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 H       1.12364  1    109.81495  1    339.32689  1   223 219 218    0.08430
 H       1.12279  1    109.93966  1     96.62159  1   223 219 218    0.09510
 H       1.13402  1    106.43248  1    207.02233  1   219 218   3    0.13830
 H       1.00149  1    111.65606  1     57.54988  1   218   3   2    0.14920
 H       1.00160  1     89.99233  1    307.60709  1   218   3   2    0.13100
 N       9.32589  0    148.49850  0    217.13966  0     3   2   1   -0.32360
 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    0.21680
 O       1.23796  0    120.10755  0    131.27173  0   242 241 240   -0.31830
 H       1.10988  1    117.35875  1    309.54406  1   242 241 240    0.10240
 C       1.54683  1    114.51033  1    308.50727  1   241 240   3   -0.13250
 C       1.51427  1    110.31208  1    180.89691  1   245 241 240   -0.22140
 H       1.11826  1    110.79499  1     61.33729  1   246 245 241    0.10940
 H       1.11790  1    110.12818  1    181.52957  1   246 245 241    0.08090
 H       1.11810  1    110.76234  1    301.06539  1   246 245 241    0.07650
 C       1.51468  1    110.47934  1    302.44903  1   245 241 240   -0.22400
 H       1.11721  1    111.38923  1     68.60953  1   250 245 241    0.05040
 H       1.11828  1    109.93363  1    187.97004  1   250 245 241    0.08680
 H       1.11721  1    110.57279  1    307.50193  1   250 245 241    0.09370
 H       1.12867  1    108.35585  1     61.58161  1   245 241 240    0.10210
 H       1.13299  1    106.68898  1    189.33269  1   241 240   3    0.13780
 H       1.00191  1    121.15017  1     11.21265  1   240   3   2    0.14130
 H       1.00407  1     51.21712  1    281.95353  1   240   3   2    0.13820
 N      10.70920  0    161.02234  0    300.98350  0     3   2   1   -0.33130
 C       1.47447  0     83.51123  0     40.16297  0   258   3   2   -0.10120
 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   -0.33250
 H       1.11287  1    116.45830  1     28.97517  1   260 259 258    0.09990
 C       1.53281  1    114.28754  1    323.30977  1   259 258   3   -0.19790
 C       1.52311  1    111.61358  1    279.88818  1   263 259 258   -0.10850
 C       1.51475  1    111.22370  1    153.74057  1   264 263 259   -0.21900
 H       1.11645  1    110.64528  1     66.22075  1   265 264 263    0.06670
 H       1.12196  1    109.44989  1    186.64795  1   265 264 263    0.12420
 H       1.11777  1    110.52867  1    305.77084  1   265 264 263    0.06660
 C       1.51580  1    110.91251  1    276.48661  1   264 263 259   -0.22410
 H       1.11653  1    110.66721  1     67.52465  1   269 264 263    0.05630
 H       1.11775  1    110.04368  1    187.79740  1   269 264 263    0.10210
 H       1.11874  1    110.89731  1    307.18275  1   269 264 263    0.08670
 H       1.12784  1    108.80658  1     35.95361  1   264 263 259    0.08750
 H       1.12387  1    109.67936  1     41.79815  1   263 259 258    0.09370
 H       1.12130  1    109.17709  1    158.93068  1   263 259 258    0.10410
 H       1.13623  1    106.55306  1    204.39045  1   259 258   3    0.12330
 H       1.00350  1     99.89881  1    292.41283  1   258   3   2    0.16070
 H       1.00426  1     31.55445  1    185.33660  1   258   3   2    0.14800
 N       8.36458  0     47.62805  0    220.21231  0     3   2   1   -0.33420
 C       1.47835  0     61.24542  0     67.22159  0   279   3   2   -0.03720
 C       1.51781  0    114.00427  0    109.21645  0   280 279   3    0.28510
 O       1.24606  0    120.23596  0    130.28049  0   281 280 279   -0.42880
 N       1.33720  0    121.52500  0    307.87372  0   281 280 279   -0.29090
 C       1.46123  0    119.81866  0    181.42204  0   283 281 280   -0.04740
 C       1.52311  0    110.76539  0    298.61277  0   284 283 281    0.18650
 O       1.22828  0    119.95573  0    154.36018  0   285 284 283   -0.29200
 H       1.11087  1    117.73720  1    334.52703  1   285 284 283    0.08950
 C       1.54079  1    107.60428  1    176.90078  1   284 283 281   -0.15150
 C       1.52381  1    106.38054  1    358.55539  1   288 284 283   -0.17220
 C       1.53734  1    106.78265  1      3.02131  1   289 288 284   -0.02150
 H       1.12629  1    108.98272  1    116.12062  1   290 289 288    0.05620
 H       1.12395  1    110.55756  1    235.91515  1   290 289 288    0.11520
 H       1.11728  1    111.13440  1    123.41626  1   289 288 284    0.07670
 H       1.12016  1    110.71830  1    243.82814  1   289 288 284    0.11860
 H       1.11797  1    111.00753  1    119.72652  1   288 284 283    0.07870
 H       1.12115  1    109.31655  1    239.00796  1   288 284 283    0.12610
 H       1.13626  1    108.40993  1     58.07496  1   284 283 281    0.17250
 C       1.53588  1    113.90134  1    341.54332  1   280 279   3   -0.10860
 C       1.46904  1    113.03944  1    318.24482  1   298 280 279   -0.13050
 C       1.39468  1    125.88059  1    114.96829  1   299 298 280   -0.08200
 N       1.40118  1    110.43627  1    182.24624  1   300 299 298   -0.21050
 C       1.40029  1    107.95277  1    355.94176  1   301 300 299   -0.00430
 C       1.44815  1    108.18135  1      3.72803  1   302 301 300   -0.06120
 C       1.39410  1    119.31773  1    178.04232  1   303 302 301   -0.06000
 C       1.38884  1    118.97474  1      0.18578  1   304 303 302   -0.17100
 C       1.40425  1    121.35603  1    359.81298  1   305 304 303   -0.12390
 C       1.38793  1    121.55852  1    359.81714  1   306 305 304   -0.16110
 H       1.09709  1    121.16774  1    180.17204  1   307 306 305    0.11980
 H       1.09962  1    119.08106  1    179.65005  1   306 305 304    0.11460
 H       1.09943  1    119.56332  1    179.42928  1   305 304 303    0.12360
 H       1.10037  1    120.09035  1    179.79745  1   304 303 302    0.14500
 H       0.98581  1    123.83258  1    197.88822  1   301 300 299    0.23980
 H       1.09681  1    129.40748  1      1.42511  1   300 299 298    0.18780
 H       1.12460  1    110.48230  1     81.93798  1   298 280 279    0.11700
 H       1.12583  1    107.32570  1    197.64284  1   298 280 279    0.11770
 H       1.13532  1    104.62397  1    224.25987  1   280 279   3    0.12900
 H       1.00121  1     50.53208  1    231.74792  1   279   3   2    0.14590
 H       1.00024  1    137.16661  1    156.64429  1   279   3   2    0.13760
 N      11.52547  0     55.38112  0    264.52042  0     3   2   1   -0.34710
 C       1.46046  0     93.60450  0    112.55228  0   319   3   2   -0.09270
 C       1.52047  0    110.87988  0    175.78694  0   320 319   3    0.20540
 O       1.23737  0    120.84914  0    314.34911  0   321 320 319   -0.30440
 H       1.10829  1    116.35267  1    135.07390  1   321 320 319    0.08800
 C       1.54708  1    115.46368  1     49.83032  1   320 319   3   -0.14020
 C       1.52484  1    109.98921  1    295.69700  1   324 320 319   -0.16200
 C       1.50718  1    113.14111  1    167.43013  1   325 324 320   -0.22870
 H       1.11659  1    111.09899  1     71.88510  1   326 325 324    0.06410
 H       1.12321  1    109.95954  1    191.79039  1   326 325 324    0.12640
 H       1.11748  1    110.77715  1    311.03561  1   326 325 324    0.06690
 H       1.12356  1    109.17790  1    289.71309  1   325 324 320    0.08230
 H       1.12433  1    110.22675  1     47.08006  1   325 324 320    0.08900
 C       1.51339  1    110.06337  1    173.35665  1   324 320 319   -0.21720
 H       1.11747  1    110.79007  1     57.56128  1   332 324 320    0.07280
 H       1.11834  1    109.96906  1    177.33032  1   332 324 320    0.08880
 H       1.11751  1    110.75025  1    296.76217  1   332 324 320    0.06490
 H       1.12671  1    108.37080  1     54.42255  1   324 320 319    0.10940
 H       1.13410  1    105.90785  1    291.80814  1   320 319   3    0.10210
 H       1.00365  1     19.01390  1    319.92147  1   319   3   2    0.16910
 H       1.00326  1    108.26408  1    225.01648  1   319   3   2    0.16030
 N      13.81645  0    117.46542  0    317.45664  0     3   2   1   -0.35050
 C       1.46975  0     69.59418  0    265.79365  0   340   3   2   -0.04840
 C       1.51854  0    109.42956  0     87.30937  0   341 340   3    0.27440
 O       1.22712  0    121.44309  0    110.88918  0   342 341 340   -0.41860
 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   -0.02860
 C       1.52566  0    113.35886  0    280.16963  0   345 344 342    0.18170
 O       1.22406  0    121.51706  0    139.04305  0   346 345 344   -0.31660
 H       1.11455  1    115.53155  1    318.84150  1   346 345 344    0.12150
 C       1.53857  1    112.09581  1    158.28600  1   345 344 342   -0.16800
 C       1.52257  1    111.31977  1    199.93646  1   349 345 344   -0.11480
 C       1.51490  1    111.11767  1     80.67226  1   350 349 345   -0.21000
 H       1.11701  1    110.66267  1     61.98228  1   351 350 349    0.07980
 H       1.11651  1    110.22334  1    181.90503  1   351 350 349    0.07240
 H       1.11704  1    110.65832  1    301.83789  1   351 350 349    0.07610
 C       1.51507  1    110.31369  1    202.92636  1   350 349 345   -0.21050
 H       1.11686  1    110.77976  1     61.34543  1   355 350 349    0.06420
 H       1.11744  1    109.93485  1    181.10488  1   355 350 349    0.06810
 H       1.11717  1    110.57670  1    300.92466  1   355 350 349    0.08420
 H       1.12874  1    108.45406  1    321.61233  1   350 349 345    0.09950
 H       1.12246  1    110.14913  1    321.18693  1   349 345 344    0.09920
 H       1.12214  1    109.01885  1     78.46736  1   349 345 344    0.08610
 H       1.13453  1    107.17171  1     38.84811  1   345 344 342    0.11910
 H       1.00366  1    122.29628  1     12.41413  1   344 342 341    0.29130
 C       1.52229  1    114.50022  1    321.47447  1   341 340   3   -0.21710
 H       1.11974  1    111.31560  1     52.89583  1   364 341 340    0.10710
 H       1.11653  1    109.50851  1    173.71281  1   364 341 340    0.07450
 H       1.11688  1    110.02989  1    293.13709  1   364 341 340    0.08450
 H       1.13279  1    106.16105  1    201.96266  1   341 340   3    0.10160
 H       1.00629  1     42.59213  1    106.25950  1   340   3   2    0.17960
 H       1.00269  1    109.47328  1     11.35058  1   340   3   2    0.15270
 N      10.80169  0    132.34688  0    329.70543  0     3   2   1   -0.34780
 C       1.44351  0     37.18078  0     10.67837  0   371   3   2   -0.06050
 C       1.52058  0    113.71970  0     78.47512  0   372 371   3    0.26750
 O       1.22780  0    120.16143  0    128.71132  0   373 372 371   -0.38780
 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   -0.03450
 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   -0.31300
 H       1.11342  1    115.18451  1     61.77495  1   377 376 375    0.10140
 C       1.53697  1    112.71661  1    149.10044  1   376 375 373   -0.12600
 C       1.48655  1    112.65997  1    308.51776  1   380 376 375   -0.09210
 C       1.39978  1    120.55603  1    287.50258  1   381 380 376   -0.11950
 C       1.39430  1    120.39335  1    179.29637  1   382 381 380   -0.13460
 C       1.39556  1    119.92770  1      0.82873  1   383 382 381   -0.12170
 C       1.39480  1    120.06255  1    359.46605  1   384 383 382   -0.13590
 C       1.39434  1    119.94727  1    359.81620  1   385 384 383   -0.13590
 H       1.10097  1    119.82776  1    181.76964  1   386 385 384    0.12230
 H       1.10324  1    120.12550  1    180.74362  1   385 384 383    0.14190
 H       1.10073  1    119.75149  1    180.41472  1   384 383 382    0.13390
 H       1.10634  1    119.97730  1    181.71928  1   383 382 381    0.17080
 H       1.10030  1    119.83619  1      0.46952  1   382 381 380    0.13210
 H       1.12321  1    109.06246  1     71.45329  1   380 376 375    0.10130
 H       1.12252  1    107.23449  1    187.26549  1   380 376 375    0.09440
 H       1.13532  1    107.66887  1     29.17338  1   376 375 373    0.13450
 H       0.99686  1    121.45853  1    355.52231  1   375 373 372    0.24720
 C       1.54410  1    111.52886  1    314.77826  1   372 371   3   -0.09270
 C       1.47254  1    110.92319  1    193.76261  1   396 372 371   -0.10520
 N       1.39748  1    123.89254  1     69.96267  1   397 396 372   -0.17540
 C       1.39324  1    106.72748  1    182.53672  1   398 397 396   -0.10740
 N       1.35438  1    111.43961  1    357.73376  1   399 398 397   -0.19300
 C       1.38969  1    105.93936  1      1.16138  1   400 399 398   -0.19220
 H       1.09055  1    122.11606  1    180.74320  1   401 400 399    0.17280
 H       1.09508  1    122.89432  1    178.22504  1   399 398 397    0.19510
 H       0.99884  1    124.68768  1    350.89963  1   398 397 396    0.29700
 H       1.12687  1    108.64162  1    314.70769  1   396 372 371    0.12160
 H       1.12212  1    110.92659  1     72.79929  1   396 372 371    0.09460
 H       1.14217  1    107.03355  1    196.69443  1   372 371   3    0.19720
 H       0.99943  1     77.05799  1    175.52846  1   371   3   2    0.15520
 H       0.99822  1    135.91237  1     69.58991  1   371   3   2    0.15140
 H       4.39552  1    104.80305  1    339.60578  1     3   2   1    0.20960
 O       3.61947  0     99.16701  0    345.70505  0     3   2   1   -0.43350
 H       0.96430  1    103.75762  1    317.32776  1   411 410   3    0.21760

