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 H       1.12313  1    109.85687  1     97.10979  1   223 219 218    0.09390
 H       1.13441  1    106.19672  1    206.81382  1   219 218   3    0.13970
 H       1.00152  1    111.33655  1     56.43171  1   218   3   2    0.14950
 H       1.00162  1     90.17062  1    306.48524  1   218   3   2    0.13110
 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   -0.11420
 C       1.51432  0    111.43394  0     71.58897  0   241 240   3    0.21580
 O       1.23796  0    120.10755  0    131.27173  0   242 241 240   -0.31610
 H       1.10984  1    117.36147  1    309.69881  1   242 241 240    0.10320
 C       1.54668  1    114.34331  1    308.58538  1   241 240   3   -0.13310
 C       1.51417  1    110.51514  1    180.87635  1   245 241 240   -0.22040
 H       1.11820  1    110.78691  1     63.50719  1   246 245 241    0.10960
 H       1.11839  1    110.04794  1    183.72427  1   246 245 241    0.07770
 H       1.11814  1    110.85041  1    303.19343  1   246 245 241    0.07820
 C       1.51491  1    110.44091  1    302.49219  1   245 241 240   -0.22340
 H       1.11721  1    111.38216  1     69.35116  1   250 245 241    0.05050
 H       1.11814  1    109.97747  1    188.75709  1   250 245 241    0.08570
 H       1.11730  1    110.56971  1    308.29391  1   250 245 241    0.09300
 H       1.12893  1    108.31976  1     61.60333  1   245 241 240    0.10060
 H       1.13291  1    106.79545  1    189.51983  1   241 240   3    0.13860
 H       1.00187  1    121.50841  1     11.38148  1   240   3   2    0.14080
 H       1.00398  1     51.22237  1    282.34298  1   240   3   2    0.13740
 N      10.70920  0    161.02234  0    300.98350  0     3   2   1   -0.33220
 C       1.47447  0     83.51123  0     40.16297  0   258   3   2   -0.09990
 C       1.51972  0    110.88294  0     91.41287  0   259 258   3    0.19490
 O       1.23337  0    122.18349  0    206.71515  0   260 259 258   -0.33030
 H       1.11285  1    116.45658  1     29.03122  1   260 259 258    0.10000
 C       1.53238  1    114.41208  1    323.17730  1   259 258   3   -0.20090
 C       1.52327  1    111.66058  1    280.54390  1   263 259 258   -0.10490
 C       1.51474  1    111.03090  1    154.31566  1   264 263 259   -0.21910
 H       1.11667  1    110.60417  1     64.27695  1   265 264 263    0.06800
 H       1.12135  1    109.52606  1    184.64071  1   265 264 263    0.12030
 H       1.11785  1    110.51427  1    303.83534  1   265 264 263    0.06600
 C       1.51590  1    110.92726  1    276.92082  1   264 263 259   -0.22330
 H       1.11654  1    110.68884  1     66.45281  1   269 264 263    0.05590
 H       1.11771  1    110.01653  1    186.66905  1   269 264 263    0.10170
 H       1.11875  1    110.86210  1    306.10195  1   269 264 263    0.08710
 H       1.12782  1    108.92082  1     36.48007  1   264 263 259    0.08580
 H       1.12362  1    109.76694  1     42.55204  1   263 259 258    0.09360
 H       1.12118  1    109.06921  1    159.80963  1   263 259 258    0.10680
 H       1.13645  1    106.47337  1    204.26661  1   259 258   3    0.12330
 H       1.00350  1    100.00395  1    292.39528  1   258   3   2    0.16050
 H       1.00425  1     31.51776  1    185.48666  1   258   3   2    0.14800
 N       8.36458  0     47.62805  0    220.21231  0     3   2   1   -0.33370
 C       1.47835  0     61.24542  0     67.22159  0   279   3   2   -0.03790
 C       1.51781  0    114.00427  0    109.21645  0   280 279   3    0.27990
 O       1.24606  0    120.23596  0    130.28049  0   281 280 279   -0.42090
 N       1.33720  0    121.52500  0    307.87372  0   281 280 279   -0.30010
 C       1.46123  0    119.81866  0    181.42204  0   283 281 280   -0.04850
 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   -0.28730
 H       1.11068  1    117.65536  1    334.54672  1   285 284 283    0.09270
 C       1.54075  1    107.62209  1    176.59754  1   284 283 281   -0.15520
 C       1.52390  1    106.41655  1      0.80705  1   288 284 283   -0.17050
 C       1.53733  1    106.75469  1      1.38840  1   289 288 284   -0.02430
 H       1.12631  1    108.85519  1    116.31666  1   290 289 288    0.06100
 H       1.12430  1    110.58690  1    236.02320  1   290 289 288    0.11260
 H       1.11748  1    111.07296  1    121.66406  1   289 288 284    0.08030
 H       1.12013  1    110.74419  1    241.90129  1   289 288 284    0.11510
 H       1.11775  1    110.98431  1    122.18129  1   288 284 283    0.08510
 H       1.12075  1    109.35232  1    241.50253  1   288 284 283    0.12550
 H       1.13495  1    108.63289  1     57.52729  1   284 283 281    0.16180
 C       1.53612  1    113.35691  1    341.92902  1   280 279   3   -0.09840
 C       1.46984  1    112.84102  1    314.05687  1   298 280 279   -0.13510
 C       1.39550  1    125.53665  1    120.01630  1   299 298 280   -0.08430
 N       1.39989  1    110.42355  1    181.37840  1   300 299 298   -0.20900
 C       1.40013  1    107.98426  1    356.60652  1   301 300 299   -0.00840
 C       1.44809  1    108.16045  1      3.19546  1   302 301 300   -0.05700
 C       1.39508  1    119.22422  1    178.37069  1   303 302 301   -0.05920
 C       1.38855  1    119.00132  1    359.84937  1   304 303 302   -0.16940
 C       1.40457  1    121.41712  1      0.05734  1   305 304 303   -0.12360
 C       1.38751  1    121.51785  1      0.02596  1   306 305 304   -0.15700
 H       1.09728  1    121.21143  1    179.78344  1   307 306 305    0.11970
 H       1.09959  1    119.11510  1    179.73399  1   306 305 304    0.11440
 H       1.09954  1    119.53447  1    179.60632  1   305 304 303    0.12480
 H       1.10032  1    120.22173  1    179.32364  1   304 303 302    0.14620
 H       0.98555  1    124.09328  1    197.43802  1   301 300 299    0.24050
 H       1.09674  1    129.49379  1      1.04923  1   300 299 298    0.18860
 H       1.12414  1    110.41272  1     77.09740  1   298 280 279    0.10330
 H       1.12520  1    107.50501  1    193.25388  1   298 280 279    0.11860
 H       1.13489  1    104.92267  1    224.60217  1   280 279   3    0.13510
 H       1.00077  1     51.43308  1    228.41992  1   279   3   2    0.14600
 H       0.99997  1    139.98273  1    155.01667  1   279   3   2    0.13820
 N      11.52547  0     55.38112  0    264.52042  0     3   2   1   -0.34570
 C       1.46046  0     93.60450  0    112.55228  0   319   3   2   -0.09280
 C       1.52047  0    110.87988  0    175.78694  0   320 319   3    0.20580
 O       1.23737  0    120.84914  0    314.34911  0   321 320 319   -0.30480
 H       1.10824  1    116.32602  1    135.02719  1   321 320 319    0.09020
 C       1.54717  1    115.94560  1     50.20280  1   320 319   3   -0.13960
 C       1.52371  1    110.28789  1    296.91762  1   324 320 319   -0.16120
 C       1.50737  1    112.91001  1    168.66275  1   325 324 320   -0.22020
 H       1.11674  1    111.41189  1     66.59920  1   326 325 324    0.06990
 H       1.12065  1    109.96127  1    186.71636  1   326 325 324    0.10300
 H       1.11750  1    110.70064  1    306.00435  1   326 325 324    0.07070
 H       1.12391  1    109.12070  1    290.87149  1   325 324 320    0.08410
 H       1.12428  1    110.24532  1     48.23933  1   325 324 320    0.08560
 C       1.51406  1    109.57678  1    174.79055  1   324 320 319   -0.21920
 H       1.11789  1    110.73887  1     56.38718  1   332 324 320    0.07510
 H       1.11718  1    110.13013  1    176.05588  1   332 324 320    0.08770
 H       1.11734  1    110.66952  1    295.66758  1   332 324 320    0.06890
 H       1.12629  1    108.47383  1     55.87461  1   324 320 319    0.10930
 H       1.13383  1    105.90885  1    291.86392  1   320 319   3    0.10460
 H       1.00326  1     18.49200  1    316.11426  1   319   3   2    0.16810
 H       1.00322  1    109.69264  1    225.30923  1   319   3   2    0.15930
 N      13.81645  0    117.46542  0    317.45664  0     3   2   1   -0.35000
 C       1.46975  0     69.59418  0    265.79365  0   340   3   2   -0.04720
 C       1.51854  0    109.42956  0     87.30937  0   341 340   3    0.27280
 O       1.22712  0    121.44309  0    110.88918  0   342 341 340   -0.42290
 N       1.33274  0    115.72040  0    292.58365  0   342 341 340   -0.36030
 C       1.46052  0    118.46101  0    181.64764  0   344 342 341   -0.02700
 C       1.52566  0    113.35886  0    280.16963  0   345 344 342    0.18380
 O       1.22406  0    121.51706  0    139.04305  0   346 345 344   -0.31770
 H       1.11435  1    115.59054  1    318.86075  1   346 345 344    0.12020
 C       1.53882  1    111.64669  1    158.65722  1   345 344 342   -0.17130
 C       1.52264  1    111.82397  1    194.70218  1   349 345 344   -0.10550
 C       1.51453  1    111.18738  1     78.39780  1   350 349 345   -0.20330
 H       1.11712  1    110.63308  1     60.17234  1   351 350 349    0.07530
 H       1.11665  1    110.23434  1    180.02995  1   351 350 349    0.06570
 H       1.11670  1    110.75069  1    299.97866  1   351 350 349    0.07620
 C       1.51498  1    110.23065  1    200.61628  1   350 349 345   -0.21770
 H       1.11706  1    110.80908  1     58.56651  1   355 350 349    0.06710
 H       1.11735  1    110.04392  1    178.22627  1   355 350 349    0.06640
 H       1.11752  1    110.64827  1    298.13198  1   355 350 349    0.09050
 H       1.12853  1    108.51042  1    319.31519  1   350 349 345    0.09540
 H       1.12288  1    109.65199  1    315.75622  1   349 345 344    0.09970
 H       1.12196  1    109.07119  1     72.73631  1   349 345 344    0.08830
 H       1.13362  1    107.42031  1     39.19419  1   345 344 342    0.11630
 H       1.00392  1    122.39802  1     11.63334  1   344 342 341    0.29330
 C       1.52220  1    114.26849  1    321.56847  1   341 340   3   -0.21740
 H       1.11990  1    111.32856  1     52.74525  1   364 341 340    0.11020
 H       1.11648  1    109.48317  1    173.56458  1   364 341 340    0.07290
 H       1.11685  1    110.00275  1    292.98680  1   364 341 340    0.08470
 H       1.13258  1    106.28097  1    202.02992  1   341 340   3    0.10040
 H       1.00652  1     41.34401  1     99.88529  1   340   3   2    0.18240
 H       1.00256  1    113.72906  1      9.91963  1   340   3   2    0.15090
 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   -0.06450
 C       1.52058  0    113.71970  0     78.47512  0   372 371   3    0.27170
 O       1.22780  0    120.16143  0    128.71132  0   373 372 371   -0.38710
 N       1.33334  0    119.06894  0    308.22080  0   373 372 371   -0.37070
 C       1.46344  0    122.73833  0    184.27316  0   375 373 372   -0.03640
 C       1.51251  0    109.68839  0    272.90895  0   376 375 373    0.18730
 O       1.22625  0    122.47880  0    241.57476  0   377 376 375   -0.31360
 H       1.11338  1    115.16329  1     61.72271  1   377 376 375    0.10130
 C       1.53684  1    112.59054  1    148.90329  1   376 375 373   -0.12510
 C       1.48638  1    112.51997  1    308.02399  1   380 376 375   -0.09220
 C       1.39743  1    120.53254  1    286.28121  1   381 380 376   -0.11850
 C       1.39595  1    120.43638  1    178.99350  1   382 381 380   -0.12630
 C       1.39600  1    119.82367  1      0.74457  1   383 382 381   -0.12610
 C       1.39588  1    120.15813  1    359.40811  1   384 383 382   -0.13740
 C       1.39488  1    119.91044  1    359.97090  1   385 384 383   -0.13860
 H       1.10103  1    119.81879  1    181.82184  1   386 385 384    0.12170
 H       1.10308  1    120.16739  1    180.97527  1   385 384 383    0.13990
 H       1.10054  1    119.68405  1    180.44012  1   384 383 382    0.12930
 H       1.10734  1    119.92640  1    182.45517  1   383 382 381    0.17810
 H       1.10027  1    119.77789  1      0.32011  1   382 381 380    0.13300
 H       1.12315  1    109.10518  1     70.93651  1   380 376 375    0.09970
 H       1.12255  1    107.26489  1    186.71249  1   380 376 375    0.09370
 H       1.13573  1    107.63439  1     29.13807  1   376 375 373    0.13750
 H       0.99674  1    121.46673  1    355.19336  1   375 373 372    0.24630
 C       1.54332  1    111.00530  1    314.53551  1   372 371   3   -0.08850
 C       1.47147  1    111.03787  1    191.91278  1   396 372 371   -0.11360
 N       1.39833  1    123.93293  1     70.05175  1   397 396 372   -0.17990
 C       1.39372  1    106.64634  1    182.69866  1   398 397 396   -0.10230
 N       1.35403  1    111.39643  1    357.72542  1   399 398 397   -0.18940
 C       1.38895  1    106.06453  1      1.26283  1   400 399 398   -0.19240
 H       1.09100  1    121.81304  1    179.94319  1   401 400 399    0.17640
 H       1.09539  1    123.11878  1    178.15482  1   399 398 397    0.19930
 H       0.99831  1    124.61391  1    350.31191  1   398 397 396    0.29600
 H       1.12679  1    108.45856  1    313.10821  1   396 372 371    0.11950
 H       1.12248  1    110.77543  1     71.18458  1   396 372 371    0.09220
 H       1.14211  1    107.20459  1    196.70699  1   372 371   3    0.19750
 H       0.99947  1     77.02893  1    175.24803  1   371   3   2    0.15430
 H       0.99828  1    136.01511  1     69.44476  1   371   3   2    0.15060
 H       4.49242  1    101.07113  1    340.24108  1     3   2   1    0.21080
 O       3.61947  0     99.16701  0    345.70505  0     3   2   1   -0.43190
 H       0.96486  1    103.75673  1    323.76380  1   411 410   3    0.21530

