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 H       1.12320  1    110.01806  1    341.81551  1   223 219 218    0.08610
 H       1.12323  1    109.95362  1     99.30350  1   223 219 218    0.09360
 H       1.13440  1    106.07391  1    206.89453  1   219 218   3    0.14250
 H       1.00161  1    110.06524  1     52.94014  1   218   3   2    0.15000
 H       1.00187  1     90.62471  1    302.93101  1   218   3   2    0.13120
 N       9.32589  0    148.49850  0    217.13966  0     3   2   1   -0.32190
 C       1.47774  0     57.95963  0    104.42399  0   240   3   2   -0.11390
 C       1.51432  0    111.43394  0     71.58897  0   241 240   3    0.21420
 O       1.23796  0    120.10755  0    131.27173  0   242 241 240   -0.31060
 H       1.10981  1    117.37778  1    310.20270  1   242 241 240    0.10230
 C       1.54634  1    114.40886  1    308.16690  1   241 240   3   -0.13220
 C       1.51449  1    110.52060  1    180.87773  1   245 241 240   -0.22160
 H       1.11825  1    110.79608  1     64.70596  1   246 245 241    0.11180
 H       1.11872  1    110.01206  1    184.98857  1   246 245 241    0.07380
 H       1.11793  1    110.94136  1    304.44727  1   246 245 241    0.08210
 C       1.51508  1    110.35384  1    302.47690  1   245 241 240   -0.22500
 H       1.11715  1    111.37197  1     70.12709  1   250 245 241    0.05050
 H       1.11797  1    110.06816  1    189.70287  1   250 245 241    0.08440
 H       1.11752  1    110.49873  1    309.16840  1   250 245 241    0.09480
 H       1.12915  1    108.39158  1     61.60975  1   245 241 240    0.09570
 H       1.13339  1    106.67482  1    189.16889  1   241 240   3    0.14000
 H       1.00181  1    121.66509  1     11.45083  1   240   3   2    0.14100
 H       1.00380  1     51.27512  1    282.49121  1   240   3   2    0.13610
 N      10.70920  0    161.02234  0    300.98350  0     3   2   1   -0.33420
 C       1.47447  0     83.51123  0     40.16297  0   258   3   2   -0.10020
 C       1.51972  0    110.88294  0     91.41287  0   259 258   3    0.19560
 O       1.23337  0    122.18349  0    206.71515  0   260 259 258   -0.32840
 H       1.11278  1    116.45042  1     28.50643  1   260 259 258    0.09920
 C       1.53191  1    114.43570  1    323.16888  1   259 258   3   -0.19750
 C       1.52324  1    111.76105  1    280.89659  1   263 259 258   -0.10500
 C       1.51480  1    111.05837  1    154.65228  1   264 263 259   -0.21920
 H       1.11675  1    110.56633  1     64.02603  1   265 264 263    0.07160
 H       1.12105  1    109.51846  1    184.32957  1   265 264 263    0.11700
 H       1.11768  1    110.50563  1    303.49395  1   265 264 263    0.06440
 C       1.51598  1    111.07099  1    277.15132  1   264 263 259   -0.22360
 H       1.11641  1    110.67276  1     65.89799  1   269 264 263    0.05560
 H       1.11772  1    110.02554  1    186.03308  1   269 264 263    0.10140
 H       1.11891  1    110.79311  1    305.49171  1   269 264 263    0.08890
 H       1.12758  1    108.93441  1     36.75396  1   264 263 259    0.08380
 H       1.12369  1    109.80327  1     43.01485  1   263 259 258    0.09340
 H       1.12129  1    108.94598  1    160.19528  1   263 259 258    0.10850
 H       1.13658  1    106.66049  1    204.26006  1   259 258   3    0.12150
 H       1.00299  1    104.68538  1    292.70830  1   258   3   2    0.15680
 H       1.00396  1     29.18753  1    192.77255  1   258   3   2    0.15190
 N       8.36458  0     47.62805  0    220.21231  0     3   2   1   -0.33290
 C       1.47835  0     61.24542  0     67.22159  0   279   3   2   -0.04010
 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   -0.40610
 N       1.33720  0    121.52500  0    307.87372  0   281 280 279   -0.31400
 C       1.46123  0    119.81866  0    181.42204  0   283 281 280   -0.05190
 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   -0.27930
 H       1.11041  1    117.52422  1    334.18938  1   285 284 283    0.09720
 C       1.54123  1    107.56718  1    177.30184  1   284 283 281   -0.15980
 C       1.52392  1    106.41329  1      2.10161  1   288 284 283   -0.17420
 C       1.53810  1    106.69752  1      1.12749  1   289 288 284   -0.02410
 H       1.12623  1    108.73288  1    115.66048  1   290 289 288    0.06770
 H       1.12438  1    110.93893  1    235.19754  1   290 289 288    0.10400
 H       1.11791  1    110.96113  1    121.25687  1   289 288 284    0.08780
 H       1.11896  1    111.14426  1    241.19035  1   289 288 284    0.10790
 H       1.11839  1    110.82364  1    123.15541  1   288 284 283    0.09440
 H       1.12074  1    109.68708  1    242.02662  1   288 284 283    0.11800
 H       1.13305  1    108.87912  1     57.51888  1   284 283 281    0.15140
 C       1.53456  1    113.52568  1    341.04503  1   280 279   3   -0.08870
 C       1.47016  1    112.44813  1    310.59118  1   298 280 279   -0.14350
 C       1.39507  1    125.38410  1    119.51444  1   299 298 280   -0.08180
 N       1.39928  1    110.46293  1    182.57884  1   300 299 298   -0.21020
 C       1.40073  1    107.97987  1    356.64022  1   301 300 299   -0.00380
 C       1.44803  1    108.23903  1      3.12741  1   302 301 300   -0.04680
 C       1.39546  1    119.20958  1    178.33855  1   303 302 301   -0.06970
 C       1.39064  1    118.93832  1    359.63031  1   304 303 302   -0.16450
 C       1.40399  1    121.45798  1      0.12255  1   305 304 303   -0.12060
 C       1.38718  1    121.50876  1      0.11741  1   306 305 304   -0.15960
 H       1.09699  1    121.19759  1    179.30704  1   307 306 305    0.11880
 H       1.09962  1    119.10563  1    179.54821  1   306 305 304    0.11410
 H       1.09964  1    119.43676  1    179.53626  1   305 304 303    0.12630
 H       1.10146  1    120.45209  1    178.58189  1   304 303 302    0.15260
 H       0.98562  1    123.99715  1    197.96706  1   301 300 299    0.24040
 H       1.09635  1    129.53598  1      1.80246  1   300 299 298    0.18650
 H       1.12345  1    110.58180  1     73.16587  1   298 280 279    0.08400
 H       1.12548  1    107.45748  1    189.97075  1   298 280 279    0.12490
 H       1.13645  1    104.81833  1    224.14098  1   280 279   3    0.14400
 H       1.00036  1     52.14041  1    226.59927  1   279   3   2    0.14440
 H       0.99970  1    141.84382  1    153.97376  1   279   3   2    0.13910
 N      11.52547  0     55.38112  0    264.52042  0     3   2   1   -0.34140
 C       1.46046  0     93.60450  0    112.55228  0   319   3   2   -0.09390
 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       1.10833  1    116.30674  1    135.68832  1   321 320 319    0.09140
 C       1.54713  1    116.47444  1     50.96052  1   320 319   3   -0.13890
 C       1.52293  1    110.40124  1    296.01184  1   324 320 319   -0.16280
 C       1.50777  1    112.51578  1    169.12737  1   325 324 320   -0.21680
 H       1.11707  1    111.22716  1     64.48416  1   326 325 324    0.07960
 H       1.11894  1    109.99849  1    184.03291  1   326 325 324    0.08690
 H       1.11726  1    110.81357  1    303.91151  1   326 325 324    0.06900
 H       1.12401  1    109.23994  1    291.19509  1   325 324 320    0.09100
 H       1.12410  1    110.00111  1     48.64776  1   325 324 320    0.07870
 C       1.51476  1    109.46250  1    174.00232  1   324 320 319   -0.22170
 H       1.11775  1    110.64651  1     56.17975  1   332 324 320    0.08020
 H       1.11704  1    110.26892  1    175.87669  1   332 324 320    0.08840
 H       1.11732  1    110.70590  1    295.35458  1   332 324 320    0.07040
 H       1.12633  1    108.47265  1     55.10500  1   324 320 319    0.10720
 H       1.13363  1    105.97881  1    292.16995  1   320 319   3    0.10820
 H       1.00326  1     18.66610  1    319.75001  1   319   3   2    0.16470
 H       1.00303  1    108.48773  1    225.15845  1   319   3   2    0.15770
 N      13.81645  0    117.46542  0    317.45664  0     3   2   1   -0.35140
 C       1.46975  0     69.59418  0    265.79365  0   340   3   2   -0.04740
 C       1.51854  0    109.42956  0     87.30937  0   341 340   3    0.27120
 O       1.22712  0    121.44309  0    110.88918  0   342 341 340   -0.42590
 N       1.33274  0    115.72040  0    292.58365  0   342 341 340   -0.36010
 C       1.46052  0    118.46101  0    181.64764  0   344 342 341   -0.02380
 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   -0.31990
 H       1.11420  1    115.58348  1    318.53302  1   346 345 344    0.11970
 C       1.54139  1    110.08951  1    159.53641  1   345 344 342   -0.17430
 C       1.52001  1    113.51188  1    182.30197  1   349 345 344   -0.10350
 C       1.51403  1    111.33551  1     75.52558  1   350 349 345   -0.20960
 H       1.11688  1    110.64251  1     59.37130  1   351 350 349    0.07980
 H       1.11662  1    110.18128  1    179.23924  1   351 350 349    0.06120
 H       1.11665  1    110.45746  1    299.12862  1   351 350 349    0.07820
 C       1.51639  1    109.66119  1    197.72455  1   350 349 345   -0.21830
 H       1.11776  1    110.78766  1     56.12489  1   355 350 349    0.06960
 H       1.11734  1    109.96337  1    175.76479  1   355 350 349    0.06230
 H       1.11742  1    110.82741  1    295.88644  1   355 350 349    0.09920
 H       1.12780  1    109.01578  1    316.13760  1   350 349 345    0.08990
 H       1.12302  1    108.94510  1    303.95119  1   349 345 344    0.09880
 H       1.12379  1    108.74342  1     60.31596  1   349 345 344    0.09450
 H       1.13190  1    108.04893  1     40.06657  1   345 344 342    0.11390
 H       1.00479  1    122.43627  1     10.83385  1   344 342 341    0.29660
 C       1.52219  1    114.20422  1    321.58113  1   341 340   3   -0.21770
 H       1.12004  1    111.32937  1     52.76178  1   364 341 340    0.11350
 H       1.11646  1    109.46477  1    173.57535  1   364 341 340    0.07160
 H       1.11679  1    109.99901  1    292.99472  1   364 341 340    0.08350
 H       1.13252  1    106.28767  1    202.05382  1   341 340   3    0.09900
 H       1.00682  1     41.06079  1     98.52140  1   340   3   2    0.18270
 H       1.00259  1    114.56360  1      9.64386  1   340   3   2    0.15200
 N      10.80169  0    132.34688  0    329.70543  0     3   2   1   -0.34820
 C       1.44351  0     37.18078  0     10.67837  0   371   3   2   -0.06640
 C       1.52058  0    113.71970  0     78.47512  0   372 371   3    0.27320
 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   -0.36990
 C       1.46344  0    122.73833  0    184.27316  0   375 373 372   -0.03730
 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   -0.31640
 H       1.11347  1    115.20411  1     61.77395  1   377 376 375    0.10160
 C       1.53663  1    113.05293  1    149.17397  1   376 375 373   -0.12530
 C       1.48648  1    112.79808  1    308.03427  1   380 376 375   -0.09090
 C       1.39999  1    120.70181  1    290.26413  1   381 380 376   -0.11680
 C       1.39443  1    120.47664  1    179.37499  1   382 381 380   -0.12190
 C       1.39530  1    119.77477  1      0.92404  1   383 382 381   -0.12950
 C       1.39414  1    120.18546  1    359.42534  1   384 383 382   -0.13960
 C       1.39431  1    119.94751  1      0.00000  1   385 384 383   -0.13990
 H       1.10052  1    119.84800  1    181.67441  1   386 385 384    0.12010
 H       1.10262  1    120.24807  1    181.42106  1   385 384 383    0.13440
 H       1.09990  1    119.65987  1    180.43639  1   384 383 382    0.12290
 H       1.10868  1    119.85033  1    182.90079  1   383 382 381    0.18740
 H       1.10037  1    119.95872  1      0.63955  1   382 381 380    0.13610
 H       1.12318  1    109.03531  1     70.92289  1   380 376 375    0.09900
 H       1.12264  1    107.18574  1    186.63548  1   380 376 375    0.09370
 H       1.13581  1    107.57187  1     29.13347  1   376 375 373    0.13890
 H       0.99655  1    121.42673  1    354.89158  1   375 373 372    0.24560
 C       1.54395  1    110.81474  1    314.67822  1   372 371   3   -0.08620
 C       1.47090  1    111.68718  1    190.21129  1   396 372 371   -0.12460
 N       1.39783  1    124.55261  1     68.49280  1   397 396 372   -0.18400
 C       1.39528  1    106.63976  1    181.93278  1   398 397 396   -0.09950
 N       1.35431  1    111.42743  1    358.00104  1   399 398 397   -0.17170
 C       1.38778  1    106.00688  1      1.03740  1   400 399 398   -0.19360
 H       1.09030  1    121.71208  1    179.70103  1   401 400 399    0.17470
 H       1.09610  1    123.38033  1    178.58749  1   399 398 397    0.20500
 H       0.99751  1    124.58021  1    351.30886  1   398 397 396    0.29320
 H       1.12682  1    108.32087  1    311.49111  1   396 372 371    0.11740
 H       1.12253  1    110.71702  1     69.43942  1   396 372 371    0.08940
 H       1.14188  1    107.42777  1    196.85325  1   372 371   3    0.19950
 H       0.99948  1     77.07410  1    174.90972  1   371   3   2    0.15320
 H       0.99839  1    136.09504  1     69.16324  1   371   3   2    0.14950
 H       4.55062  1     99.91294  1    342.38443  1     3   2   1    0.20960
 O       3.61947  0     99.16701  0    345.70505  0     3   2   1   -0.44170
 H       0.96650  1    103.86904  1    320.63101  1   411 410   3    0.22610

