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 H       1.12300  1    110.05988  1    341.20648  1   223 219 218    0.08590
 H       1.12303  1    109.91748  1     98.63585  1   223 219 218    0.09350
 H       1.13461  1    106.02601  1    206.78107  1   219 218   3    0.14200
 H       1.00125  1    110.47596  1     54.05501  1   218   3   2    0.14990
 H       1.00140  1     90.56747  1    303.99065  1   218   3   2    0.13160
 N       9.32589  0    148.49850  0    217.13966  0     3   2   1   -0.32170
 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    0.21390
 O       1.23796  0    120.10755  0    131.27173  0   242 241 240   -0.31050
 H       1.10984  1    117.37000  1    309.39512  1   242 241 240    0.10230
 C       1.54630  1    114.44475  1    308.23308  1   241 240   3   -0.13170
 C       1.51438  1    110.52031  1    180.97303  1   245 241 240   -0.22140
 H       1.11813  1    110.82400  1     64.47249  1   246 245 241    0.11190
 H       1.11881  1    109.98218  1    184.80137  1   246 245 241    0.07400
 H       1.11799  1    110.90094  1    304.20454  1   246 245 241    0.08200
 C       1.51505  1    110.35603  1    302.56782  1   245 241 240   -0.22470
 H       1.11724  1    111.35848  1     69.96976  1   250 245 241    0.05000
 H       1.11796  1    110.04146  1    189.46580  1   250 245 241    0.08420
 H       1.11745  1    110.53443  1    308.95782  1   250 245 241    0.09490
 H       1.12911  1    108.35148  1     61.66794  1   245 241 240    0.09590
 H       1.13341  1    106.66645  1    189.20230  1   241 240   3    0.13980
 H       1.00185  1    121.62051  1     11.40990  1   240   3   2    0.14080
 H       1.00384  1     51.24699  1    282.44536  1   240   3   2    0.13600
 N      10.70920  0    161.02234  0    300.98350  0     3   2   1   -0.33190
 C       1.47447  0     83.51123  0     40.16297  0   258   3   2   -0.10070
 C       1.51972  0    110.88294  0     91.41287  0   259 258   3    0.19550
 O       1.23337  0    122.18349  0    206.71515  0   260 259 258   -0.32810
 H       1.11278  1    116.42143  1     29.20896  1   260 259 258    0.09920
 C       1.53196  1    114.36297  1    323.22458  1   259 258   3   -0.20090
 C       1.52309  1    111.75920  1    280.84116  1   263 259 258   -0.10500
 C       1.51492  1    111.02472  1    154.62603  1   264 263 259   -0.21570
 H       1.11673  1    110.56312  1     63.93175  1   265 264 263    0.07020
 H       1.12100  1    109.51123  1    184.28319  1   265 264 263    0.11660
 H       1.11767  1    110.49547  1    303.55516  1   265 264 263    0.06370
 C       1.51590  1    110.95893  1    277.14044  1   264 263 259   -0.22340
 H       1.11647  1    110.67386  1     65.97484  1   269 264 263    0.05560
 H       1.11777  1    109.99810  1    186.16586  1   269 264 263    0.10110
 H       1.11883  1    110.81878  1    305.60153  1   269 264 263    0.08880
 H       1.12757  1    108.96276  1     36.67111  1   264 263 259    0.08400
 H       1.12372  1    109.72470  1     42.88448  1   263 259 258    0.09400
 H       1.12138  1    108.96429  1    160.09500  1   263 259 258    0.10920
 H       1.13637  1    106.62587  1    204.33367  1   259 258   3    0.12210
 H       1.00306  1    102.86756  1    292.54473  1   258   3   2    0.15740
 H       1.00382  1     29.47657  1    190.16550  1   258   3   2    0.14960
 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   -0.04020
 C       1.51781  0    114.00427  0    109.21645  0   280 279   3    0.27720
 O       1.24606  0    120.23596  0    130.28049  0   281 280 279   -0.40640
 N       1.33720  0    121.52500  0    307.87372  0   281 280 279   -0.31350
 C       1.46123  0    119.81866  0    181.42204  0   283 281 280   -0.05210
 C       1.52311  0    110.76539  0    298.61277  0   284 283 281    0.18550
 O       1.22828  0    119.95573  0    154.36018  0   285 284 283   -0.27960
 H       1.11042  1    117.52957  1    334.60829  1   285 284 283    0.09740
 C       1.54135  1    107.57375  1    176.92401  1   284 283 281   -0.15980
 C       1.52400  1    106.42393  1      1.90216  1   288 284 283   -0.17280
 C       1.53781  1    106.71741  1      1.19471  1   289 288 284   -0.02680
 H       1.12641  1    108.71273  1    115.74542  1   290 289 288    0.06850
 H       1.12431  1    110.94058  1    235.27509  1   290 289 288    0.10490
 H       1.11780  1    110.98173  1    121.25320  1   289 288 284    0.08750
 H       1.11957  1    111.01549  1    241.27541  1   289 288 284    0.10760
 H       1.11814  1    110.87251  1    123.03807  1   288 284 283    0.09400
 H       1.12096  1    109.64046  1    241.94093  1   288 284 283    0.11880
 H       1.13325  1    108.88425  1     57.31347  1   284 283 281    0.15190
 C       1.53535  1    113.46403  1    341.03868  1   280 279   3   -0.08920
 C       1.47031  1    112.46976  1    311.78666  1   298 280 279   -0.14250
 C       1.39502  1    125.52026  1    119.07575  1   299 298 280   -0.08390
 N       1.39967  1    110.45980  1    181.52786  1   300 299 298   -0.21020
 C       1.40058  1    107.95875  1    356.57972  1   301 300 299   -0.00170
 C       1.44782  1    108.24978  1      3.19108  1   302 301 300   -0.05030
 C       1.39461  1    119.20879  1    178.53663  1   303 302 301   -0.06230
 C       1.38868  1    118.94674  1    359.72366  1   304 303 302   -0.16690
 C       1.40433  1    121.46258  1      0.17214  1   305 304 303   -0.12160
 C       1.38739  1    121.51393  1      0.00000  1   306 305 304   -0.16190
 H       1.09709  1    121.19991  1    179.77003  1   307 306 305    0.11970
 H       1.09965  1    119.09678  1    179.67283  1   306 305 304    0.11490
 H       1.09968  1    119.47467  1    179.45877  1   305 304 303    0.12640
 H       1.10104  1    120.39446  1    178.75721  1   304 303 302    0.15020
 H       0.98564  1    123.97255  1    197.95907  1   301 300 299    0.24060
 H       1.09638  1    129.51547  1      1.23076  1   300 299 298    0.18730
 H       1.12337  1    110.36205  1     74.33689  1   298 280 279    0.08430
 H       1.12557  1    107.49176  1    191.03433  1   298 280 279    0.12530
 H       1.13629  1    104.86815  1    224.16362  1   280 279   3    0.14310
 H       1.00037  1     52.02187  1    227.03799  1   279   3   2    0.14450
 H       0.99972  1    141.51651  1    154.27355  1   279   3   2    0.13910
 N      11.52547  0     55.38112  0    264.52042  0     3   2   1   -0.34150
 C       1.46046  0     93.60450  0    112.55228  0   319   3   2   -0.09430
 C       1.52047  0    110.87988  0    175.78694  0   320 319   3    0.20680
 O       1.23737  0    120.84914  0    314.34911  0   321 320 319   -0.30620
 H       1.10832  1    116.32264  1    134.71443  1   321 320 319    0.09200
 C       1.54665  1    116.61113  1     51.02576  1   320 319   3   -0.13930
 C       1.52275  1    110.50242  1    296.11305  1   324 320 319   -0.16200
 C       1.50768  1    112.40830  1    169.20273  1   325 324 320   -0.21720
 H       1.11715  1    111.19088  1     64.90826  1   326 325 324    0.07850
 H       1.11905  1    110.00893  1    184.40591  1   326 325 324    0.08890
 H       1.11729  1    110.82410  1    304.27297  1   326 325 324    0.06880
 H       1.12402  1    109.26611  1    291.12266  1   325 324 320    0.09020
 H       1.12403  1    110.01949  1     48.67287  1   325 324 320    0.07920
 C       1.51548  1    109.34011  1    174.03189  1   324 320 319   -0.22170
 H       1.11777  1    110.64492  1     56.30529  1   332 324 320    0.07980
 H       1.11696  1    110.28343  1    176.01607  1   332 324 320    0.08840
 H       1.11739  1    110.75335  1    295.47082  1   332 324 320    0.07010
 H       1.12622  1    108.47312  1     55.31668  1   324 320 319    0.10710
 H       1.13345  1    105.97469  1    292.22235  1   320 319   3    0.10790
 H       1.00350  1     18.54961  1    319.02917  1   319   3   2    0.16500
 H       1.00320  1    108.74536  1    225.16801  1   319   3   2    0.15790
 N      13.81645  0    117.46542  0    317.45664  0     3   2   1   -0.34920
 C       1.46975  0     69.59418  0    265.79365  0   340   3   2   -0.04810
 C       1.51854  0    109.42956  0     87.30937  0   341 340   3    0.27140
 O       1.22712  0    121.44309  0    110.88918  0   342 341 340   -0.42560
 N       1.33274  0    115.72040  0    292.58365  0   342 341 340   -0.36010
 C       1.46052  0    118.46101  0    181.64764  0   344 342 341   -0.02500
 C       1.52566  0    113.35886  0    280.16963  0   345 344 342    0.18640
 O       1.22406  0    121.51706  0    139.04305  0   346 345 344   -0.32000
 H       1.11421  1    115.58562  1    318.97601  1   346 345 344    0.11980
 C       1.54117  1    110.49296  1    159.22393  1   345 344 342   -0.17480
 C       1.51994  1    113.11782  1    184.93068  1   349 345 344   -0.10300
 C       1.51439  1    111.29243  1     76.28204  1   350 349 345   -0.20510
 H       1.11673  1    110.68630  1     59.50209  1   351 350 349    0.07440
 H       1.11671  1    110.17733  1    179.29585  1   351 350 349    0.06280
 H       1.11667  1    110.54080  1    299.29541  1   351 350 349    0.07710
 C       1.51598  1    109.79767  1    198.47684  1   350 349 345   -0.21960
 H       1.11752  1    110.74842  1     56.63365  1   355 350 349    0.06930
 H       1.11741  1    109.92967  1    176.20366  1   355 350 349    0.06310
 H       1.11741  1    110.81620  1    296.34326  1   355 350 349    0.09870
 H       1.12790  1    108.95318  1    316.93497  1   350 349 345    0.09130
 H       1.12307  1    109.12133  1    306.44986  1   349 345 344    0.10060
 H       1.12327  1    108.82270  1     63.06566  1   349 345 344    0.09300
 H       1.13232  1    107.91180  1     39.81519  1   345 344 342    0.11410
 H       1.00467  1    122.45016  1     10.98074  1   344 342 341    0.29610
 C       1.52222  1    114.20255  1    321.59833  1   341 340   3   -0.21750
 H       1.12003  1    111.32703  1     52.72477  1   364 341 340    0.11300
 H       1.11644  1    109.47342  1    173.53165  1   364 341 340    0.07150
 H       1.11681  1    110.00503  1    292.96481  1   364 341 340    0.08370
 H       1.13251  1    106.29394  1    202.06395  1   341 340   3    0.09910
 H       1.00675  1     41.06783  1     98.53585  1   340   3   2    0.18270
 H       1.00259  1    114.51895  1      9.61496  1   340   3   2    0.15090
 N      10.80169  0    132.34688  0    329.70543  0     3   2   1   -0.34800
 C       1.44351  0     37.18078  0     10.67837  0   371   3   2   -0.06730
 C       1.52058  0    113.71970  0     78.47512  0   372 371   3    0.27550
 O       1.22780  0    120.16143  0    128.71132  0   373 372 371   -0.38660
 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    0.18720
 O       1.22625  0    122.47880  0    241.57476  0   377 376 375   -0.31570
 H       1.11349  1    115.21716  1     61.71134  1   377 376 375    0.10160
 C       1.53697  1    112.83605  1    149.56941  1   376 375 373   -0.12550
 C       1.48622  1    113.16243  1    307.43798  1   380 376 375   -0.09140
 C       1.39969  1    120.62204  1    291.58241  1   381 380 376   -0.11740
 C       1.39506  1    120.53225  1    179.08362  1   382 381 380   -0.12350
 C       1.39538  1    119.76104  1      0.69954  1   383 382 381   -0.12600
 C       1.39472  1    120.17232  1    359.36537  1   384 383 382   -0.14160
 C       1.39443  1    119.92065  1      0.00000  1   385 384 383   -0.13910
 H       1.10022  1    119.84179  1    181.47352  1   386 385 384    0.11990
 H       1.10250  1    120.29908  1    181.90084  1   385 384 383    0.13530
 H       1.09992  1    119.70706  1    180.60772  1   384 383 382    0.12240
 H       1.10903  1    119.72281  1    182.40684  1   383 382 381    0.18690
 H       1.10068  1    119.93013  1      0.77206  1   382 381 380    0.13650
 H       1.12322  1    108.98379  1     70.85285  1   380 376 375    0.09910
 H       1.12299  1    107.08487  1    186.49332  1   380 376 375    0.09330
 H       1.13530  1    107.67426  1     29.39303  1   376 375 373    0.13910
 H       0.99641  1    121.45321  1    355.06718  1   375 373 372    0.24510
 C       1.54294  1    111.16940  1    314.60894  1   372 371   3   -0.08590
 C       1.47093  1    111.15906  1    190.33332  1   396 372 371   -0.12400
 N       1.39839  1    124.32129  1     69.27631  1   397 396 372   -0.18500
 C       1.39482  1    106.63282  1    182.86092  1   398 397 396   -0.09820
 N       1.35368  1    111.41017  1    358.03795  1   399 398 397   -0.17340
 C       1.38843  1    106.00163  1      1.17601  1   400 399 398   -0.19220
 H       1.09018  1    121.66948  1    179.69712  1   401 400 399    0.17520
 H       1.09612  1    123.32740  1    178.49603  1   399 398 397    0.20430
 H       0.99757  1    124.56062  1    351.29915  1   398 397 396    0.29300
 H       1.12674  1    108.43151  1    311.49810  1   396 372 371    0.11660
 H       1.12247  1    110.83957  1     69.55363  1   396 372 371    0.09020
 H       1.14213  1    107.33251  1    196.82862  1   372 371   3    0.19900
 H       0.99947  1     77.05419  1    174.98480  1   371   3   2    0.15320
 H       0.99835  1    136.06682  1     69.21112  1   371   3   2    0.14990
 H       4.53883  1     99.93269  1    341.96379  1     3   2   1    0.21080
 O       3.61947  0     99.16701  0    345.70505  0     3   2   1   -0.44230
 H       0.96604  1    103.79757  1    320.88942  1   411 410   3    0.22470

