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 H       1.12306  1    109.91890  1     98.76589  1   223 219 218    0.09350
 H       1.13440  1    106.06986  1    206.83001  1   219 218   3    0.14210
 H       1.00141  1    110.47357  1     53.89912  1   218   3   2    0.15030
 H       1.00155  1     90.54452  1    303.72586  1   218   3   2    0.13170
 N       9.32589  0    148.49850  0    217.13966  0     3   2   1   -0.32180
 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    0.21410
 O       1.23796  0    120.10755  0    131.27173  0   242 241 240   -0.31060
 H       1.10982  1    117.35482  1    309.55498  1   242 241 240    0.10220
 C       1.54640  1    114.44504  1    308.21841  1   241 240   3   -0.13170
 C       1.51435  1    110.53300  1    180.97496  1   245 241 240   -0.22150
 H       1.11815  1    110.81895  1     64.55097  1   246 245 241    0.11190
 H       1.11872  1    109.98810  1    184.82631  1   246 245 241    0.07390
 H       1.11808  1    110.90215  1    304.23497  1   246 245 241    0.08220
 C       1.51496  1    110.35662  1    302.55789  1   245 241 240   -0.22470
 H       1.11725  1    111.34942  1     69.99155  1   250 245 241    0.05010
 H       1.11800  1    110.03272  1    189.51946  1   250 245 241    0.08420
 H       1.11738  1    110.53073  1    309.00188  1   250 245 241    0.09480
 H       1.12918  1    108.37264  1     61.69037  1   245 241 240    0.09580
 H       1.13336  1    106.67334  1    189.19410  1   241 240   3    0.13980
 H       1.00186  1    121.62529  1     11.42284  1   240   3   2    0.14090
 H       1.00387  1     51.25798  1    282.44029  1   240   3   2    0.13600
 N      10.70920  0    161.02234  0    300.98350  0     3   2   1   -0.33370
 C       1.47447  0     83.51123  0     40.16297  0   258   3   2   -0.09940
 C       1.51972  0    110.88294  0     91.41287  0   259 258   3    0.19530
 O       1.23337  0    122.18349  0    206.71515  0   260 259 258   -0.32810
 H       1.11278  1    116.41268  1     29.09362  1   260 259 258    0.09900
 C       1.53202  1    114.39100  1    323.22910  1   259 258   3   -0.20100
 C       1.52314  1    111.77223  1    280.84131  1   263 259 258   -0.10490
 C       1.51482  1    111.03895  1    154.66318  1   264 263 259   -0.21570
 H       1.11677  1    110.56203  1     63.93239  1   265 264 263    0.07020
 H       1.12099  1    109.51170  1    184.27338  1   265 264 263    0.11640
 H       1.11766  1    110.49346  1    303.55312  1   265 264 263    0.06380
 C       1.51584  1    110.95170  1    277.10975  1   264 263 259   -0.22330
 H       1.11644  1    110.68781  1     65.96013  1   269 264 263    0.05550
 H       1.11778  1    109.99949  1    186.13285  1   269 264 263    0.10100
 H       1.11888  1    110.80571  1    305.57822  1   269 264 263    0.08890
 H       1.12767  1    108.94416  1     36.71352  1   264 263 259    0.08410
 H       1.12378  1    109.74845  1     42.95836  1   263 259 258    0.09420
 H       1.12144  1    108.97369  1    160.11172  1   263 259 258    0.10910
 H       1.13642  1    106.64118  1    204.28120  1   259 258   3    0.12190
 H       1.00318  1    103.21898  1    292.59180  1   258   3   2    0.15780
 H       1.00401  1     29.77004  1    190.37317  1   258   3   2    0.15040
 N       8.36458  0     47.62805  0    220.21231  0     3   2   1   -0.33270
 C       1.47835  0     61.24542  0     67.22159  0   279   3   2   -0.04050
 C       1.51781  0    114.00427  0    109.21645  0   280 279   3    0.27680
 O       1.24606  0    120.23596  0    130.28049  0   281 280 279   -0.40560
 N       1.33720  0    121.52500  0    307.87372  0   281 280 279   -0.31430
 C       1.46123  0    119.81866  0    181.42204  0   283 281 280   -0.05200
 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   -0.27960
 H       1.11044  1    117.54414  1    334.52205  1   285 284 283    0.09750
 C       1.54131  1    107.56670  1    176.91840  1   284 283 281   -0.15970
 C       1.52394  1    106.41873  1      1.87661  1   288 284 283   -0.17370
 C       1.53793  1    106.70995  1      1.15027  1   289 288 284   -0.02380
 H       1.12627  1    108.72485  1    115.69999  1   290 289 288    0.06750
 H       1.12437  1    110.93962  1    235.17646  1   290 289 288    0.10440
 H       1.11784  1    110.96574  1    121.29297  1   289 288 284    0.08760
 H       1.11930  1    110.96878  1    241.12914  1   289 288 284    0.10770
 H       1.11823  1    110.85271  1    123.11621  1   288 284 283    0.09430
 H       1.12093  1    109.64517  1    242.02612  1   288 284 283    0.11810
 H       1.13324  1    108.86705  1     57.39483  1   284 283 281    0.15120
 C       1.53507  1    113.40990  1    341.06537  1   280 279   3   -0.08910
 C       1.47016  1    112.40353  1    311.50135  1   298 280 279   -0.14270
 C       1.39525  1    125.43911  1    119.00961  1   299 298 280   -0.08370
 N       1.39958  1    110.45852  1    181.78045  1   300 299 298   -0.21020
 C       1.40051  1    107.95701  1    356.58235  1   301 300 299   -0.00160
 C       1.44792  1    108.25625  1      3.18380  1   302 301 300   -0.05020
 C       1.39454  1    119.20468  1    178.51246  1   303 302 301   -0.06250
 C       1.38849  1    118.94114  1    359.65547  1   304 303 302   -0.16700
 C       1.40424  1    121.45879  1      0.10005  1   305 304 303   -0.12110
 C       1.38746  1    121.51091  1    359.92815  1   306 305 304   -0.16220
 H       1.09701  1    121.20155  1    179.57835  1   307 306 305    0.11960
 H       1.09965  1    119.09204  1    179.70941  1   306 305 304    0.11470
 H       1.09963  1    119.46647  1    179.51326  1   305 304 303    0.12640
 H       1.10107  1    120.34585  1    178.75828  1   304 303 302    0.15020
 H       0.98567  1    123.96373  1    197.96479  1   301 300 299    0.24050
 H       1.09631  1    129.53657  1      1.62574  1   300 299 298    0.18770
 H       1.12334  1    110.35261  1     74.00121  1   298 280 279    0.08440
 H       1.12531  1    107.51248  1    190.91144  1   298 280 279    0.12520
 H       1.13630  1    104.82689  1    224.20956  1   280 279   3    0.14330
 H       1.00036  1     52.01201  1    226.90651  1   279   3   2    0.14450
 H       0.99965  1    141.56317  1    154.12058  1   279   3   2    0.13900
 N      11.52547  0     55.38112  0    264.52042  0     3   2   1   -0.34100
 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    0.20590
 O       1.23737  0    120.84914  0    314.34911  0   321 320 319   -0.30590
 H       1.10833  1    116.32330  1    134.88209  1   321 320 319    0.09220
 C       1.54642  1    116.67436  1     51.10606  1   320 319   3   -0.13920
 C       1.52228  1    110.57179  1    296.05278  1   324 320 319   -0.16220
 C       1.50757  1    112.34547  1    169.24022  1   325 324 320   -0.21640
 H       1.11707  1    111.21867  1     64.71849  1   326 325 324    0.07890
 H       1.11881  1    110.03743  1    184.19519  1   326 325 324    0.08730
 H       1.11731  1    110.80490  1    304.06501  1   326 325 324    0.06900
 H       1.12395  1    109.29655  1    291.08074  1   325 324 320    0.09060
 H       1.12395  1    109.99873  1     48.64258  1   325 324 320    0.07910
 C       1.51531  1    109.35021  1    174.08127  1   324 320 319   -0.22180
 H       1.11776  1    110.64771  1     56.29447  1   332 324 320    0.08000
 H       1.11701  1    110.28001  1    175.98429  1   332 324 320    0.08830
 H       1.11739  1    110.74912  1    295.42793  1   332 324 320    0.07020
 H       1.12631  1    108.43953  1     55.22960  1   324 320 319    0.10730
 H       1.13373  1    105.88433  1    292.13492  1   320 319   3    0.10810
 H       1.00351  1     18.56106  1    319.18993  1   319   3   2    0.16480
 H       1.00325  1    108.62837  1    225.12480  1   319   3   2    0.15770
 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   -0.36020
 C       1.46052  0    118.46101  0    181.64764  0   344 342 341   -0.02460
 C       1.52566  0    113.35886  0    280.16963  0   345 344 342    0.18590
 O       1.22406  0    121.51706  0    139.04305  0   346 345 344   -0.31980
 H       1.11426  1    115.59356  1    318.70395  1   346 345 344    0.11970
 C       1.54090  1    110.40778  1    159.45487  1   345 344 342   -0.17370
 C       1.52061  1    113.10290  1    184.89150  1   349 345 344   -0.10320
 C       1.51403  1    111.34128  1     76.06933  1   350 349 345   -0.20770
 H       1.11696  1    110.63372  1     59.53931  1   351 350 349    0.07800
 H       1.11655  1    110.19492  1    179.43460  1   351 350 349    0.06270
 H       1.11667  1    110.49958  1    299.15935  1   351 350 349    0.07680
 C       1.51590  1    109.79801  1    198.36175  1   350 349 345   -0.21910
 H       1.11747  1    110.75003  1     56.53984  1   355 350 349    0.06940
 H       1.11738  1    109.92527  1    176.15451  1   355 350 349    0.06300
 H       1.11743  1    110.81084  1    296.22950  1   355 350 349    0.09860
 H       1.12793  1    109.00505  1    316.77272  1   350 349 345    0.09080
 H       1.12284  1    109.03769  1    306.26401  1   349 345 344    0.09890
 H       1.12337  1    108.77138  1     62.54594  1   349 345 344    0.09360
 H       1.13207  1    107.95573  1     39.95592  1   345 344 342    0.11420
 H       1.00474  1    122.44712  1     10.94885  1   344 342 341    0.29630
 C       1.52224  1    114.20201  1    321.59363  1   341 340   3   -0.21750
 H       1.12001  1    111.33065  1     52.72971  1   364 341 340    0.11300
 H       1.11644  1    109.47659  1    173.54439  1   364 341 340    0.07150
 H       1.11680  1    110.00301  1    292.96509  1   364 341 340    0.08360
 H       1.13250  1    106.29572  1    202.06690  1   341 340   3    0.09910
 H       1.00678  1     41.06397  1     98.47227  1   340   3   2    0.18250
 H       1.00263  1    114.55939  1      9.61813  1   340   3   2    0.15100
 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   -0.06740
 C       1.52058  0    113.71970  0     78.47512  0   372 371   3    0.27560
 O       1.22780  0    120.16143  0    128.71132  0   373 372 371   -0.38680
 N       1.33334  0    119.06894  0    308.22080  0   373 372 371   -0.37050
 C       1.46344  0    122.73833  0    184.27316  0   375 373 372   -0.03650
 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   -0.31620
 H       1.11347  1    115.20119  1     61.77002  1   377 376 375    0.10150
 C       1.53750  1    112.92447  1    149.50926  1   376 375 373   -0.12530
 C       1.48624  1    112.98509  1    307.71178  1   380 376 375   -0.09300
 C       1.39958  1    120.76363  1    292.04123  1   381 380 376   -0.11630
 C       1.39499  1    120.46239  1    179.23398  1   382 381 380   -0.12320
 C       1.39545  1    119.77194  1      0.83530  1   383 382 381   -0.12800
 C       1.39509  1    120.18321  1    359.42947  1   384 383 382   -0.14150
 C       1.39387  1    119.94144  1      0.02971  1   385 384 383   -0.13640
 H       1.10052  1    119.84560  1    181.54778  1   386 385 384    0.11900
 H       1.10267  1    120.61175  1    181.33904  1   385 384 383    0.13420
 H       1.09995  1    119.70171  1    180.63517  1   384 383 382    0.12290
 H       1.10882  1    119.78029  1    182.84320  1   383 382 381    0.18740
 H       1.10051  1    119.94299  1      0.75614  1   382 381 380    0.13700
 H       1.12328  1    109.00618  1     70.81527  1   380 376 375    0.09890
 H       1.12270  1    107.19299  1    186.55333  1   380 376 375    0.09360
 H       1.13548  1    107.66916  1     29.27810  1   376 375 373    0.13900
 H       0.99651  1    121.42812  1    355.10314  1   375 373 372    0.24510
 C       1.54308  1    111.10352  1    314.68494  1   372 371   3   -0.08600
 C       1.47085  1    111.21093  1    190.20418  1   396 372 371   -0.12430
 N       1.39826  1    124.38087  1     69.05562  1   397 396 372   -0.18470
 C       1.39489  1    106.63650  1    182.79562  1   398 397 396   -0.09830
 N       1.35378  1    111.41487  1    358.00332  1   399 398 397   -0.17380
 C       1.38824  1    106.00713  1      1.11090  1   400 399 398   -0.19220
 H       1.09022  1    121.65773  1    179.85284  1   401 400 399    0.17500
 H       1.09618  1    123.33198  1    178.53789  1   399 398 397    0.20470
 H       0.99759  1    124.57475  1    351.26195  1   398 397 396    0.29310
 H       1.12658  1    108.41975  1    311.42527  1   396 372 371    0.11670
 H       1.12240  1    110.80327  1     69.49278  1   396 372 371    0.09010
 H       1.14205  1    107.33235  1    196.90279  1   372 371   3    0.19920
 H       0.99945  1     77.05454  1    174.95538  1   371   3   2    0.15320
 H       0.99834  1    136.05989  1     69.18204  1   371   3   2    0.14980
 H       4.54535  1     99.95957  1    342.15321  1     3   2   1    0.21060
 O       3.61947  0     99.16701  0    345.70505  0     3   2   1   -0.44170
 H       0.96613  1    103.76057  1    320.82358  1   411 410   3    0.22480

