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 C       1.48640  1    112.45139  1    213.44766  1   234 230 229   -0.09890
 C       1.39873  1    120.50587  1    248.51692  1   235 234 230   -0.11960
 C       1.39491  1    120.22041  1    181.62876  1   236 235 234   -0.11990
 C       1.39519  1    120.12278  1      0.21459  1   237 236 235   -0.14350
 C       1.39607  1    119.82169  1    359.90132  1   238 237 236   -0.13550
 C       1.39315  1    120.13186  1    359.82401  1   239 238 237   -0.13350
 H       1.09931  1    120.00453  1    179.99655  1   240 239 238    0.11400
 H       1.10014  1    119.88800  1    179.52417  1   239 238 237    0.13310
 H       1.10541  1    119.69345  1    179.04663  1   238 237 236    0.17240
 H       1.10701  1    119.88511  1    180.41804  1   237 236 235    0.17910
 H       1.10057  1    120.27198  1      1.18520  1   236 235 234    0.13680
 H       1.12485  1    109.53639  1    333.79379  1   234 230 229    0.08340
 H       1.12293  1    109.47077  1     90.52875  1   234 230 229    0.09040
 H       1.13092  1    106.75832  1    194.15270  1   230 229   3    0.14040
 H       1.00139  1    117.41657  1      6.13748  1   229   3   2    0.14550
 H       1.00165  1     71.24296  1    264.50356  1   229   3   2    0.13150
 N      10.63207  0    157.78032  0    247.22641  0     3   2   1   -0.32280
 C       1.45686  0     61.45363  0     72.53461  0   251   3   2   -0.11490
 C       1.53079  0    114.33401  0    108.37627  0   252 251   3    0.19260
 O       1.24202  0    122.12129  0    166.61502  0   253 252 251   -0.30050
 H       1.11135  1    116.74384  1    347.87589  1   253 252 251    0.08080
 C       1.53918  1    115.40182  1    337.77144  1   252 251   3   -0.10240
 C       1.46961  1    109.08703  1    290.97760  1   256 252 251   -0.17400
 C       1.39162  1    127.32731  1    104.79481  1   257 256 252   -0.07300
 N       1.40223  1    110.62123  1    185.05477  1   258 257 256   -0.20630
 C       1.40678  1    107.57850  1    355.78770  1   259 258 257   -0.02520
 C       1.44404  1    108.30077  1      4.01373  1   260 259 258   -0.07100
 C       1.39454  1    119.58975  1    177.55196  1   261 260 259   -0.09590
 C       1.38791  1    118.83117  1    359.70733  1   262 261 260   -0.14180
 C       1.40600  1    121.39078  1      0.06789  1   263 262 261   -0.10270
 C       1.38824  1    121.44685  1      0.24953  1   264 263 262   -0.15520
 H       1.09837  1    121.16408  1    179.32897  1   265 264 263    0.13280
 H       1.10421  1    118.61028  1    180.25451  1   264 263 262    0.16140
 H       1.10078  1    119.84713  1    179.38179  1   263 262 261    0.14240
 H       1.09976  1    120.12113  1    179.02649  1   262 261 260    0.13690
 H       0.98993  1    122.68282  1    203.86064  1   259 258 257    0.24030
 H       1.09422  1    129.16489  1      2.70646  1   258 257 256    0.16690
 H       1.12166  1    110.40040  1     52.32977  1   256 252 251    0.07940
 H       1.12390  1    108.72919  1    171.12148  1   256 252 251    0.11830
 H       1.14174  1    105.31573  1    221.57724  1   252 251   3    0.13390
 H       1.00481  1     90.14434  1    321.53125  1   251   3   2    0.16710
 H       1.00386  1     60.46799  1    211.49500  1   251   3   2    0.12960
 N       8.67740  0     38.22060  0    193.99078  0     3   2   1   -0.34180
 C       1.42114  0     58.23409  0     50.35430  0   277   3   2   -0.04310
 C       1.53309  0    116.04025  0    101.50935  0   278 277   3    0.33230
 O       1.21854  0    114.35152  0    130.77104  0   279 278 277   -0.41360
 N       1.34627  0    124.98155  0    307.65807  0   279 278 277   -0.30340
 C       1.44346  0    119.05048  0    178.55598  0   281 279 278   -0.04340
 C       1.53151  0    110.56490  0    303.77749  0   282 281 279    0.19670
 O       1.24540  0    121.78839  0    134.73572  0   283 282 281   -0.33350
 H       1.11069  1    117.03525  1    315.02344  1   283 282 281    0.08360
 C       1.54249  1    107.47664  1    182.68848  1   282 281 279   -0.15420
 C       1.52438  1    105.71941  1    350.80264  1   286 282 281   -0.16540
 C       1.53941  1    106.51774  1     11.07359  1   287 286 282   -0.04190
 H       1.12549  1    109.46293  1    109.58734  1   288 287 286    0.06320
 H       1.13307  1    111.11467  1    229.65849  1   288 287 286    0.17860
 H       1.11707  1    111.47239  1    131.75770  1   287 286 282    0.06730
 H       1.11989  1    110.55162  1    251.88497  1   287 286 282    0.12050
 H       1.11763  1    110.83161  1    111.27972  1   286 282 281    0.06170
 H       1.11781  1    109.52277  1    230.80607  1   286 282 281    0.11370
 H       1.13900  1    109.18913  1     63.49007  1   282 281 279    0.17420
 C       1.54534  1    115.51066  1    333.40961  1   278 277   3   -0.19210
 C       1.48920  1    110.90111  1    303.53386  1   296 278 277   -0.07020
 C       1.40068  1    120.60156  1    297.45755  1   297 296 278   -0.13560
 C       1.39375  1    120.39352  1    180.30805  1   298 297 296   -0.15630
 C       1.39442  1    120.04208  1      0.54930  1   299 298 297   -0.16190
 C       1.39448  1    119.79168  1      0.47039  1   300 299 298   -0.13970
 C       1.39475  1    120.48010  1    359.49879  1   301 300 299   -0.10280
 H       1.11409  1    120.32788  1    178.07945  1   302 301 300    0.22150
 H       1.09959  1    120.21957  1    178.47401  1   301 300 299    0.12590
 H       1.09832  1    120.00992  1    179.68651  1   300 299 298    0.10080
 H       1.09850  1    119.83107  1    179.83446  1   299 298 297    0.10470
 H       1.10054  1    119.64127  1    359.23861  1   298 297 296    0.13390
 H       1.12952  1    110.21417  1     65.38226  1   296 278 277    0.16210
 H       1.12144  1    108.42467  1    183.30201  1   296 278 277    0.12070
 H       1.14065  1    105.94200  1    215.92653  1   278 277   3    0.11360
 H       1.00466  1     96.86936  1    302.08117  1   277   3   2    0.14740
 H       1.00551  1     61.01666  1    195.62071  1   277   3   2    0.15290
 N      11.50103  0     41.84600  0    249.35006  0     3   2   1   -0.33490
 C       1.46571  0     95.67219  0    122.02735  0   313   3   2   -0.09380
 C       1.53380  0    108.58586  0    148.98325  0   314 313   3    0.20020
 O       1.23462  0    124.42499  0    138.84525  0   315 314 313   -0.32420
 H       1.11529  1    115.08983  1    316.83401  1   315 314 313    0.08220
 C       1.54416  1    117.72242  1     27.73745  1   314 313   3   -0.13600
 C       1.51573  1    109.92372  1    189.10792  1   318 314 313   -0.21110
 H       1.11728  1    110.30047  1     66.02304  1   319 318 314    0.06940
 H       1.11763  1    109.94253  1    185.34232  1   319 318 314    0.08000
 H       1.11669  1    111.06813  1    305.68698  1   319 318 314    0.07040
 C       1.51106  1    111.83895  1    311.04326  1   318 314 313   -0.22810
 H       1.11995  1    111.27204  1     69.35596  1   323 318 314    0.10110
 H       1.12014  1    110.33123  1    187.73185  1   323 318 314    0.11340
 H       1.11717  1    110.73669  1    307.86614  1   323 318 314    0.06990
 H       1.12799  1    108.16044  1     70.00755  1   318 314 313    0.09870
 H       1.12934  1    106.36504  1    266.61784  1   314 313   3    0.11890
 H       1.00340  1     20.17845  1    344.84859  1   313   3   2    0.17480
 H       1.00273  1    101.30061  1    233.88661  1   313   3   2    0.14250
 N      14.72332  0    119.88957  0    302.81367  0     3   2   1   -0.32570
 C       1.45021  0     37.30719  0    306.75107  0   331   3   2   -0.08170
 C       1.54346  0    110.63712  0    180.33963  0   332 331   3    0.14250
 O       1.24270  0    122.55259  0    311.49323  0   333 332 331   -0.33380
 H       1.11051  1    115.55619  1    133.04825  1   333 332 331    0.11780
 C       1.53118  1    109.30007  1     59.69933  1   332 331   3   -0.19820
 C       1.51114  1    115.19672  1    187.59459  1   336 332 331    0.30560
 O       1.26754  1    122.48800  1     17.26823  1   337 336 332   -0.58920
 O       1.27422  1    117.22497  1    195.97654  1   337 336 332   -0.59480
 H       1.12367  1    108.86644  1    306.86537  1   336 332 331    0.11450
 H       1.12146  1    109.78686  1     64.97866  1   336 332 331    0.08500
 H       1.12730  1    109.65537  1    300.22629  1   332 331   3    0.14590
 H       1.00297  1    121.18976  1     28.56243  1   331   3   2    0.13840
 H       1.00192  1    126.75374  1    233.08846  1   331   3   2    0.12240
 N      12.38036  0    104.96082  0    284.46983  0     3   2   1   -0.36620
 C       1.45859  0     70.22530  0    354.34928  0   345   3   2   -0.02710
 C       1.51962  0    111.83760  0    117.38431  0   346 345   3    0.27880
 O       1.23555  0    119.95914  0    119.13348  0   347 346 345   -0.41960
 N       1.36644  0    116.12883  0    297.27396  0   347 346 345   -0.36770
 C       1.45852  0    122.03281  0    181.45509  0   349 347 346   -0.04510
 C       1.52059  0    119.21913  0    241.02480  0   350 349 347    0.19640
 O       1.22034  0    112.83439  0    233.01771  0   351 350 349   -0.29790
 H       1.10282  1    120.66934  1     53.71353  1   351 350 349    0.11050
 C       1.54921  1    109.99117  1    114.06629  1   350 349 347   -0.15400
 C       1.51943  1    114.28585  1    300.60522  1   354 350 349   -0.11330
 C       1.51686  1    109.37807  1    170.23884  1   355 354 350   -0.20340
 H       1.11642  1    110.60579  1     57.06447  1   356 355 354    0.05910
 H       1.11806  1    110.43212  1    177.11304  1   356 355 354    0.06880
 H       1.11717  1    110.32535  1    296.87016  1   356 355 354    0.07920
 C       1.51389  1    111.58181  1    292.57865  1   355 354 350   -0.20990
 H       1.11826  1    110.25223  1     64.52516  1   360 355 354    0.09130
 H       1.11797  1    110.30797  1    183.84524  1   360 355 354    0.06910
 H       1.11638  1    110.69312  1    303.95394  1   360 355 354    0.05030
 H       1.12779  1    109.59711  1     52.25886  1   355 354 350    0.09810
 H       1.12350  1    108.08777  1     63.23782  1   354 350 349    0.12280
 H       1.12164  1    108.25167  1    179.62410  1   354 350 349    0.07960
 H       1.13986  1    106.44279  1    358.30071  1   350 349 347    0.10970
 H       1.00268  1    121.62033  1    359.85454  1   349 347 346    0.28330
 C       1.53949  1    113.60412  1    354.70480  1   346 345   3   -0.17670
 C       1.52152  1    114.15583  1    302.42499  1   369 346 345   -0.09690
 C       1.51797  1    112.84390  1     82.33997  1   370 369 346   -0.22030
 H       1.11934  1    111.57272  1     26.78351  1   371 370 369    0.10700
 H       1.11768  1    110.30609  1    147.19363  1   371 370 369    0.07200
 H       1.11681  1    110.61655  1    266.35885  1   371 370 369    0.08350
 C       1.51739  1    109.32860  1    204.83068  1   370 369 346   -0.21280
 H       1.11818  1    110.80457  1     49.33587  1   375 370 369    0.05730
 H       1.11851  1    110.44101  1    169.82976  1   375 370 369    0.07510
 H       1.11715  1    110.45268  1    289.46704  1   375 370 369    0.08930
 H       1.12334  1    108.16909  1    322.78424  1   370 369 346    0.07430
 H       1.12330  1    110.35368  1     64.44747  1   369 346 345    0.10100
 H       1.12395  1    107.00966  1    180.88052  1   369 346 345    0.08300
 H       1.13100  1    106.89234  1    234.49863  1   346 345   3    0.10990
 H       1.00568  1     43.93067  1    153.28420  1   345   3   2    0.20120
 H       1.00047  1    140.24290  1     93.73661  1   345   3   2    0.13810
 N      10.68735  0    128.65141  0    312.98371  0     3   2   1   -0.34780
 C       1.48631  0     40.52725  0     11.00505  0   385   3   2   -0.05780
 C       1.53547  0    112.47589  0     77.79441  0   386 385   3    0.27970
 O       1.24135  0    121.32684  0    140.32846  0   387 386 385   -0.37290
 N       1.30757  0    113.87122  0    319.51944  0   387 386 385   -0.35930
 C       1.46212  0    123.58756  0    180.87103  0   389 387 386   -0.04510
 C       1.53121  0    108.52389  0    269.83224  0   390 389 387    0.17950
 O       1.23565  0    121.25330  0    262.58399  0   391 390 389   -0.31190
 H       1.10938  1    115.94009  1     81.64141  1   391 390 389    0.10710
 C       1.53237  1    114.24773  1    145.87142  1   390 389 387   -0.12810
 C       1.48752  1    112.42364  1    307.07411  1   394 390 389   -0.09660
 C       1.40127  1    120.72546  1    299.63234  1   395 394 390   -0.13320
 C       1.39435  1    120.53201  1    179.38880  1   396 395 394   -0.10930
 C       1.39628  1    119.73673  1      0.88356  1   397 396 395   -0.11220
 C       1.39391  1    120.00944  1      0.05200  1   398 397 396   -0.14570
 C       1.39394  1    120.25263  1    359.09348  1   399 398 397   -0.14780
 H       1.09968  1    119.87928  1    181.22015  1   400 399 398    0.12060
 H       1.10007  1    119.99127  1    180.85333  1   399 398 397    0.12310
 H       1.10210  1    119.65402  1    181.35309  1   398 397 396    0.14740
 H       1.10975  1    120.58239  1    182.26212  1   397 396 395    0.19160
 H       1.10036  1    119.83140  1      0.25212  1   396 395 394    0.13290
 H       1.12325  1    109.27808  1     70.31063  1   394 390 389    0.10060
 H       1.12299  1    107.31160  1    186.37545  1   394 390 389    0.09340
 H       1.13502  1    107.46831  1     25.59056  1   390 389 387    0.13290
 H       0.99709  1    121.63740  1    346.25488  1   389 387 386    0.23710
 C       1.53777  1    110.15865  1    313.20727  1   386 385   3   -0.08460
 C       1.47176  1    112.28759  1    187.68095  1   410 386 385   -0.11990
 N       1.39558  1    124.22705  1     83.07389  1   411 410 386   -0.14870
 C       1.38895  1    106.84262  1    179.90007  1   412 411 410   -0.10810
 N       1.35732  1    111.49080  1    359.14876  1   413 412 411   -0.20570
 C       1.38682  1    105.84883  1      0.30396  1   414 413 412   -0.19470
 H       1.09048  1    122.02130  1    181.24325  1   415 414 413    0.16920
 H       1.09469  1    123.16475  1    180.18594  1   413 412 411    0.19190
 H       1.00300  1    125.33007  1    356.02895  1   412 411 410    0.31370
 H       1.13118  1    107.67949  1    307.98373  1   410 386 385    0.15080
 H       1.12196  1    110.27154  1     66.11729  1   410 386 385    0.08270
 H       1.13314  1    106.85643  1    195.66511  1   386 385   3    0.16750
 H       0.99874  1     71.09301  1    195.64286  1   385   3   2    0.14310
 H       0.99756  1    124.07377  1     93.36671  1   385   3   2    0.14060
 O       3.37296  0    100.11538  0    322.17998  0     3   2   1   -0.41670
 H       0.96420  1     67.15309  1    283.44518  1   424   3   2    0.21880
 H       0.95962  1    170.07124  1    265.84232  1   424   3   2    0.19380

