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 H       1.12306  1    109.98293  1    341.14436  1   223 219 218    0.08600
 H       1.12305  1    109.87969  1     98.55809  1   223 219 218    0.09350
 H       1.13446  1    106.05738  1    206.80453  1   219 218   3    0.14190
 H       1.00140  1    110.58267  1     54.31884  1   218   3   2    0.15030
 H       1.00149  1     90.51767  1    304.07267  1   218   3   2    0.13190
 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   -0.31070
 H       1.10983  1    117.35582  1    309.63342  1   242 241 240    0.10230
 C       1.54647  1    114.43269  1    308.18593  1   241 240   3   -0.13170
 C       1.51432  1    110.52637  1    180.97394  1   245 241 240   -0.22150
 H       1.11815  1    110.82064  1     64.47064  1   246 245 241    0.11200
 H       1.11866  1    109.99545  1    184.74179  1   246 245 241    0.07420
 H       1.11808  1    110.89362  1    304.17435  1   246 245 241    0.08180
 C       1.51497  1    110.36709  1    302.56568  1   245 241 240   -0.22470
 H       1.11725  1    111.35673  1     69.92909  1   250 245 241    0.05000
 H       1.11799  1    110.03524  1    189.46241  1   250 245 241    0.08420
 H       1.11740  1    110.53238  1    308.92640  1   250 245 241    0.09480
 H       1.12912  1    108.37070  1     61.67750  1   245 241 240    0.09590
 H       1.13334  1    106.68506  1    189.20968  1   241 240   3    0.13980
 H       1.00186  1    121.61944  1     11.41754  1   240   3   2    0.14080
 H       1.00387  1     51.25524  1    282.43976  1   240   3   2    0.13610
 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    0.19510
 O       1.23337  0    122.18349  0    206.71515  0   260 259 258   -0.32800
 H       1.11278  1    116.41586  1     29.08164  1   260 259 258    0.09910
 C       1.53223  1    114.37570  1    323.27532  1   259 258   3   -0.20100
 C       1.52306  1    111.78245  1    280.78946  1   263 259 258   -0.10500
 C       1.51483  1    111.05156  1    154.62723  1   264 263 259   -0.21570
 H       1.11676  1    110.56519  1     63.93873  1   265 264 263    0.07010
 H       1.12102  1    109.51010  1    184.29157  1   265 264 263    0.11670
 H       1.11766  1    110.49204  1    303.55207  1   265 264 263    0.06380
 C       1.51587  1    110.93961  1    277.12846  1   264 263 259   -0.22340
 H       1.11647  1    110.67856  1     66.01852  1   269 264 263    0.05550
 H       1.11773  1    110.02796  1    186.21360  1   269 264 263    0.10090
 H       1.11888  1    110.80828  1    305.63152  1   269 264 263    0.08890
 H       1.12766  1    108.93672  1     36.68750  1   264 263 259    0.08410
 H       1.12381  1    109.73594  1     42.90870  1   263 259 258    0.09400
 H       1.12141  1    108.98028  1    160.06480  1   263 259 258    0.10900
 H       1.13642  1    106.67549  1    204.28952  1   259 258   3    0.12210
 H       1.00340  1    102.87319  1    292.59076  1   258   3   2    0.15790
 H       1.00448  1     29.98727  1    189.97340  1   258   3   2    0.15030
 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   -0.04040
 C       1.51781  0    114.00427  0    109.21645  0   280 279   3    0.27710
 O       1.24606  0    120.23596  0    130.28049  0   281 280 279   -0.40610
 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   -0.05200
 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   -0.27950
 H       1.11044  1    117.54265  1    334.50226  1   285 284 283    0.09730
 C       1.54125  1    107.57050  1    176.94757  1   284 283 281   -0.15950
 C       1.52392  1    106.42000  1      1.88238  1   288 284 283   -0.17230
 C       1.53794  1    106.71413  1      1.19084  1   289 288 284   -0.02690
 H       1.12626  1    108.72891  1    115.76895  1   290 289 288    0.06840
 H       1.12444  1    110.93382  1    235.23002  1   290 289 288    0.10470
 H       1.11779  1    110.97818  1    121.28701  1   289 288 284    0.08750
 H       1.11938  1    111.01306  1    241.22106  1   289 288 284    0.10730
 H       1.11830  1    110.84325  1    123.03860  1   288 284 283    0.09410
 H       1.12090  1    109.65741  1    241.93393  1   288 284 283    0.11880
 H       1.13339  1    108.85945  1     57.31650  1   284 283 281    0.15200
 C       1.53509  1    113.44508  1    340.95609  1   280 279   3   -0.08910
 C       1.47019  1    112.44430  1    311.86756  1   298 280 279   -0.14270
 C       1.39508  1    125.55258  1    119.11680  1   299 298 280   -0.08400
 N       1.39974  1    110.45900  1    181.55610  1   300 299 298   -0.21060
 C       1.40055  1    107.95525  1    356.61477  1   301 300 299   -0.00140
 C       1.44786  1    108.25092  1      3.15720  1   302 301 300   -0.05020
 C       1.39454  1    119.20565  1    178.50188  1   303 302 301   -0.06240
 C       1.38867  1    118.94409  1    359.68764  1   304 303 302   -0.16680
 C       1.40428  1    121.45925  1      0.12673  1   305 304 303   -0.12160
 C       1.38744  1    121.51041  1      0.00000  1   306 305 304   -0.16190
 H       1.09704  1    121.20340  1    179.73082  1   307 306 305    0.11970
 H       1.09966  1    119.09499  1    179.59744  1   306 305 304    0.11500
 H       1.09964  1    119.46881  1    179.50936  1   305 304 303    0.12630
 H       1.10104  1    120.37748  1    178.80275  1   304 303 302    0.15010
 H       0.98567  1    123.96551  1    197.93993  1   301 300 299    0.24070
 H       1.09632  1    129.53442  1      1.19933  1   300 299 298    0.18780
 H       1.12342  1    110.33391  1     74.50933  1   298 280 279    0.08430
 H       1.12542  1    107.45242  1    191.37017  1   298 280 279    0.12500
 H       1.13633  1    104.82168  1    224.16696  1   280 279   3    0.14270
 H       1.00035  1     51.96579  1    227.07580  1   279   3   2    0.14450
 H       0.99965  1    141.43948  1    154.25818  1   279   3   2    0.13910
 N      11.52547  0     55.38112  0    264.52042  0     3   2   1   -0.34090
 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    0.20660
 O       1.23737  0    120.84914  0    314.34911  0   321 320 319   -0.30630
 H       1.10832  1    116.32428  1    134.85364  1   321 320 319    0.09190
 C       1.54656  1    116.76832  1     51.15957  1   320 319   3   -0.13950
 C       1.52210  1    110.57652  1    296.09440  1   324 320 319   -0.16140
 C       1.50747  1    112.32645  1    169.24970  1   325 324 320   -0.21830
 H       1.11712  1    111.18339  1     64.91519  1   326 325 324    0.07800
 H       1.11878  1    110.05615  1    184.40710  1   326 325 324    0.09050
 H       1.11729  1    110.80538  1    304.30092  1   326 325 324    0.06880
 H       1.12392  1    109.28329  1    291.11501  1   325 324 320    0.08970
 H       1.12400  1    110.00411  1     48.65997  1   325 324 320    0.07900
 C       1.51526  1    109.35798  1    174.05620  1   324 320 319   -0.22130
 H       1.11778  1    110.65363  1     56.33781  1   332 324 320    0.07970
 H       1.11699  1    110.26480  1    176.01648  1   332 324 320    0.08810
 H       1.11738  1    110.74620  1    295.46539  1   332 324 320    0.07010
 H       1.12629  1    108.45200  1     55.26243  1   324 320 319    0.10720
 H       1.13360  1    105.92094  1    292.17754  1   320 319   3    0.10790
 H       1.00349  1     18.54199  1    318.66202  1   319   3   2    0.16480
 H       1.00321  1    108.74662  1    225.13232  1   319   3   2    0.15760
 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   -0.04800
 C       1.51854  0    109.42956  0     87.30937  0   341 340   3    0.27150
 O       1.22712  0    121.44309  0    110.88918  0   342 341 340   -0.42540
 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   -0.02480
 C       1.52566  0    113.35886  0    280.16963  0   345 344 342    0.18560
 O       1.22406  0    121.51706  0    139.04305  0   346 345 344   -0.31970
 H       1.11428  1    115.59558  1    318.77657  1   346 345 344    0.12000
 C       1.54057  1    110.48742  1    159.27083  1   345 344 342   -0.17450
 C       1.52064  1    113.01587  1    185.45130  1   349 345 344   -0.10380
 C       1.51430  1    111.29039  1     76.43700  1   350 349 345   -0.20490
 H       1.11703  1    110.62733  1     59.52353  1   351 350 349    0.07460
 H       1.11655  1    110.21534  1    179.37124  1   351 350 349    0.06290
 H       1.11661  1    110.53599  1    299.28047  1   351 350 349    0.07710
 C       1.51601  1    109.82360  1    198.63379  1   350 349 345   -0.21920
 H       1.11747  1    110.74862  1     56.65831  1   355 350 349    0.06940
 H       1.11741  1    109.90464  1    176.28500  1   355 350 349    0.06310
 H       1.11739  1    110.79905  1    296.34918  1   355 350 349    0.09820
 H       1.12780  1    108.98321  1    317.15522  1   350 349 345    0.09170
 H       1.12267  1    109.16557  1    306.86328  1   349 345 344    0.10040
 H       1.12347  1    108.76519  1     63.27681  1   349 345 344    0.09310
 H       1.13240  1    107.89457  1     39.79891  1   345 344 342    0.11420
 H       1.00467  1    122.45146  1     11.04394  1   344 342 341    0.29600
 C       1.52224  1    114.20754  1    321.59581  1   341 340   3   -0.21740
 H       1.12001  1    111.32812  1     52.71988  1   364 341 340    0.11290
 H       1.11645  1    109.47466  1    173.53174  1   364 341 340    0.07150
 H       1.11680  1    110.00572  1    292.95197  1   364 341 340    0.08370
 H       1.13250  1    106.29476  1    202.06539  1   341 340   3    0.09910
 H       1.00675  1     41.09634  1     98.55467  1   340   3   2    0.18270
 H       1.00263  1    114.47661  1      9.62910  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   -0.06700
 C       1.52058  0    113.71970  0     78.47512  0   372 371   3    0.27420
 O       1.22780  0    120.16143  0    128.71132  0   373 372 371   -0.38620
 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   -0.03640
 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       1.11348  1    115.20010  1     61.75557  1   377 376 375    0.10170
 C       1.53687  1    112.75903  1    149.47566  1   376 375 373   -0.12550
 C       1.48599  1    113.08559  1    307.46752  1   380 376 375   -0.09140
 C       1.39963  1    120.63562  1    291.18978  1   381 380 376   -0.11700
 C       1.39474  1    120.42885  1    179.03886  1   382 381 380   -0.12370
 C       1.39556  1    119.81171  1      0.71314  1   383 382 381   -0.12600
 C       1.39492  1    120.17853  1    359.41817  1   384 383 382   -0.14080
 C       1.39407  1    119.93244  1      0.07102  1   385 384 383   -0.13980
 H       1.10044  1    119.82990  1    181.52816  1   386 385 384    0.12060
 H       1.10259  1    120.26637  1    181.91488  1   385 384 383    0.13480
 H       1.09995  1    119.68869  1    180.59198  1   384 383 382    0.12250
 H       1.10876  1    119.77803  1    182.57561  1   383 382 381    0.18660
 H       1.10058  1    119.91913  1      0.67957  1   382 381 380    0.13660
 H       1.12319  1    109.04070  1     70.77632  1   380 376 375    0.09880
 H       1.12317  1    107.06468  1    186.34600  1   380 376 375    0.09320
 H       1.13535  1    107.69357  1     29.34555  1   376 375 373    0.13910
 H       0.99648  1    121.42935  1    355.07495  1   375 373 372    0.24510
 C       1.54293  1    111.19184  1    314.62263  1   372 371   3   -0.08600
 C       1.47081  1    111.12568  1    190.47496  1   396 372 371   -0.12410
 N       1.39820  1    124.39804  1     69.34159  1   397 396 372   -0.18470
 C       1.39485  1    106.63440  1    182.90452  1   398 397 396   -0.09830
 N       1.35375  1    111.41422  1    358.01983  1   399 398 397   -0.17320
 C       1.38845  1    106.00792  1      1.16457  1   400 399 398   -0.19170
 H       1.09038  1    121.65903  1    179.71194  1   401 400 399    0.17520
 H       1.09611  1    123.32580  1    178.51579  1   399 398 397    0.20400
 H       0.99753  1    124.57398  1    351.35077  1   398 397 396    0.29300
 H       1.12663  1    108.43215  1    311.71503  1   396 372 371    0.11660
 H       1.12241  1    110.82225  1     69.72655  1   396 372 371    0.09020
 H       1.14219  1    107.28915  1    196.84153  1   372 371   3    0.19900
 H       0.99944  1     77.05108  1    174.98961  1   371   3   2    0.15310
 H       0.99833  1    136.05221  1     69.21300  1   371   3   2    0.14990
 H       4.54056  1    100.02105  1    341.86707  1     3   2   1    0.21120
 O       3.61947  0     99.16701  0    345.70505  0     3   2   1   -0.44280
 H       0.96612  1    103.74034  1    321.04857  1   411 410   3    0.22480

