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 C       1.48568  1    112.84069  1    212.19738  1   234 230 229   -0.09580
 C       1.39897  1    120.25036  1    244.73437  1   235 234 230   -0.11960
 C       1.39562  1    120.26170  1    183.22523  1   236 235 234   -0.11770
 C       1.39521  1    120.11093  1    359.03308  1   237 236 235   -0.14600
 C       1.39769  1    119.79052  1      0.11149  1   238 237 236   -0.13420
 C       1.39309  1    120.12533  1      0.70367  1   239 238 237   -0.12800
 H       1.09952  1    119.94447  1    179.08594  1   240 239 238    0.11500
 H       1.10014  1    119.93159  1    180.01486  1   239 238 237    0.13450
 H       1.10500  1    119.82715  1    179.81412  1   238 237 236    0.17060
 H       1.10303  1    119.92457  1    178.76036  1   237 236 235    0.16790
 H       1.10056  1    120.29097  1      2.76652  1   236 235 234    0.13820
 H       1.12484  1    109.70451  1    332.49222  1   234 230 229    0.08350
 H       1.12364  1    109.06256  1     88.85921  1   234 230 229    0.09030
 H       1.13077  1    106.80563  1    194.07566  1   230 229   3    0.14070
 H       1.00135  1    117.53438  1      6.33465  1   229   3   2    0.14430
 H       1.00162  1     71.23341  1    264.72177  1   229   3   2    0.13110
 N      10.63207  0    157.78032  0    247.22641  0     3   2   1   -0.32210
 C       1.45686  0     61.45363  0     72.53461  0   251   3   2   -0.11460
 C       1.53079  0    114.33401  0    108.37627  0   252 251   3    0.19520
 O       1.24202  0    122.12129  0    166.61502  0   253 252 251   -0.29920
 H       1.11122  1    116.73151  1    347.73250  1   253 252 251    0.07960
 C       1.53894  1    115.82356  1    338.52897  1   252 251   3   -0.10240
 C       1.46912  1    109.57427  1    291.08190  1   256 252 251   -0.17020
 C       1.39140  1    127.34090  1    110.80887  1   257 256 252   -0.06480
 N       1.40227  1    110.64638  1    184.08644  1   258 257 256   -0.20560
 C       1.40594  1    107.58064  1    355.78024  1   259 258 257   -0.02240
 C       1.44469  1    108.32567  1      3.94074  1   260 259 258   -0.07610
 C       1.39462  1    119.48451  1    177.84016  1   261 260 259   -0.09220
 C       1.38797  1    118.93647  1    359.56623  1   262 261 260   -0.14820
 C       1.40594  1    121.34247  1    359.92472  1   263 262 261   -0.10060
 C       1.38815  1    121.44504  1      0.28783  1   264 263 262   -0.16320
 H       1.09815  1    121.19392  1    179.60407  1   265 264 263    0.13000
 H       1.10413  1    118.51700  1    180.12372  1   264 263 262    0.15950
 H       1.10089  1    119.89907  1    179.24924  1   263 262 261    0.14480
 H       1.10003  1    120.15701  1    178.73894  1   262 261 260    0.13780
 H       0.98995  1    122.78116  1    202.93384  1   259 258 257    0.23980
 H       1.09375  1    129.22359  1      1.74063  1   258 257 256    0.16370
 H       1.12136  1    110.42905  1     53.40654  1   256 252 251    0.08290
 H       1.12487  1    108.53721  1    171.49568  1   256 252 251    0.11650
 H       1.14096  1    105.33575  1    221.98918  1   252 251   3    0.13230
 H       1.00457  1     90.01188  1    321.43273  1   251   3   2    0.16580
 H       1.00384  1     60.54853  1    211.35728  1   251   3   2    0.12940
 N       8.67740  0     38.22060  0    193.99078  0     3   2   1   -0.34440
 C       1.42114  0     58.23409  0     50.35430  0   277   3   2   -0.04190
 C       1.53309  0    116.04025  0    101.50935  0   278 277   3    0.32940
 O       1.21854  0    114.35152  0    130.77104  0   279 278 277   -0.41720
 N       1.34627  0    124.98155  0    307.65807  0   279 278 277   -0.31040
 C       1.44346  0    119.05048  0    178.55598  0   281 279 278   -0.03260
 C       1.53151  0    110.56490  0    303.77749  0   282 281 279    0.19260
 O       1.24540  0    121.78839  0    134.73572  0   283 282 281   -0.32550
 H       1.11014  1    116.78826  1    314.80652  1   283 282 281    0.09470
 C       1.54394  1    107.44882  1    183.29079  1   282 281 279   -0.15580
 C       1.52547  1    105.71395  1    351.68035  1   286 282 281   -0.16850
 C       1.53868  1    106.46863  1     12.29531  1   287 286 282   -0.05010
 H       1.12528  1    109.61568  1    106.82057  1   288 287 286    0.06850
 H       1.13282  1    110.95287  1    227.37497  1   288 287 286    0.19200
 H       1.11694  1    111.49967  1    132.96277  1   287 286 282    0.07650
 H       1.11999  1    110.87964  1    253.09493  1   287 286 282    0.11660
 H       1.11778  1    110.62300  1    111.68524  1   286 282 281    0.07190
 H       1.11735  1    109.82126  1    231.02518  1   286 282 281    0.10530
 H       1.13158  1    109.79491  1     63.05568  1   282 281 279    0.13390
 C       1.54661  1    114.93820  1    334.00244  1   278 277   3   -0.18840
 C       1.48940  1    111.03033  1    304.76334  1   296 278 277   -0.07640
 C       1.40093  1    120.67437  1    300.64411  1   297 296 278   -0.13820
 C       1.39366  1    120.33293  1    180.13961  1   298 297 296   -0.15340
 C       1.39445  1    120.09470  1      0.40248  1   299 298 297   -0.15970
 C       1.39412  1    119.79987  1      0.30696  1   300 299 298   -0.13110
 C       1.39494  1    120.42006  1    359.44096  1   301 300 299   -0.10050
 H       1.11386  1    120.02834  1    178.79239  1   302 301 300    0.21880
 H       1.09968  1    120.31962  1    178.70419  1   301 300 299    0.12870
 H       1.09844  1    119.97416  1    179.55872  1   300 299 298    0.10390
 H       1.09864  1    119.77855  1    179.66409  1   299 298 297    0.10790
 H       1.10027  1    119.79576  1    358.97971  1   298 297 296    0.13150
 H       1.12972  1    110.23351  1     66.48989  1   296 278 277    0.16000
 H       1.12140  1    108.56259  1    184.49630  1   296 278 277    0.11330
 H       1.13994  1    106.23608  1    216.16489  1   278 277   3    0.11870
 H       1.00451  1     98.06876  1    302.82606  1   277   3   2    0.15400
 H       1.00555  1     60.46933  1    196.77498  1   277   3   2    0.15410
 N      11.50103  0     41.84600  0    249.35006  0     3   2   1   -0.33960
 C       1.46571  0     95.67219  0    122.02735  0   313   3   2   -0.09540
 C       1.53380  0    108.58586  0    148.98325  0   314 313   3    0.20170
 O       1.23462  0    124.42499  0    138.84525  0   315 314 313   -0.31530
 H       1.11512  1    115.06939  1    317.53319  1   315 314 313    0.08330
 C       1.54304  1    116.52513  1     25.75676  1   314 313   3   -0.13290
 C       1.51429  1    110.14679  1    188.95529  1   318 314 313   -0.21280
 H       1.11748  1    110.38572  1     66.56266  1   319 318 314    0.07370
 H       1.11765  1    109.99402  1    186.02715  1   319 318 314    0.08410
 H       1.11685  1    110.80764  1    306.32002  1   319 318 314    0.07520
 C       1.51553  1    111.04388  1    310.78406  1   318 314 313   -0.22980
 H       1.11967  1    110.99269  1     71.97087  1   323 318 314    0.08520
 H       1.11980  1    110.10615  1    191.26040  1   323 318 314    0.10250
 H       1.11757  1    110.80488  1    311.24452  1   323 318 314    0.07690
 H       1.12790  1    108.39068  1     69.54985  1   318 314 313    0.10050
 H       1.13064  1    106.29455  1    265.77924  1   314 313   3    0.12090
 H       1.00355  1     21.60928  1    348.01447  1   313   3   2    0.17200
 H       1.00165  1    100.26802  1    233.96379  1   313   3   2    0.14520
 N      14.72332  0    119.88957  0    302.81367  0     3   2   1   -0.33800
 C       1.45021  0     37.30719  0    306.75107  0   331   3   2   -0.07830
 C       1.54346  0    110.63712  0    180.33963  0   332 331   3    0.15290
 O       1.24270  0    122.55259  0    311.49323  0   333 332 331   -0.33670
 H       1.11010  1    115.35651  1    133.06772  1   333 332 331    0.11990
 C       1.52861  1    110.34280  1     58.02678  1   332 331   3   -0.21120
 C       1.51179  1    115.87085  1    186.01855  1   336 332 331    0.30950
 O       1.26733  1    122.52907  1     19.69888  1   337 336 332   -0.59100
 O       1.27252  1    116.74537  1    198.36103  1   337 336 332   -0.58790
 H       1.12429  1    108.70746  1    305.20151  1   336 332 331    0.11240
 H       1.12195  1    109.76743  1     63.34109  1   336 332 331    0.08450
 H       1.12896  1    108.51338  1    298.67486  1   332 331   3    0.14460
 H       1.00231  1    102.50308  1     54.54494  1   331   3   2    0.13610
 H       1.00198  1    143.33342  1    268.05993  1   331   3   2    0.12910
 N      12.38036  0    104.96082  0    284.46983  0     3   2   1   -0.36430
 C       1.45859  0     70.22530  0    354.34928  0   345   3   2   -0.02970
 C       1.51962  0    111.83760  0    117.38431  0   346 345   3    0.28250
 O       1.23555  0    119.95914  0    119.13348  0   347 346 345   -0.42360
 N       1.36644  0    116.12883  0    297.27396  0   347 346 345   -0.36670
 C       1.45852  0    122.03281  0    181.45509  0   349 347 346   -0.04240
 C       1.52059  0    119.21913  0    241.02480  0   350 349 347    0.19620
 O       1.22034  0    112.83439  0    233.01771  0   351 350 349   -0.29690
 H       1.10278  1    120.67117  1     53.68692  1   351 350 349    0.10840
 C       1.54797  1    110.16055  1    113.17277  1   350 349 347   -0.15620
 C       1.51975  1    113.52402  1    294.15009  1   354 350 349   -0.11360
 C       1.51682  1    109.34010  1    170.89267  1   355 354 350   -0.20740
 H       1.11638  1    110.58477  1     58.71205  1   356 355 354    0.06000
 H       1.11808  1    110.37255  1    178.87540  1   356 355 354    0.06900
 H       1.11735  1    110.35582  1    298.66119  1   356 355 354    0.08800
 C       1.51461  1    111.65233  1    293.06996  1   355 354 350   -0.21190
 H       1.11795  1    110.44146  1     67.61105  1   360 355 354    0.08610
 H       1.11813  1    110.39353  1    186.78923  1   360 355 354    0.06680
 H       1.11655  1    110.72048  1    306.91356  1   360 355 354    0.05130
 H       1.12764  1    109.31215  1     52.62499  1   355 354 350    0.09920
 H       1.12313  1    108.51771  1     57.13479  1   354 350 349    0.12540
 H       1.12177  1    108.81093  1    173.83192  1   354 350 349    0.08400
 H       1.14036  1    106.34167  1    357.65799  1   350 349 347    0.10630
 H       1.00313  1    121.45650  1    358.95462  1   349 347 346    0.28590
 C       1.53778  1    113.63616  1    353.53926  1   346 345   3   -0.17430
 C       1.52337  1    113.44725  1    304.12876  1   369 346 345   -0.10060
 C       1.51834  1    112.82811  1     86.52588  1   370 369 346   -0.21740
 H       1.11925  1    111.65069  1     25.40995  1   371 370 369    0.10910
 H       1.11852  1    110.42855  1    145.75502  1   371 370 369    0.06820
 H       1.11690  1    110.63126  1    265.17659  1   371 370 369    0.08330
 C       1.51670  1    109.36241  1    209.22346  1   370 369 346   -0.20950
 H       1.11749  1    110.46408  1     54.84487  1   375 370 369    0.05210
 H       1.11851  1    110.47563  1    174.86353  1   375 370 369    0.06800
 H       1.11691  1    110.38606  1    294.37882  1   375 370 369    0.09390
 H       1.12452  1    108.25930  1    327.24300  1   370 369 346    0.07630
 H       1.12314  1    110.36765  1     66.13819  1   369 346 345    0.10530
 H       1.12327  1    107.28405  1    182.60113  1   369 346 345    0.08210
 H       1.13218  1    106.57634  1    233.89403  1   346 345   3    0.10540
 H       1.00590  1     42.57038  1    158.57848  1   345   3   2    0.20020
 H       1.00068  1    135.86187  1     94.69227  1   345   3   2    0.13790
 N      10.68735  0    128.65141  0    312.98371  0     3   2   1   -0.34850
 C       1.48631  0     40.52725  0     11.00505  0   385   3   2   -0.06020
 C       1.53547  0    112.47589  0     77.79441  0   386 385   3    0.27670
 O       1.24135  0    121.32684  0    140.32846  0   387 386 385   -0.36140
 N       1.30757  0    113.87122  0    319.51944  0   387 386 385   -0.36360
 C       1.46212  0    123.58756  0    180.87103  0   389 387 386   -0.04720
 C       1.53121  0    108.52389  0    269.83224  0   390 389 387    0.18120
 O       1.23565  0    121.25330  0    262.58399  0   391 390 389   -0.31630
 H       1.10946  1    115.96457  1     81.68180  1   391 390 389    0.10800
 C       1.52973  1    114.29047  1    146.59843  1   390 389 387   -0.12920
 C       1.48591  1    114.82291  1    302.10435  1   394 390 389   -0.09310
 C       1.40047  1    121.97891  1    315.82635  1   395 394 390   -0.12750
 C       1.39399  1    120.67516  1    181.85705  1   396 395 394   -0.10310
 C       1.39586  1    119.78363  1      0.57284  1   397 396 395   -0.12090
 C       1.39177  1    120.00445  1    359.66523  1   398 397 396   -0.15380
 C       1.39453  1    120.18837  1    359.73573  1   399 398 397   -0.14510
 H       1.09903  1    119.82458  1    180.77626  1   400 399 398    0.11440
 H       1.09898  1    120.11529  1    180.83049  1   399 398 397    0.11240
 H       1.10047  1    119.48991  1    180.35231  1   398 397 396    0.14170
 H       1.11125  1    120.30820  1    180.97871  1   397 396 395    0.20480
 H       1.10140  1    120.13443  1      2.66245  1   396 395 394    0.14130
 H       1.12443  1    108.91219  1     66.38926  1   394 390 389    0.09940
 H       1.12493  1    106.82989  1    181.54050  1   394 390 389    0.09410
 H       1.13496  1    107.52405  1     25.37719  1   390 389 387    0.13770
 H       0.99651  1    121.67701  1    346.89133  1   389 387 386    0.23550
 C       1.53915  1    111.75575  1    312.83440  1   386 385   3   -0.07710
 C       1.47278  1    109.17944  1    187.75897  1   410 386 385   -0.14840
 N       1.39749  1    124.07389  1     91.48276  1   411 410 386   -0.16010
 C       1.39204  1    106.59666  1    187.36262  1   412 411 410   -0.09140
 N       1.35532  1    111.64336  1    358.27822  1   413 412 411   -0.15480
 C       1.38590  1    105.80149  1      0.22340  1   414 413 412   -0.18430
 H       1.08896  1    121.83269  1    181.50726  1   415 414 413    0.16080
 H       1.09382  1    123.03216  1    180.60326  1   413 412 411    0.18770
 H       1.00053  1    124.74528  1    355.50602  1   412 411 410    0.30250
 H       1.12845  1    108.31615  1    307.87807  1   410 386 385    0.14600
 H       1.12082  1    110.64474  1     66.71516  1   410 386 385    0.07710
 H       1.13378  1    106.45999  1    195.20554  1   386 385   3    0.16630
 H       0.99886  1     71.07182  1    197.89514  1   385   3   2    0.14150
 H       0.99772  1    122.46330  1     95.46665  1   385   3   2    0.13840
 O       3.37296  0    100.11538  0    322.17998  0     3   2   1   -0.43170
 H       0.96560  1     61.59285  1    314.28056  1   424   3   2    0.22210
 H       0.96203  1    162.52386  1    287.90328  1   424   3   2    0.20410

