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 H       1.12335  1    109.86832  1    339.36928  1   223 219 218    0.08480
 H       1.12302  1    109.84338  1     96.56565  1   223 219 218    0.09470
 H       1.13402  1    106.40201  1    207.02711  1   219 218   3    0.13850
 H       1.00144  1    111.70136  1     57.67125  1   218   3   2    0.14930
 H       1.00157  1     90.00048  1    307.69179  1   218   3   2    0.13120
 N       9.32589  0    148.49850  0    217.13966  0     3   2   1   -0.32400
 C       1.47774  0     57.95963  0    104.42399  0   240   3   2   -0.11400
 C       1.51432  0    111.43394  0     71.58897  0   241 240   3    0.21660
 O       1.23796  0    120.10755  0    131.27173  0   242 241 240   -0.31790
 H       1.10988  1    117.35848  1    309.46335  1   242 241 240    0.10270
 C       1.54673  1    114.50074  1    308.47904  1   241 240   3   -0.13370
 C       1.51430  1    110.35381  1    180.96843  1   245 241 240   -0.22100
 H       1.11828  1    110.79761  1     61.75113  1   246 245 241    0.10950
 H       1.11795  1    110.11393  1    181.97760  1   246 245 241    0.07990
 H       1.11812  1    110.77462  1    301.50212  1   246 245 241    0.07690
 C       1.51465  1    110.46260  1    302.54667  1   245 241 240   -0.22250
 H       1.11728  1    111.37641  1     68.80196  1   250 245 241    0.05050
 H       1.11819  1    109.94896  1    188.19766  1   250 245 241    0.08660
 H       1.11723  1    110.57209  1    307.71699  1   250 245 241    0.09230
 H       1.12880  1    108.34253  1     61.66499  1   245 241 240    0.10240
 H       1.13304  1    106.67856  1    189.31326  1   241 240   3    0.13770
 H       1.00190  1    121.22528  1     11.24117  1   240   3   2    0.14150
 H       1.00406  1     51.22352  1    281.98491  1   240   3   2    0.13830
 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   -0.10110
 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   -0.33210
 H       1.11286  1    116.45580  1     29.08519  1   260 259 258    0.09990
 C       1.53286  1    114.29087  1    323.32442  1   259 258   3   -0.19810
 C       1.52307  1    111.62919  1    279.95362  1   263 259 258   -0.10860
 C       1.51477  1    111.21521  1    153.90020  1   264 263 259   -0.21870
 H       1.11648  1    110.62639  1     66.26159  1   265 264 263    0.06650
 H       1.12194  1    109.44919  1    186.67373  1   265 264 263    0.12380
 H       1.11775  1    110.53738  1    305.80699  1   265 264 263    0.06620
 C       1.51590  1    110.90350  1    276.62135  1   264 263 259   -0.22400
 H       1.11651  1    110.67600  1     67.48673  1   269 264 263    0.05630
 H       1.11774  1    110.04630  1    187.75565  1   269 264 263    0.10220
 H       1.11878  1    110.88331  1    307.14848  1   269 264 263    0.08670
 H       1.12781  1    108.82247  1     36.11197  1   264 263 259    0.08760
 H       1.12384  1    109.70079  1     41.90916  1   263 259 258    0.09370
 H       1.12132  1    109.14987  1    159.04176  1   263 259 258    0.10440
 H       1.13621  1    106.54562  1    204.39136  1   259 258   3    0.12330
 H       1.00348  1     99.84402  1    292.39465  1   258   3   2    0.16050
 H       1.00423  1     31.58678  1    185.24461  1   258   3   2    0.14800
 N       8.36458  0     47.62805  0    220.21231  0     3   2   1   -0.33400
 C       1.47835  0     61.24542  0     67.22159  0   279   3   2   -0.03700
 C       1.51781  0    114.00427  0    109.21645  0   280 279   3    0.28440
 O       1.24606  0    120.23596  0    130.28049  0   281 280 279   -0.43090
 N       1.33720  0    121.52500  0    307.87372  0   281 280 279   -0.28970
 C       1.46123  0    119.81866  0    181.42204  0   283 281 280   -0.04670
 C       1.52311  0    110.76539  0    298.61277  0   284 283 281    0.18660
 O       1.22828  0    119.95573  0    154.36018  0   285 284 283   -0.29220
 H       1.11087  1    117.73843  1    334.58295  1   285 284 283    0.09000
 C       1.54113  1    107.57038  1    176.81484  1   284 283 281   -0.15200
 C       1.52346  1    106.43238  1    358.91373  1   288 284 283   -0.16840
 C       1.53726  1    106.75455  1      2.42333  1   289 288 284   -0.02210
 H       1.12619  1    108.94969  1    116.72682  1   290 289 288    0.05590
 H       1.12411  1    110.53422  1    236.54650  1   290 289 288    0.11670
 H       1.11740  1    111.08394  1    122.73536  1   289 288 284    0.07510
 H       1.12034  1    110.69650  1    243.10316  1   289 288 284    0.11850
 H       1.11789  1    111.00587  1    120.23830  1   288 284 283    0.07900
 H       1.12112  1    109.23957  1    239.57712  1   288 284 283    0.12550
 H       1.13595  1    108.42353  1     58.11690  1   284 283 281    0.17010
 C       1.53574  1    113.85945  1    341.73129  1   280 279   3   -0.10800
 C       1.46875  1    113.02071  1    317.78207  1   298 280 279   -0.13160
 C       1.39488  1    125.77522  1    114.91711  1   299 298 280   -0.08310
 N       1.40088  1    110.40066  1    180.97699  1   300 299 298   -0.20940
 C       1.39982  1    108.01232  1    356.19147  1   301 300 299   -0.00420
 C       1.44801  1    108.18364  1      3.32940  1   302 301 300   -0.06200
 C       1.39439  1    119.29547  1    178.51126  1   303 302 301   -0.06030
 C       1.38872  1    118.97965  1      0.49470  1   304 303 302   -0.17110
 C       1.40508  1    121.36325  1    359.58072  1   305 304 303   -0.12350
 C       1.38745  1    121.56034  1    359.87402  1   306 305 304   -0.16090
 H       1.09718  1    121.17484  1    179.44287  1   307 306 305    0.12040
 H       1.09971  1    119.08696  1    179.66235  1   306 305 304    0.11490
 H       1.09953  1    119.54953  1    179.62797  1   305 304 303    0.12400
 H       1.10028  1    120.10470  1    180.05294  1   304 303 302    0.14450
 H       0.98564  1    123.89061  1    197.84789  1   301 300 299    0.24030
 H       1.09684  1    129.35264  1      1.35725  1   300 299 298    0.18900
 H       1.12469  1    110.51795  1     81.38773  1   298 280 279    0.11750
 H       1.12606  1    107.27498  1    197.09425  1   298 280 279    0.11620
 H       1.13557  1    104.57888  1    224.18338  1   280 279   3    0.12900
 H       1.00109  1     50.68659  1    231.22035  1   279   3   2    0.14590
 H       1.00018  1    137.55541  1    156.40718  1   279   3   2    0.13770
 N      11.52547  0     55.38112  0    264.52042  0     3   2   1   -0.34820
 C       1.46046  0     93.60450  0    112.55228  0   319   3   2   -0.09400
 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   -0.30400
 H       1.10826  1    116.33372  1    134.96763  1   321 320 319    0.08850
 C       1.54725  1    115.30546  1     49.77059  1   320 319   3   -0.13940
 C       1.52493  1    109.91234  1    295.71672  1   324 320 319   -0.16300
 C       1.50728  1    113.14915  1    167.28400  1   325 324 320   -0.22580
 H       1.11665  1    111.10245  1     71.82663  1   326 325 324    0.06530
 H       1.12254  1    109.94075  1    191.73002  1   326 325 324    0.11910
 H       1.11747  1    110.77459  1    310.93538  1   326 325 324    0.06840
 H       1.12367  1    109.12019  1    289.54994  1   325 324 320    0.08310
 H       1.12428  1    110.27556  1     46.94230  1   325 324 320    0.08940
 C       1.51334  1    110.10563  1    173.38609  1   324 320 319   -0.21740
 H       1.11745  1    110.81011  1     56.63727  1   332 324 320    0.07310
 H       1.11836  1    109.95642  1    176.44958  1   332 324 320    0.08860
 H       1.11752  1    110.68060  1    295.91133  1   332 324 320    0.06580
 H       1.12665  1    108.38688  1     54.41973  1   324 320 319    0.10960
 H       1.13411  1    105.95821  1    291.77409  1   320 319   3    0.10240
 H       1.00351  1     19.27130  1    321.07228  1   319   3   2    0.16900
 H       1.00325  1    107.92221  1    224.96516  1   319   3   2    0.16180
 N      13.81645  0    117.46542  0    317.45664  0     3   2   1   -0.35300
 C       1.46975  0     69.59418  0    265.79365  0   340   3   2   -0.04720
 C       1.51854  0    109.42956  0     87.30937  0   341 340   3    0.27500
 O       1.22712  0    121.44309  0    110.88918  0   342 341 340   -0.42060
 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   -0.02900
 C       1.52566  0    113.35886  0    280.16963  0   345 344 342    0.18190
 O       1.22406  0    121.51706  0    139.04305  0   346 345 344   -0.31640
 H       1.11451  1    115.54531  1    318.91451  1   346 345 344    0.12130
 C       1.53853  1    112.14461  1    158.19633  1   345 344 342   -0.16750
 C       1.52256  1    111.28348  1    200.78869  1   349 345 344   -0.11530
 C       1.51476  1    111.11045  1     80.75617  1   350 349 345   -0.20880
 H       1.11702  1    110.65250  1     61.95173  1   351 350 349    0.07900
 H       1.11655  1    110.23419  1    181.88453  1   351 350 349    0.07180
 H       1.11706  1    110.65986  1    301.80210  1   351 350 349    0.07540
 C       1.51502  1    110.30948  1    202.94838  1   350 349 345   -0.20950
 H       1.11687  1    110.76222  1     62.76952  1   355 350 349    0.06410
 H       1.11742  1    109.94644  1    182.51472  1   355 350 349    0.06810
 H       1.11718  1    110.58982  1    302.33682  1   355 350 349    0.08450
 H       1.12884  1    108.42192  1    321.71361  1   350 349 345    0.09970
 H       1.12241  1    110.22005  1    322.13693  1   349 345 344    0.09910
 H       1.12217  1    109.02799  1     79.40877  1   349 345 344    0.08600
 H       1.13460  1    107.15203  1     38.80193  1   345 344 342    0.11890
 H       1.00371  1    122.31828  1     12.28482  1   344 342 341    0.29170
 C       1.52228  1    114.43912  1    321.47107  1   341 340   3   -0.21680
 H       1.11976  1    111.32018  1     52.88776  1   364 341 340    0.10740
 H       1.11651  1    109.50636  1    173.71149  1   364 341 340    0.07410
 H       1.11688  1    110.01913  1    293.13022  1   364 341 340    0.08450
 H       1.13276  1    106.17829  1    201.95944  1   341 340   3    0.10150
 H       1.00637  1     42.33837  1    105.08020  1   340   3   2    0.18070
 H       1.00263  1    110.33068  1     11.09086  1   340   3   2    0.15350
 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   -0.06070
 C       1.52058  0    113.71970  0     78.47512  0   372 371   3    0.26890
 O       1.22780  0    120.16143  0    128.71132  0   373 372 371   -0.38860
 N       1.33334  0    119.06894  0    308.22080  0   373 372 371   -0.37010
 C       1.46344  0    122.73833  0    184.27316  0   375 373 372   -0.03470
 C       1.51251  0    109.68839  0    272.90895  0   376 375 373    0.18750
 O       1.22625  0    122.47880  0    241.57476  0   377 376 375   -0.31330
 H       1.11342  1    115.18660  1     61.70972  1   377 376 375    0.10140
 C       1.53683  1    112.65351  1    149.10687  1   376 375 373   -0.12590
 C       1.48644  1    112.60700  1    308.37826  1   380 376 375   -0.09220
 C       1.39965  1    120.53918  1    286.97757  1   381 380 376   -0.11980
 C       1.39428  1    120.40079  1    179.10025  1   382 381 380   -0.13080
 C       1.39546  1    119.90424  1      0.80736  1   383 382 381   -0.12350
 C       1.39538  1    120.08466  1    359.43516  1   384 383 382   -0.13620
 C       1.39457  1    119.93765  1    359.81655  1   385 384 383   -0.13690
 H       1.10091  1    119.81384  1    181.71903  1   386 385 384    0.12220
 H       1.10313  1    120.14933  1    180.86139  1   385 384 383    0.14150
 H       1.10070  1    119.73862  1    180.43832  1   384 383 382    0.13280
 H       1.10669  1    119.91636  1    181.90924  1   383 382 381    0.17210
 H       1.10032  1    119.84856  1      0.37366  1   382 381 380    0.13240
 H       1.12318  1    109.07928  1     71.31701  1   380 376 375    0.10100
 H       1.12254  1    107.23417  1    187.13720  1   380 376 375    0.09440
 H       1.13543  1    107.65118  1     29.18561  1   376 375 373    0.13510
 H       0.99683  1    121.46672  1    355.43988  1   375 373 372    0.24700
 C       1.54325  1    111.62469  1    314.83454  1   372 371   3   -0.09260
 C       1.47236  1    111.16944  1    193.54091  1   396 372 371   -0.10510
 N       1.39759  1    123.82906  1     69.81746  1   397 396 372   -0.17660
 C       1.39292  1    106.75118  1    182.37380  1   398 397 396   -0.10590
 N       1.35441  1    111.44122  1    358.16622  1   399 398 397   -0.19400
 C       1.38973  1    105.93650  1      1.14292  1   400 399 398   -0.19500
 H       1.09088  1    121.98771  1    180.27022  1   401 400 399    0.17480
 H       1.09519  1    122.92982  1    178.44795  1   399 398 397    0.19680
 H       0.99880  1    124.66296  1    350.91019  1   398 397 396    0.29730
 H       1.12728  1    108.53176  1    314.48519  1   396 372 371    0.12090
 H       1.12220  1    110.92103  1     72.39182  1   396 372 371    0.09410
 H       1.14220  1    107.08173  1    196.76514  1   372 371   3    0.19720
 H       0.99941  1     77.07416  1    175.39929  1   371   3   2    0.15510
 H       0.99820  1    135.97619  1     69.43268  1   371   3   2    0.15160
 H       4.42752  1    103.52533  1    339.53446  1     3   2   1    0.20870
 O       3.61947  0     99.16701  0    345.70505  0     3   2   1   -0.43200
 H       0.96443  1    103.77675  1    319.57095  1   411 410   3    0.21700

