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 H       1.12310  1    110.13327  1    341.85424  1   223 219 218    0.08580
 H       1.12277  1    110.01351  1     99.54444  1   223 219 218    0.09270
 H       1.13367  1    106.19474  1    207.29718  1   219 218   3    0.14370
 H       1.00119  1    109.76965  1     52.15332  1   218   3   2    0.15060
 H       1.00145  1     90.92377  1    301.77852  1   218   3   2    0.13300
 N       9.32589  0    148.49850  0    217.13966  0     3   2   1   -0.32150
 C       1.47774  0     57.95963  0    104.42399  0   240   3   2   -0.11410
 C       1.51432  0    111.43394  0     71.58897  0   241 240   3    0.21460
 O       1.23796  0    120.10755  0    131.27173  0   242 241 240   -0.31100
 H       1.10980  1    117.35109  1    309.44064  1   242 241 240    0.10260
 C       1.54635  1    114.38830  1    308.25262  1   241 240   3   -0.13200
 C       1.51437  1    110.57538  1    180.84991  1   245 241 240   -0.22100
 H       1.11807  1    110.81915  1     65.10821  1   246 245 241    0.11160
 H       1.11874  1    110.02942  1    185.37719  1   246 245 241    0.07350
 H       1.11794  1    110.96054  1    304.67297  1   246 245 241    0.08220
 C       1.51506  1    110.31474  1    302.49225  1   245 241 240   -0.22500
 H       1.11726  1    111.33925  1     70.47117  1   250 245 241    0.05040
 H       1.11797  1    110.04254  1    189.92711  1   250 245 241    0.08440
 H       1.11740  1    110.55760  1    309.49433  1   250 245 241    0.09470
 H       1.12888  1    108.32141  1     61.60041  1   245 241 240    0.09590
 H       1.13338  1    106.67775  1    189.18562  1   241 240   3    0.13980
 H       1.00189  1    121.68772  1     11.46832  1   240   3   2    0.14070
 H       1.00381  1     51.27015  1    282.61626  1   240   3   2    0.13590
 N      10.70920  0    161.02234  0    300.98350  0     3   2   1   -0.33850
 C       1.47447  0     83.51123  0     40.16297  0   258   3   2   -0.09770
 C       1.51972  0    110.88294  0     91.41287  0   259 258   3    0.19610
 O       1.23337  0    122.18349  0    206.71515  0   260 259 258   -0.32910
 H       1.11277  1    116.40318  1     29.20398  1   260 259 258    0.09930
 C       1.53179  1    114.40754  1    323.14275  1   259 258   3   -0.19730
 C       1.52323  1    111.70349  1    280.83298  1   263 259 258   -0.10490
 C       1.51494  1    111.07119  1    154.54716  1   264 263 259   -0.21900
 H       1.11676  1    110.53961  1     64.11709  1   265 264 263    0.07160
 H       1.12107  1    109.51046  1    184.42684  1   265 264 263    0.11730
 H       1.11762  1    110.51842  1    303.73128  1   265 264 263    0.06430
 C       1.51590  1    110.96509  1    277.06480  1   264 263 259   -0.22360
 H       1.11634  1    110.70895  1     65.57417  1   269 264 263    0.05540
 H       1.11781  1    109.99803  1    185.79791  1   269 264 263    0.10110
 H       1.11891  1    110.79704  1    305.21906  1   269 264 263    0.08930
 H       1.12766  1    108.88538  1     36.57985  1   264 263 259    0.08330
 H       1.12370  1    109.79492  1     42.95003  1   263 259 258    0.09340
 H       1.12135  1    108.95075  1    160.12210  1   263 259 258    0.10860
 H       1.13662  1    106.89291  1    204.10285  1   259 258   3    0.12010
 H       1.00195  1    108.63485  1    292.44361  1   258   3   2    0.15530
 H       1.00297  1     28.04806  1    199.67302  1   258   3   2    0.15630
 N       8.36458  0     47.62805  0    220.21231  0     3   2   1   -0.33180
 C       1.47835  0     61.24542  0     67.22159  0   279   3   2   -0.04110
 C       1.51781  0    114.00427  0    109.21645  0   280 279   3    0.27590
 O       1.24606  0    120.23596  0    130.28049  0   281 280 279   -0.40630
 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   -0.05240
 C       1.52311  0    110.76539  0    298.61277  0   284 283 281    0.18560
 O       1.22828  0    119.95573  0    154.36018  0   285 284 283   -0.27880
 H       1.11042  1    117.53402  1    334.60734  1   285 284 283    0.09730
 C       1.53894  1    107.57960  1    176.92861  1   284 283 281   -0.15990
 C       1.52381  1    106.41907  1      2.11709  1   288 284 283   -0.17380
 C       1.53798  1    106.71058  1      1.10173  1   289 288 284   -0.02400
 H       1.12641  1    108.75852  1    115.63486  1   290 289 288    0.06750
 H       1.12419  1    111.00080  1    235.15499  1   290 289 288    0.10350
 H       1.11789  1    110.96667  1    121.17501  1   289 288 284    0.08780
 H       1.11973  1    110.92895  1    241.15847  1   289 288 284    0.10820
 H       1.11805  1    110.90313  1    123.43214  1   288 284 283    0.09480
 H       1.12078  1    109.63565  1    242.41104  1   288 284 283    0.11810
 H       1.13356  1    108.85506  1     57.35583  1   284 283 281    0.15190
 C       1.53472  1    113.50095  1    340.86155  1   280 279   3   -0.08740
 C       1.46995  1    112.34906  1    309.92432  1   298 280 279   -0.14560
 C       1.39391  1    125.73246  1    118.89659  1   299 298 280   -0.07900
 N       1.39962  1    110.46806  1    181.34447  1   300 299 298   -0.21090
 C       1.40064  1    107.98336  1    356.50815  1   301 300 299   -0.00280
 C       1.44748  1    108.19362  1      3.18051  1   302 301 300   -0.04820
 C       1.39455  1    119.23270  1    178.40154  1   303 302 301   -0.07090
 C       1.38934  1    118.91680  1    359.47583  1   304 303 302   -0.16290
 C       1.40431  1    121.45168  1      0.03667  1   305 304 303   -0.12050
 C       1.38747  1    121.49297  1      0.11106  1   306 305 304   -0.15930
 H       1.09703  1    121.14290  1    179.62591  1   307 306 305    0.11900
 H       1.09960  1    119.09666  1    179.65113  1   306 305 304    0.11470
 H       1.09964  1    119.46043  1    179.41765  1   305 304 303    0.12750
 H       1.10072  1    120.40872  1    178.80245  1   304 303 302    0.15090
 H       0.98565  1    123.94851  1    197.89516  1   301 300 299    0.24060
 H       1.09620  1    129.54273  1      0.87105  1   300 299 298    0.18700
 H       1.12328  1    110.37690  1     72.62174  1   298 280 279    0.08370
 H       1.12563  1    107.54578  1    189.46776  1   298 280 279    0.12300
 H       1.13652  1    104.76969  1    224.10412  1   280 279   3    0.14320
 H       1.00050  1     52.25754  1    226.02109  1   279   3   2    0.14390
 H       0.99992  1    142.17445  1    153.62788  1   279   3   2    0.13930
 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   -0.09540
 C       1.52047  0    110.87988  0    175.78694  0   320 319   3    0.20720
 O       1.23737  0    120.84914  0    314.34911  0   321 320 319   -0.30620
 H       1.10829  1    116.30904  1    134.74367  1   321 320 319    0.09220
 C       1.54663  1    116.48457  1     50.88737  1   320 319   3   -0.13880
 C       1.52286  1    110.56829  1    295.89040  1   324 320 319   -0.16250
 C       1.50766  1    112.38379  1    167.07465  1   325 324 320   -0.21660
 H       1.11715  1    111.15035  1     64.26139  1   326 325 324    0.07940
 H       1.11891  1    110.01860  1    183.85859  1   326 325 324    0.08720
 H       1.11721  1    110.84872  1    303.71214  1   326 325 324    0.06840
 H       1.12418  1    109.24051  1    288.89876  1   325 324 320    0.09260
 H       1.12388  1    110.12719  1     46.47880  1   325 324 320    0.07800
 C       1.51504  1    109.46131  1    173.82320  1   324 320 319   -0.21960
 H       1.11768  1    110.66901  1     56.22825  1   332 324 320    0.08030
 H       1.11705  1    110.22728  1    175.90671  1   332 324 320    0.08800
 H       1.11737  1    110.73176  1    295.41393  1   332 324 320    0.06850
 H       1.12642  1    108.37112  1     55.09790  1   324 320 319    0.10690
 H       1.13375  1    105.96651  1    292.12165  1   320 319   3    0.10840
 H       1.00329  1     18.94185  1    320.46104  1   319   3   2    0.16450
 H       1.00304  1    108.09683  1    225.08755  1   319   3   2    0.15790
 N      13.81645  0    117.46542  0    317.45664  0     3   2   1   -0.35110
 C       1.46975  0     69.59418  0    265.79365  0   340   3   2   -0.04760
 C       1.51854  0    109.42956  0     87.30937  0   341 340   3    0.27190
 O       1.22712  0    121.44309  0    110.88918  0   342 341 340   -0.42690
 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   -0.02370
 C       1.52566  0    113.35886  0    280.16963  0   345 344 342    0.18570
 O       1.22406  0    121.51706  0    139.04305  0   346 345 344   -0.31970
 H       1.11419  1    115.60231  1    318.89081  1   346 345 344    0.11950
 C       1.54156  1    109.94544  1    159.65115  1   345 344 342   -0.17410
 C       1.51980  1    113.60725  1    181.37742  1   349 345 344   -0.10360
 C       1.51423  1    111.34787  1     74.97515  1   350 349 345   -0.20980
 H       1.11685  1    110.64792  1     59.26712  1   351 350 349    0.07960
 H       1.11666  1    110.15782  1    179.13820  1   351 350 349    0.06140
 H       1.11662  1    110.45534  1    298.97649  1   351 350 349    0.07830
 C       1.51632  1    109.56784  1    197.30979  1   350 349 345   -0.21830
 H       1.11789  1    110.75342  1     56.14041  1   355 350 349    0.06960
 H       1.11727  1    109.97847  1    175.77488  1   355 350 349    0.06240
 H       1.11745  1    110.81796  1    295.92479  1   355 350 349    0.10010
 H       1.12773  1    109.05161  1    315.72333  1   350 349 345    0.08900
 H       1.12282  1    108.95777  1    303.14301  1   349 345 344    0.09920
 H       1.12398  1    108.70702  1     59.72731  1   349 345 344    0.09430
 H       1.13171  1    108.10473  1     40.12539  1   345 344 342    0.11400
 H       1.00493  1    122.45023  1     10.74517  1   344 342 341    0.29690
 C       1.52215  1    114.20588  1    321.59401  1   341 340   3   -0.21780
 H       1.12011  1    111.31543  1     52.80790  1   364 341 340    0.11350
 H       1.11644  1    109.47929  1    173.63285  1   364 341 340    0.07160
 H       1.11677  1    110.00449  1    293.05939  1   364 341 340    0.08330
 H       1.13254  1    106.27812  1    202.05930  1   341 340   3    0.09890
 H       1.00700  1     41.04253  1     98.78887  1   340   3   2    0.18240
 H       1.00275  1    114.32314  1      9.70664  1   340   3   2    0.15250
 N      10.80169  0    132.34688  0    329.70543  0     3   2   1   -0.34810
 C       1.44351  0     37.18078  0     10.67837  0   371   3   2   -0.06540
 C       1.52058  0    113.71970  0     78.47512  0   372 371   3    0.27310
 O       1.22780  0    120.16143  0    128.71132  0   373 372 371   -0.38600
 N       1.33334  0    119.06894  0    308.22080  0   373 372 371   -0.37000
 C       1.46344  0    122.73833  0    184.27316  0   375 373 372   -0.03680
 C       1.51251  0    109.68839  0    272.90895  0   376 375 373    0.18780
 O       1.22625  0    122.47880  0    241.57476  0   377 376 375   -0.31650
 H       1.11347  1    115.20109  1     61.73919  1   377 376 375    0.10160
 C       1.53689  1    112.90002  1    149.24649  1   376 375 373   -0.12560
 C       1.48627  1    112.85233  1    307.96575  1   380 376 375   -0.09070
 C       1.39991  1    120.43281  1    288.65296  1   381 380 376   -0.11780
 C       1.39485  1    120.47675  1    179.06541  1   382 381 380   -0.12170
 C       1.39600  1    119.75495  1      0.79942  1   383 382 381   -0.12980
 C       1.39522  1    120.17475  1    359.51798  1   384 383 382   -0.13910
 C       1.39427  1    119.93343  1      0.29472  1   385 384 383   -0.13990
 H       1.10059  1    119.86101  1    181.75923  1   386 385 384    0.12100
 H       1.10266  1    120.24227  1    181.14472  1   385 384 383    0.13540
 H       1.09989  1    119.68435  1    180.77379  1   384 383 382    0.12320
 H       1.10864  1    119.81706  1    183.19716  1   383 382 381    0.18650
 H       1.10049  1    119.88964  1      0.71473  1   382 381 380    0.13540
 H       1.12306  1    109.06605  1     71.12521  1   380 376 375    0.09930
 H       1.12279  1    107.12625  1    186.83326  1   380 376 375    0.09310
 H       1.13565  1    107.63578  1     29.23512  1   376 375 373    0.13900
 H       0.99660  1    121.42665  1    354.85726  1   375 373 372    0.24560
 C       1.54346  1    111.19807  1    314.72830  1   372 371   3   -0.08630
 C       1.47061  1    111.50785  1    189.68468  1   396 372 371   -0.12500
 N       1.39805  1    124.51940  1     68.26375  1   397 396 372   -0.18490
 C       1.39473  1    106.61081  1    181.88669  1   398 397 396   -0.09770
 N       1.35368  1    111.49704  1    358.09761  1   399 398 397   -0.17310
 C       1.38885  1    105.91332  1      1.08112  1   400 399 398   -0.19280
 H       1.09028  1    121.64054  1    179.71857  1   401 400 399    0.17460
 H       1.09663  1    123.32474  1    178.67335  1   399 398 397    0.20590
 H       0.99755  1    124.59702  1    351.16755  1   398 397 396    0.29340
 H       1.12682  1    108.35629  1    310.90540  1   396 372 371    0.11710
 H       1.12262  1    110.76206  1     68.89452  1   396 372 371    0.08960
 H       1.14188  1    107.35100  1    196.90871  1   372 371   3    0.19780
 H       0.99943  1     77.08500  1    174.82251  1   371   3   2    0.15320
 H       0.99834  1    136.10429  1     69.03784  1   371   3   2    0.14980
 H       4.55088  1     99.91119  1    342.43299  1     3   2   1    0.21030
 O       3.61947  0     99.16701  0    345.70505  0     3   2   1   -0.44220
 H       0.96650  1    103.60781  1    320.46187  1   411 410   3    0.22550

