 C       1.53616  1    113.85117  1    341.70244  1   280 279   3   -0.10710
 C       1.46947  1    113.13723  1    317.39481  1   298 280 279   -0.13220
 C       1.39501  1    125.69772  1    117.32707  1   299 298 280   -0.08340
 N       1.40039  1    110.42141  1    180.77608  1   300 299 298   -0.21170
 C       1.39978  1    108.03167  1    356.97131  1   301 300 299   -0.00400
 C       1.44809  1    108.19206  1      2.95857  1   302 301 300   -0.06080
 C       1.39421  1    119.29420  1    178.04043  1   303 302 301   -0.05910
 C       1.38879  1    118.98093  1      0.17184  1   304 303 302   -0.17160
 C       1.40459  1    121.36489  1    359.89284  1   305 304 303   -0.12230
 C       1.38753  1    121.55737  1      0.05724  1   306 305 304   -0.16120
 H       1.09711  1    121.17149  1    179.76475  1   307 306 305    0.12030
 H       1.09962  1    119.07906  1    179.68109  1   306 305 304    0.11370
 H       1.09941  1    119.57407  1    179.65708  1   305 304 303    0.12370
 H       1.10024  1    120.14037  1    180.12520  1   304 303 302    0.14410
 H       0.98540  1    124.19235  1    196.90701  1   301 300 299    0.24180
 H       1.09672  1    129.45670  1      0.93402  1   300 299 298    0.18930
 H       1.12498  1    110.45230  1     81.17595  1   298 280 279    0.11630
 H       1.12657  1    107.32507  1    196.79240  1   298 280 279    0.11540
 H       1.13477  1    104.77998  1    224.56866  1   280 279   3    0.12800
 H       1.00109  1     50.74376  1    230.90656  1   279   3   2    0.14640
 H       1.00012  1    137.89022  1    156.28649  1   279   3   2    0.13800
 N      11.52547  0     55.38112  0    264.52042  0     3   2   1   -0.34750
 C       1.46046  0     93.60450  0    112.55228  0   319   3   2   -0.09200
 C       1.52047  0    110.87988  0    175.78694  0   320 319   3    0.20560
 O       1.23737  0    120.84914  0    314.34911  0   321 320 319   -0.30360
 H       1.10824  1    116.32301  1    135.28569  1   321 320 319    0.08870
 C       1.54726  1    115.25430  1     49.87218  1   320 319   3   -0.14040
 C       1.52499  1    109.91854  1    296.14132  1   324 320 319   -0.16270
 C       1.50725  1    113.07058  1    167.27648  1   325 324 320   -0.22490
 H       1.11660  1    111.14967  1     71.35058  1   326 325 324    0.06610
 H       1.12174  1    109.93667  1    191.32621  1   326 325 324    0.11390
 H       1.11759  1    110.71746  1    310.44531  1   326 325 324    0.07040
 H       1.12377  1    109.06932  1    289.50319  1   325 324 320    0.08170
 H       1.12423  1    110.37815  1     46.96020  1   325 324 320    0.09070
 C       1.51338  1    110.12626  1    173.80260  1   324 320 319   -0.21690
 H       1.11740  1    110.83830  1     55.99679  1   332 324 320    0.07340
 H       1.11834  1    109.99925  1    175.83149  1   332 324 320    0.08780
 H       1.11745  1    110.63769  1    295.23194  1   332 324 320    0.06620
 H       1.12669  1    108.36843  1     54.83564  1   324 320 319    0.11010
 H       1.13395  1    105.99708  1    291.82629  1   320 319   3    0.10200
 H       1.00346  1     19.31325  1    321.03496  1   319   3   2    0.16910
 H       1.00324  1    107.93389  1    224.97035  1   319   3   2    0.16110
 N      13.81645  0    117.46542  0    317.45664  0     3   2   1   -0.34980
 C       1.46975  0     69.59418  0    265.79365  0   340   3   2   -0.04840
 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   -0.42100
 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   -0.02890
 C       1.52566  0    113.35886  0    280.16963  0   345 344 342    0.18210
 O       1.22406  0    121.51706  0    139.04305  0   346 345 344   -0.31670
 H       1.11449  1    115.53127  1    318.89582  1   346 345 344    0.12140
 C       1.53845  1    112.16742  1    158.17991  1   345 344 342   -0.16870
 C       1.52261  1    111.31224  1    201.32168  1   349 345 344   -0.10460
 C       1.51495  1    111.05306  1     80.86633  1   350 349 345   -0.21150
 H       1.11700  1    110.64477  1     61.89406  1   351 350 349    0.07730
 H       1.11650  1    110.24733  1    181.82946  1   351 350 349    0.07140
 H       1.11720  1    110.69909  1    301.77679  1   351 350 349    0.07720
 C       1.51513  1    110.28771  1    203.06455  1   350 349 345   -0.21540
 H       1.11684  1    110.77666  1     63.02223  1   355 350 349    0.06560
 H       1.11741  1    110.05962  1    182.80937  1   355 350 349    0.06870
 H       1.11724  1    110.60249  1    302.57962  1   355 350 349    0.08550
 H       1.12855  1    108.44590  1    321.83616  1   350 349 345    0.09710
 H       1.12250  1    110.22924  1    322.72294  1   349 345 344    0.09910
 H       1.12218  1    109.00068  1     79.92482  1   349 345 344    0.08490
 H       1.13476  1    107.14072  1     38.79194  1   345 344 342    0.11840
 H       1.00362  1    122.35469  1     11.94739  1   344 342 341    0.29220
 C       1.52234  1    114.44216  1    321.49330  1   341 340   3   -0.21710
 H       1.11974  1    111.31866  1     52.90820  1   364 341 340    0.10800
 H       1.11649  1    109.50089  1    173.72588  1   364 341 340    0.07390
 H       1.11694  1    110.01376  1    293.13163  1   364 341 340    0.08440
 H       1.13274  1    106.18743  1    201.99651  1   341 340   3    0.10140
 H       1.00639  1     42.28647  1    105.11076  1   340   3   2    0.17920
 H       1.00270  1    110.26123  1     11.09511  1   340   3   2    0.15280
 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   -0.06110
 C       1.52058  0    113.71970  0     78.47512  0   372 371   3    0.26880
 O       1.22780  0    120.16143  0    128.71132  0   373 372 371   -0.38800
 N       1.33334  0    119.06894  0    308.22080  0   373 372 371   -0.37010
 C       1.46344  0    122.73833  0    184.27316  0   375 373 372   -0.03480
 C       1.51251  0    109.68839  0    272.90895  0   376 375 373    0.18760
 O       1.22625  0    122.47880  0    241.57476  0   377 376 375   -0.31330
 H       1.11342  1    115.18181  1     61.65242  1   377 376 375    0.10140
 C       1.53726  1    112.70330  1    149.09628  1   376 375 373   -0.12550
 C       1.48627  1    112.64456  1    308.34906  1   380 376 375   -0.09220
 C       1.39993  1    120.49377  1    287.41775  1   381 380 376   -0.11890
 C       1.39438  1    120.41705  1    178.80323  1   382 381 380   -0.13000
 C       1.39567  1    119.87812  1      0.77385  1   383 382 381   -0.12520
 C       1.39486  1    120.10860  1    359.41720  1   384 383 382   -0.13620
 C       1.39443  1    119.93692  1      0.02987  1   385 384 383   -0.13720
 H       1.10089  1    119.82535  1    181.72877  1   386 385 384    0.12180
 H       1.10312  1    119.90642  1    180.93441  1   385 384 383    0.14100
 H       1.10065  1    119.73093  1    180.48432  1   384 383 382    0.13150
 H       1.10701  1    119.93018  1    181.84848  1   383 382 381    0.17430
 H       1.10033  1    119.85925  1    359.93148  1   382 381 380    0.13280
 H       1.12297  1    109.08690  1     71.36724  1   380 376 375    0.10080
 H       1.12260  1    107.17535  1    187.18363  1   380 376 375    0.09420
 H       1.13546  1    107.62452  1     29.19854  1   376 375 373    0.13540
 H       0.99682  1    121.45682  1    355.49616  1   375 373 372    0.24690
 C       1.54331  1    111.38370  1    315.02102  1   372 371   3   -0.09270
 C       1.47225  1    111.51078  1    193.24213  1   396 372 371   -0.10670
 N       1.39728  1    124.07216  1     68.17898  1   397 396 372   -0.17760
 C       1.39341  1    106.75477  1    181.80630  1   398 397 396   -0.10520
 N       1.35470  1    111.43868  1    357.87695  1   399 398 397   -0.19410
 C       1.38942  1    105.92043  1      1.39869  1   400 399 398   -0.19570
 H       1.09100  1    121.92870  1    179.53036  1   401 400 399    0.17530
 H       1.09513  1    122.95735  1    177.93050  1   399 398 397    0.19770
 H       0.99879  1    124.70061  1    350.96118  1   398 397 396    0.29800
 H       1.12778  1    108.36117  1    314.21880  1   396 372 371    0.12090
 H       1.12238  1    110.90038  1     72.00296  1   396 372 371    0.09390
 H       1.14182  1    107.16550  1    196.91407  1   372 371   3    0.19720
 H       0.99946  1     77.06652  1    175.37269  1   371   3   2    0.15540
 H       0.99826  1    135.96851  1     69.43663  1   371   3   2    0.15140
 H       4.43938  1    102.96352  1    339.47224  1     3   2   1    0.20920
 O       3.61947  0     99.16701  0    345.70505  0     3   2   1   -0.43090
 H       0.96429  1    103.77223  1    318.48451  1   411 410   3    0.21540

