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 H       1.12289  1    109.89096  1    339.47651  1   223 219 218    0.08520
 H       1.12322  1    109.79477  1     96.64164  1   223 219 218    0.09480
 H       1.13416  1    106.19085  1    206.82511  1   219 218   3    0.13800
 H       1.00158  1    111.63202  1     57.51906  1   218   3   2    0.14910
 H       1.00167  1     90.01831  1    307.62866  1   218   3   2    0.13090
 N       9.32589  0    148.49850  0    217.13966  0     3   2   1   -0.32380
 C       1.47774  0     57.95963  0    104.42399  0   240   3   2   -0.11480
 C       1.51432  0    111.43394  0     71.58897  0   241 240   3    0.21700
 O       1.23796  0    120.10755  0    131.27173  0   242 241 240   -0.31840
 H       1.10989  1    117.35831  1    309.60757  1   242 241 240    0.10250
 C       1.54673  1    114.48503  1    308.47461  1   241 240   3   -0.13250
 C       1.51416  1    110.28526  1    180.85780  1   245 241 240   -0.22130
 H       1.11820  1    110.80767  1     61.36924  1   246 245 241    0.10940
 H       1.11786  1    110.13528  1    181.59780  1   246 245 241    0.08080
 H       1.11815  1    110.76376  1    301.11565  1   246 245 241    0.07640
 C       1.51473  1    110.46058  1    302.43694  1   245 241 240   -0.22410
 H       1.11722  1    111.38439  1     68.56334  1   250 245 241    0.05050
 H       1.11825  1    109.93860  1    187.90402  1   250 245 241    0.08660
 H       1.11721  1    110.57017  1    307.43183  1   250 245 241    0.09370
 H       1.12874  1    108.33763  1     61.54259  1   245 241 240    0.10210
 H       1.13296  1    106.69810  1    189.33837  1   241 240   3    0.13770
 H       1.00188  1    121.18109  1     11.26534  1   240   3   2    0.14140
 H       1.00407  1     51.21538  1    281.93338  1   240   3   2    0.13830
 N      10.70920  0    161.02234  0    300.98350  0     3   2   1   -0.33120
 C       1.47447  0     83.51123  0     40.16297  0   258   3   2   -0.10130
 C       1.51972  0    110.88294  0     91.41287  0   259 258   3    0.19650
 O       1.23337  0    122.18349  0    206.71515  0   260 259 258   -0.33260
 H       1.11288  1    116.45782  1     28.92866  1   260 259 258    0.10000
 C       1.53294  1    114.29341  1    323.36838  1   259 258   3   -0.19810
 C       1.52309  1    111.62346  1    279.88292  1   263 259 258   -0.10850
 C       1.51476  1    111.21314  1    153.70501  1   264 263 259   -0.21900
 H       1.11653  1    110.66860  1     66.20849  1   265 264 263    0.06670
 H       1.12195  1    109.44922  1    186.64854  1   265 264 263    0.12410
 H       1.11777  1    110.52154  1    305.76748  1   265 264 263    0.06650
 C       1.51579  1    110.91234  1    276.47656  1   264 263 259   -0.22420
 H       1.11653  1    110.66455  1     67.53516  1   269 264 263    0.05640
 H       1.11774  1    110.04162  1    187.80564  1   269 264 263    0.10220
 H       1.11873  1    110.89986  1    307.18674  1   269 264 263    0.08670
 H       1.12784  1    108.82091  1     35.95279  1   264 263 259    0.08760
 H       1.12386  1    109.67846  1     41.80519  1   263 259 258    0.09350
 H       1.12134  1    109.18668  1    158.93075  1   263 259 258    0.10410
 H       1.13612  1    106.58204  1    204.43156  1   259 258   3    0.12340
 H       1.00348  1     99.92456  1    292.40288  1   258   3   2    0.16070
 H       1.00429  1     31.54794  1    185.34452  1   258   3   2    0.14810
 N       8.36458  0     47.62805  0    220.21231  0     3   2   1   -0.33400
 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    0.28570
 O       1.24606  0    120.23596  0    130.28049  0   281 280 279   -0.42870
 N       1.33720  0    121.52500  0    307.87372  0   281 280 279   -0.29100
 C       1.46123  0    119.81866  0    181.42204  0   283 281 280   -0.04760
 C       1.52311  0    110.76539  0    298.61277  0   284 283 281    0.18670
 O       1.22828  0    119.95573  0    154.36018  0   285 284 283   -0.29250
 H       1.11086  1    117.73999  1    334.47506  1   285 284 283    0.08950
 C       1.54105  1    107.62409  1    176.74754  1   284 283 281   -0.15240
 C       1.52394  1    106.39405  1    358.52600  1   288 284 283   -0.16880
 C       1.53745  1    106.73720  1      3.29910  1   289 288 284   -0.02160
 H       1.12652  1    108.95022  1    115.74488  1   290 289 288    0.05580
 H       1.12389  1    110.57398  1    235.46864  1   290 289 288    0.11560
 H       1.11733  1    111.13533  1    123.51182  1   289 288 284    0.07570
 H       1.12043  1    110.65968  1    243.85814  1   289 288 284    0.11720
 H       1.11788  1    111.07506  1    119.69848  1   288 284 283    0.07860
 H       1.12153  1    109.22881  1    239.02445  1   288 284 283    0.12530
 H       1.13623  1    108.39243  1     58.07778  1   284 283 281    0.17220
 C       1.53490  1    114.37478  1    341.71575  1   280 279   3   -0.11010
 C       1.46938  1    113.43229  1    317.83156  1   298 280 279   -0.13010
 C       1.39518  1    125.94104  1    115.23102  1   299 298 280   -0.08250
 N       1.40086  1    110.39113  1    179.05600  1   300 299 298   -0.20880
 C       1.40051  1    107.94551  1    356.31339  1   301 300 299   -0.01270
 C       1.44815  1    108.20118  1      4.03288  1   302 301 300   -0.05910
 C       1.39412  1    119.31551  1    178.43199  1   303 302 301   -0.06090
 C       1.38883  1    118.97231  1      0.41206  1   304 303 302   -0.17000
 C       1.40453  1    121.35500  1    359.94864  1   305 304 303   -0.12480
 C       1.38758  1    121.56111  1    359.92084  1   306 305 304   -0.15750
 H       1.09710  1    121.19588  1    179.79446  1   307 306 305    0.11970
 H       1.09962  1    119.08518  1    179.41173  1   306 305 304    0.11450
 H       1.09944  1    119.56664  1    179.42229  1   305 304 303    0.12380
 H       1.10033  1    120.08630  1    179.83464  1   304 303 302    0.14520
 H       0.98582  1    123.78392  1    198.22955  1   301 300 299    0.24010
 H       1.09685  1    129.46912  1      1.15735  1   300 299 298    0.18850
 H       1.12455  1    110.42957  1     81.92925  1   298 280 279    0.11930
 H       1.12566  1    107.30030  1    197.72576  1   298 280 279    0.11870
 H       1.13513  1    104.57922  1    224.29328  1   280 279   3    0.12860
 H       1.00110  1     50.52200  1    231.80898  1   279   3   2    0.14560
 H       1.00010  1    137.07333  1    156.62874  1   279   3   2    0.13740
 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   -0.09400
 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   -0.30450
 H       1.10828  1    116.34759  1    135.13352  1   321 320 319    0.08790
 C       1.54722  1    115.51649  1     49.87055  1   320 319   3   -0.13980
 C       1.52470  1    110.01574  1    295.71607  1   324 320 319   -0.16210
 C       1.50727  1    113.11775  1    167.45008  1   325 324 320   -0.22870
 H       1.11659  1    111.09663  1     71.80721  1   326 325 324    0.06400
 H       1.12317  1    109.97051  1    191.73000  1   326 325 324    0.12640
 H       1.11749  1    110.78591  1    310.95303  1   326 325 324    0.06650
 H       1.12355  1    109.16709  1    289.75777  1   325 324 320    0.08250
 H       1.12433  1    110.19422  1     47.14100  1   325 324 320    0.08960
 C       1.51357  1    110.00334  1    173.36905  1   324 320 319   -0.21730
 H       1.11744  1    110.79300  1     57.59011  1   332 324 320    0.07290
 H       1.11827  1    110.00265  1    177.38712  1   332 324 320    0.08860
 H       1.11757  1    110.73474  1    296.79514  1   332 324 320    0.06480
 H       1.12663  1    108.40329  1     54.42606  1   324 320 319    0.10930
 H       1.13410  1    105.90758  1    291.78518  1   320 319   3    0.10250
 H       1.00370  1     19.02798  1    319.85731  1   319   3   2    0.16940
 H       1.00333  1    108.28791  1    225.01018  1   319   3   2    0.16030
 N      13.81645  0    117.46542  0    317.45664  0     3   2   1   -0.35060
 C       1.46975  0     69.59418  0    265.79365  0   340   3   2   -0.04830
 C       1.51854  0    109.42956  0     87.30937  0   341 340   3    0.27550
 O       1.22712  0    121.44309  0    110.88918  0   342 341 340   -0.41990
 N       1.33274  0    115.72040  0    292.58365  0   342 341 340   -0.36120
 C       1.46052  0    118.46101  0    181.64764  0   344 342 341   -0.02880
 C       1.52566  0    113.35886  0    280.16963  0   345 344 342    0.18150
 O       1.22406  0    121.51706  0    139.04305  0   346 345 344   -0.31640
 H       1.11453  1    115.52516  1    318.78083  1   346 345 344    0.12190
 C       1.53863  1    112.08738  1    158.21237  1   345 344 342   -0.16840
 C       1.52251  1    111.31758  1    199.86933  1   349 345 344   -0.11320
 C       1.51491  1    111.10618  1     80.66864  1   350 349 345   -0.21050
 H       1.11703  1    110.66018  1     61.97088  1   351 350 349    0.07960
 H       1.11651  1    110.21916  1    181.90984  1   351 350 349    0.07250
 H       1.11707  1    110.65545  1    301.83151  1   351 350 349    0.07620
 C       1.51506  1    110.32072  1    202.92920  1   350 349 345   -0.21080
 H       1.11684  1    110.77027  1     61.50959  1   355 350 349    0.06430
 H       1.11747  1    109.92496  1    181.23964  1   355 350 349    0.06820
 H       1.11718  1    110.57491  1    301.06013  1   355 350 349    0.08400
 H       1.12873  1    108.45752  1    321.61170  1   350 349 345    0.09920
 H       1.12245  1    110.13923  1    321.15119  1   349 345 344    0.09920
 H       1.12214  1    109.02191  1     78.41330  1   349 345 344    0.08600
 H       1.13457  1    107.17571  1     38.85617  1   345 344 342    0.11910
 H       1.00361  1    122.29391  1     12.63167  1   344 342 341    0.29120
 C       1.52232  1    114.52647  1    321.46202  1   341 340   3   -0.21710
 H       1.11974  1    111.32527  1     52.89113  1   364 341 340    0.10680
 H       1.11651  1    109.51469  1    173.71573  1   364 341 340    0.07460
 H       1.11689  1    110.02151  1    293.13396  1   364 341 340    0.08440
 H       1.13278  1    106.16414  1    201.95947  1   341 340   3    0.10170
 H       1.00631  1     42.62789  1    106.39610  1   340   3   2    0.17960
 H       1.00267  1    109.40241  1     11.39246  1   340   3   2    0.15280
 N      10.80169  0    132.34688  0    329.70543  0     3   2   1   -0.34750
 C       1.44351  0     37.18078  0     10.67837  0   371   3   2   -0.06100
 C       1.52058  0    113.71970  0     78.47512  0   372 371   3    0.26760
 O       1.22780  0    120.16143  0    128.71132  0   373 372 371   -0.38740
 N       1.33334  0    119.06894  0    308.22080  0   373 372 371   -0.37030
 C       1.46344  0    122.73833  0    184.27316  0   375 373 372   -0.03450
 C       1.51251  0    109.68839  0    272.90895  0   376 375 373    0.18740
 O       1.22625  0    122.47880  0    241.57476  0   377 376 375   -0.31280
 H       1.11342  1    115.18451  1     61.66888  1   377 376 375    0.10160
 C       1.53643  1    112.52772  1    149.20809  1   376 375 373   -0.12610
 C       1.48643  1    112.62963  1    308.44035  1   380 376 375   -0.09200
 C       1.39997  1    120.29398  1    286.89885  1   381 380 376   -0.12060
 C       1.39436  1    120.45556  1    179.17674  1   382 381 380   -0.13400
 C       1.39549  1    119.93135  1      0.68470  1   383 382 381   -0.12100
 C       1.39470  1    120.05717  1    359.42743  1   384 383 382   -0.13570
 C       1.39428  1    119.94149  1    359.83477  1   385 384 383   -0.13530
 H       1.10124  1    119.83010  1    181.81694  1   386 385 384    0.12240
 H       1.10330  1    120.12448  1    181.00506  1   385 384 383    0.14240
 H       1.10073  1    119.76827  1    180.38974  1   384 383 382    0.13420
 H       1.10629  1    119.92122  1    181.59003  1   383 382 381    0.16900
 H       1.10033  1    119.83794  1      0.37995  1   382 381 380    0.13150
 H       1.12334  1    109.01206  1     71.48843  1   380 376 375    0.10150
 H       1.12285  1    107.17044  1    187.31031  1   380 376 375    0.09440
 H       1.13501  1    107.71721  1     29.32674  1   376 375 373    0.13470
 H       0.99687  1    121.47433  1    355.61735  1   375 373 372    0.24730
 C       1.54444  1    111.63726  1    314.55369  1   372 371   3   -0.09240
 C       1.47284  1    110.82422  1    193.80749  1   396 372 371   -0.10530
 N       1.39726  1    123.90810  1     70.49890  1   397 396 372   -0.17510
 C       1.39331  1    106.72782  1    182.97304  1   398 397 396   -0.10830
 N       1.35451  1    111.44474  1    357.99076  1   399 398 397   -0.19300
 C       1.38950  1    105.93590  1      1.16897  1   400 399 398   -0.19240
 H       1.09063  1    122.12962  1    180.15946  1   401 400 399    0.17260
 H       1.09513  1    122.90630  1    178.65501  1   399 398 397    0.19630
 H       0.99881  1    124.62285  1    350.76838  1   398 397 396    0.29700
 H       1.12690  1    108.64741  1    314.79633  1   396 372 371    0.12160
 H       1.12198  1    110.99195  1     72.88763  1   396 372 371    0.09450
 H       1.14223  1    107.01837  1    196.71792  1   372 371   3    0.19690
 H       0.99944  1     77.05269  1    175.58364  1   371   3   2    0.15510
 H       0.99816  1    135.85006  1     69.67978  1   371   3   2    0.15150
 H       4.39419  1    104.89161  1    339.70571  1     3   2   1    0.20950
 O       3.61947  0     99.16701  0    345.70505  0     3   2   1   -0.43310
 H       0.96449  1    103.69171  1    317.39859  1   411 410   3    0.21740

