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 H       1.12302  1    109.94869  1    340.16279  1   223 219 218    0.08560
 H       1.12306  1    109.83116  1     97.54713  1   223 219 218    0.09300
 H       1.13465  1    106.09583  1    206.69771  1   219 218   3    0.14080
 H       1.00141  1    111.16345  1     56.08043  1   218   3   2    0.15030
 H       1.00147  1     90.31232  1    305.93051  1   218   3   2    0.13210
 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   -0.11450
 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   -0.31250
 H       1.10983  1    117.35485  1    309.56174  1   242 241 240    0.10240
 C       1.54652  1    114.41869  1    308.32772  1   241 240   3   -0.13170
 C       1.51430  1    110.49563  1    180.94702  1   245 241 240   -0.22130
 H       1.11817  1    110.90156  1     63.92094  1   246 245 241    0.11130
 H       1.11851  1    110.02029  1    184.23601  1   246 245 241    0.07600
 H       1.11808  1    110.87449  1    303.62719  1   246 245 241    0.08030
 C       1.51493  1    110.39038  1    302.53666  1   245 241 240   -0.22350
 H       1.11722  1    111.37278  1     69.56336  1   250 245 241    0.04990
 H       1.11807  1    110.01370  1    189.05638  1   250 245 241    0.08400
 H       1.11738  1    110.53881  1    308.51890  1   250 245 241    0.09430
 H       1.12903  1    108.35511  1     61.64418  1   245 241 240    0.09750
 H       1.13325  1    106.69568  1    189.25178  1   241 240   3    0.13940
 H       1.00186  1    121.56440  1     11.40552  1   240   3   2    0.14070
 H       1.00392  1     51.23144  1    282.40631  1   240   3   2    0.13640
 N      10.70920  0    161.02234  0    300.98350  0     3   2   1   -0.33220
 C       1.47447  0     83.51123  0     40.16297  0   258   3   2   -0.09970
 C       1.51972  0    110.88294  0     91.41287  0   259 258   3    0.19550
 O       1.23337  0    122.18349  0    206.71515  0   260 259 258   -0.32910
 H       1.11282  1    116.44322  1     29.04082  1   260 259 258    0.09900
 C       1.53239  1    114.33012  1    323.33341  1   259 258   3   -0.20120
 C       1.52310  1    111.76083  1    280.61396  1   263 259 258   -0.10440
 C       1.51482  1    111.06604  1    154.48844  1   264 263 259   -0.21910
 H       1.11674  1    110.62721  1     64.04598  1   265 264 263    0.06990
 H       1.12119  1    109.49189  1    184.43417  1   265 264 263    0.11870
 H       1.11772  1    110.48678  1    303.64892  1   265 264 263    0.06510
 C       1.51580  1    110.95302  1    277.07481  1   264 263 259   -0.22350
 H       1.11647  1    110.64926  1     66.28758  1   269 264 263    0.05580
 H       1.11778  1    110.00055  1    186.47911  1   269 264 263    0.10140
 H       1.11878  1    110.83794  1    305.89281  1   269 264 263    0.08820
 H       1.12770  1    108.93270  1     36.59018  1   264 263 259    0.08490
 H       1.12383  1    109.71151  1     42.63536  1   263 259 258    0.09360
 H       1.12144  1    109.05414  1    159.78102  1   263 259 258    0.10820
 H       1.13623  1    106.54254  1    204.39817  1   259 258   3    0.12320
 H       1.00344  1    100.26924  1    292.44529  1   258   3   2    0.15980
 H       1.00421  1     31.29558  1    185.93563  1   258   3   2    0.14760
 N       8.36458  0     47.62805  0    220.21231  0     3   2   1   -0.33240
 C       1.47835  0     61.24542  0     67.22159  0   279   3   2   -0.03980
 C       1.51781  0    114.00427  0    109.21645  0   280 279   3    0.27790
 O       1.24606  0    120.23596  0    130.28049  0   281 280 279   -0.41110
 N       1.33720  0    121.52500  0    307.87372  0   281 280 279   -0.30870
 C       1.46123  0    119.81866  0    181.42204  0   283 281 280   -0.05170
 C       1.52311  0    110.76539  0    298.61277  0   284 283 281    0.18580
 O       1.22828  0    119.95573  0    154.36018  0   285 284 283   -0.28200
 H       1.11055  1    117.59471  1    334.63687  1   285 284 283    0.09540
 C       1.54046  1    107.63796  1    176.52580  1   284 283 281   -0.15750
 C       1.52368  1    106.40404  1      1.21949  1   288 284 283   -0.17310
 C       1.53827  1    106.72314  1      1.38893  1   289 288 284   -0.02580
 H       1.12621  1    108.81939  1    116.00920  1   290 289 288    0.06580
 H       1.12446  1    110.79716  1    235.52219  1   290 289 288    0.10630
 H       1.11768  1    111.01156  1    121.53623  1   289 288 284    0.08510
 H       1.11972  1    110.91863  1    241.58459  1   289 288 284    0.11010
 H       1.11823  1    110.88705  1    122.38928  1   288 284 283    0.09030
 H       1.12127  1    109.52666  1    241.38717  1   288 284 283    0.12280
 H       1.13443  1    108.72701  1     57.36162  1   284 283 281    0.15770
 C       1.53516  1    113.74159  1    341.19934  1   280 279   3   -0.09250
 C       1.46966  1    112.75489  1    312.67737  1   298 280 279   -0.13890
 C       1.39532  1    125.70517  1    118.04633  1   299 298 280   -0.08400
 N       1.39986  1    110.44505  1    181.13413  1   300 299 298   -0.20960
 C       1.40054  1    107.95526  1    356.60987  1   301 300 299   -0.00550
 C       1.44782  1    108.24352  1      3.29729  1   302 301 300   -0.05700
 C       1.39360  1    119.13439  1    178.51237  1   303 302 301   -0.05960
 C       1.38880  1    118.96782  1    359.81002  1   304 303 302   -0.16730
 C       1.40444  1    121.40703  1      0.10071  1   305 304 303   -0.12160
 C       1.38749  1    121.51935  1      0.03057  1   306 305 304   -0.16080
 H       1.09709  1    121.20475  1    179.66349  1   307 306 305    0.12080
 H       1.09965  1    119.08911  1    179.60663  1   306 305 304    0.11480
 H       1.09961  1    119.50314  1    179.42675  1   305 304 303    0.12660
 H       1.10052  1    120.23995  1    179.24178  1   304 303 302    0.14850
 H       0.98557  1    124.02987  1    197.81386  1   301 300 299    0.24050
 H       1.09664  1    129.48386  1      1.21067  1   300 299 298    0.18840
 H       1.12358  1    110.35377  1     75.54246  1   298 280 279    0.09040
 H       1.12573  1    107.50566  1    192.18508  1   298 280 279    0.12290
 H       1.13594  1    104.78548  1    224.25002  1   280 279   3    0.13950
 H       1.00053  1     51.64325  1    227.95745  1   279   3   2    0.14460
 H       0.99978  1    140.51784  1    154.75910  1   279   3   2    0.13900
 N      11.52547  0     55.38112  0    264.52042  0     3   2   1   -0.34260
 C       1.46046  0     93.60450  0    112.55228  0   319   3   2   -0.09360
 C       1.52047  0    110.87988  0    175.78694  0   320 319   3    0.20610
 O       1.23737  0    120.84914  0    314.34911  0   321 320 319   -0.30630
 H       1.10834  1    116.33770  1    134.95329  1   321 320 319    0.09090
 C       1.54694  1    116.51613  1     51.21274  1   320 319   3   -0.14060
 C       1.52246  1    110.55074  1    296.55130  1   324 320 319   -0.15960
 C       1.50743  1    112.44837  1    169.15414  1   325 324 320   -0.22230
 H       1.11679  1    111.21829  1     65.38004  1   326 325 324    0.07300
 H       1.12014  1    110.08295  1    185.10911  1   326 325 324    0.10280
 H       1.11742  1    110.74355  1    304.77140  1   326 325 324    0.06800
 H       1.12369  1    109.28665  1    291.13140  1   325 324 320    0.08690
 H       1.12405  1    110.09045  1     48.68525  1   325 324 320    0.08110
 C       1.51469  1    109.41125  1    174.44394  1   324 320 319   -0.21990
 H       1.11777  1    110.66233  1     56.41823  1   332 324 320    0.07670
 H       1.11704  1    110.20311  1    176.08217  1   332 324 320    0.08850
 H       1.11734  1    110.76998  1    295.60839  1   332 324 320    0.06910
 H       1.12635  1    108.44661  1     55.64727  1   324 320 319    0.10820
 H       1.13333  1    105.94316  1    292.29504  1   320 319   3    0.10690
 H       1.00377  1     18.29771  1    316.42537  1   319   3   2    0.16590
 H       1.00335  1    109.49626  1    225.25477  1   319   3   2    0.15800
 N      13.81645  0    117.46542  0    317.45664  0     3   2   1   -0.35000
 C       1.46975  0     69.59418  0    265.79365  0   340   3   2   -0.04750
 C       1.51854  0    109.42956  0     87.30937  0   341 340   3    0.27090
 O       1.22712  0    121.44309  0    110.88918  0   342 341 340   -0.42250
 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   -0.02630
 C       1.52566  0    113.35886  0    280.16963  0   345 344 342    0.18440
 O       1.22406  0    121.51706  0    139.04305  0   346 345 344   -0.31890
 H       1.11435  1    115.57848  1    318.84821  1   346 345 344    0.12020
 C       1.54004  1    111.31758  1    158.96159  1   345 344 342   -0.17160
 C       1.52159  1    112.22448  1    191.94153  1   349 345 344   -0.10590
 C       1.51502  1    111.11328  1     77.58228  1   350 349 345   -0.20340
 H       1.11690  1    110.60896  1     60.01226  1   351 350 349    0.07590
 H       1.11654  1    110.23281  1    179.63266  1   351 350 349    0.06410
 H       1.11669  1    110.63827  1    299.80106  1   351 350 349    0.07560
 C       1.51539  1    110.07133  1    199.92449  1   350 349 345   -0.21850
 H       1.11703  1    110.73086  1     57.54548  1   355 350 349    0.06780
 H       1.11757  1    109.82606  1    177.50593  1   355 350 349    0.06560
 H       1.11710  1    110.78858  1    297.79525  1   355 350 349    0.09400
 H       1.12788  1    108.86096  1    318.43841  1   350 349 345    0.09350
 H       1.12220  1    109.69897  1    312.99453  1   349 345 344    0.10120
 H       1.12276  1    108.84699  1     70.58668  1   349 345 344    0.08960
 H       1.13311  1    107.57715  1     39.42365  1   345 344 342    0.11520
 H       1.00438  1    122.42167  1     11.44684  1   344 342 341    0.29450
 C       1.52223  1    114.24168  1    321.58191  1   341 340   3   -0.21700
 H       1.11996  1    111.32917  1     52.71374  1   364 341 340    0.11120
 H       1.11646  1    109.47881  1    173.52290  1   364 341 340    0.07230
 H       1.11682  1    110.01009  1    292.95503  1   364 341 340    0.08410
 H       1.13255  1    106.28459  1    202.05198  1   341 340   3    0.09960
 H       1.00659  1     41.23429  1     99.26329  1   340   3   2    0.18280
 H       1.00255  1    114.12124  1      9.75997  1   340   3   2    0.15070
 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   -0.06540
 C       1.52058  0    113.71970  0     78.47512  0   372 371   3    0.27230
 O       1.22780  0    120.16143  0    128.71132  0   373 372 371   -0.38560
 N       1.33334  0    119.06894  0    308.22080  0   373 372 371   -0.37120
 C       1.46344  0    122.73833  0    184.27316  0   375 373 372   -0.03590
 C       1.51251  0    109.68839  0    272.90895  0   376 375 373    0.18790
 O       1.22625  0    122.47880  0    241.57476  0   377 376 375   -0.31520
 H       1.11345  1    115.19438  1     61.76820  1   377 376 375    0.10130
 C       1.53700  1    112.74505  1    149.27026  1   376 375 373   -0.12530
 C       1.48636  1    112.75484  1    307.71552  1   380 376 375   -0.09170
 C       1.40014  1    120.57025  1    289.29654  1   381 380 376   -0.11810
 C       1.39445  1    120.43792  1    179.09131  1   382 381 380   -0.12430
 C       1.39570  1    119.81202  1      0.75797  1   383 382 381   -0.12720
 C       1.39449  1    120.17094  1    359.43338  1   384 383 382   -0.13870
 C       1.39426  1    119.92331  1    359.97272  1   385 384 383   -0.13890
 H       1.10051  1    119.84409  1    181.66677  1   386 385 384    0.12030
 H       1.10283  1    120.23215  1    181.26635  1   385 384 383    0.13670
 H       1.10014  1    119.69625  1    180.59511  1   384 383 382    0.12560
 H       1.10826  1    119.80126  1    182.62999  1   383 382 381    0.18320
 H       1.10048  1    119.88194  1      0.54279  1   382 381 380    0.13500
 H       1.12326  1    109.03506  1     70.98816  1   380 376 375    0.09950
 H       1.12263  1    107.20776  1    186.73672  1   380 376 375    0.09330
 H       1.13542  1    107.67714  1     29.28544  1   376 375 373    0.13790
 H       0.99661  1    121.43630  1    355.14892  1   375 373 372    0.24580
 C       1.54348  1    111.16264  1    314.35520  1   372 371   3   -0.08680
 C       1.47085  1    110.87592  1    191.37630  1   396 372 371   -0.11990
 N       1.39843  1    124.18444  1     70.47832  1   397 396 372   -0.18350
 C       1.39431  1    106.60263  1    183.29426  1   398 397 396   -0.09980
 N       1.35334  1    111.39201  1    357.94633  1   399 398 397   -0.17900
 C       1.38837  1    106.07711  1      1.11060  1   400 399 398   -0.19020
 H       1.09066  1    121.71484  1    179.89524  1   401 400 399    0.17530
 H       1.09561  1    123.22510  1    178.49276  1   399 398 397    0.20090
 H       0.99766  1    124.54902  1    351.06353  1   398 397 396    0.29410
 H       1.12672  1    108.51680  1    312.52651  1   396 372 371    0.11770
 H       1.12227  1    110.86944  1     70.62378  1   396 372 371    0.09100
 H       1.14222  1    107.26992  1    196.81352  1   372 371   3    0.19780
 H       0.99945  1     77.05522  1    175.08595  1   371   3   2    0.15360
 H       0.99831  1    136.03339  1     69.27842  1   371   3   2    0.15010
 H       4.52085  1    100.28309  1    341.06798  1     3   2   1    0.21220
 O       3.61947  0     99.16701  0    345.70505  0     3   2   1   -0.43860
 H       0.96517  1    103.85022  1    322.49295  1   411 410   3    0.22020

