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 C       1.54222  1    113.73416  1    314.59934  1   230 229   3   -0.14330
 C       1.48632  1    112.51627  1    213.50806  1   234 230 229   -0.09970
 C       1.39903  1    120.51874  1    248.09349  1   235 234 230   -0.11920
 C       1.39467  1    120.25539  1    181.59330  1   236 235 234   -0.11880
 C       1.39529  1    120.11918  1      0.35654  1   237 236 235   -0.14320
 C       1.39701  1    119.82395  1    359.76504  1   238 237 236   -0.13630
 C       1.39342  1    120.13607  1    359.76725  1   239 238 237   -0.13390
 H       1.09932  1    119.99686  1    179.98403  1   240 239 238    0.11400
 H       1.10017  1    119.91028  1    179.44118  1   239 238 237    0.13310
 H       1.10543  1    119.68953  1    178.95378  1   238 237 236    0.17290
 H       1.10701  1    119.88947  1    180.34421  1   237 236 235    0.17880
 H       1.10057  1    120.25775  1      1.17801  1   236 235 234    0.13680
 H       1.12492  1    109.52386  1    333.65874  1   234 230 229    0.08330
 H       1.12283  1    109.48134  1     90.44546  1   234 230 229    0.09050
 H       1.13073  1    106.81382  1    194.26082  1   230 229   3    0.14050
 H       1.00138  1    117.40275  1      6.12757  1   229   3   2    0.14560
 H       1.00165  1     71.24613  1    264.47642  1   229   3   2    0.13160
 N      10.63207  0    157.78032  0    247.22641  0     3   2   1   -0.32320
 C       1.45686  0     61.45363  0     72.53461  0   251   3   2   -0.11470
 C       1.53079  0    114.33401  0    108.37627  0   252 251   3    0.19280
 O       1.24202  0    122.12129  0    166.61502  0   253 252 251   -0.30040
 H       1.11133  1    116.73469  1    347.88098  1   253 252 251    0.08110
 C       1.53920  1    115.19645  1    337.70822  1   252 251   3   -0.10280
 C       1.46977  1    109.09759  1    290.91468  1   256 252 251   -0.17410
 C       1.39162  1    127.33637  1    104.34887  1   257 256 252   -0.07250
 N       1.40240  1    110.62737  1    185.09081  1   258 257 256   -0.20680
 C       1.40705  1    107.55470  1    355.91302  1   259 258 257   -0.02520
 C       1.44422  1    108.33286  1      3.78401  1   260 259 258   -0.07110
 C       1.39464  1    119.57249  1    177.66535  1   261 260 259   -0.09580
 C       1.38776  1    118.82596  1    359.66336  1   262 261 260   -0.14170
 C       1.40577  1    121.38086  1      0.05383  1   263 262 261   -0.10300
 C       1.38822  1    121.48720  1      0.36694  1   264 263 262   -0.15520
 H       1.09825  1    121.18286  1    179.25084  1   265 264 263    0.13290
 H       1.10428  1    118.57645  1    180.25086  1   264 263 262    0.16140
 H       1.10081  1    119.85585  1    179.36119  1   263 262 261    0.14260
 H       1.09978  1    120.12192  1    178.96901  1   262 261 260    0.13730
 H       0.98983  1    122.76638  1    203.87244  1   259 258 257    0.24040
 H       1.09422  1    129.15580  1      2.66042  1   258 257 256    0.16700
 H       1.12176  1    110.39072  1     52.45764  1   256 252 251    0.07960
 H       1.12380  1    108.76185  1    171.03855  1   256 252 251    0.11780
 H       1.14166  1    105.33169  1    221.62389  1   252 251   3    0.13400
 H       1.00481  1     90.11434  1    321.50854  1   251   3   2    0.16700
 H       1.00385  1     60.49099  1    211.45201  1   251   3   2    0.12970
 N       8.67740  0     38.22060  0    193.99078  0     3   2   1   -0.34270
 C       1.42114  0     58.23409  0     50.35430  0   277   3   2   -0.04320
 C       1.53309  0    116.04025  0    101.50935  0   278 277   3    0.33260
 O       1.21854  0    114.35152  0    130.77104  0   279 278 277   -0.41530
 N       1.34627  0    124.98155  0    307.65807  0   279 278 277   -0.30230
 C       1.44346  0    119.05048  0    178.55598  0   281 279 278   -0.04600
 C       1.53151  0    110.56490  0    303.77749  0   282 281 279    0.19680
 O       1.24540  0    121.78839  0    134.73572  0   283 282 281   -0.33500
 H       1.11081  1    117.09070  1    315.04776  1   283 282 281    0.08220
 C       1.54256  1    107.47669  1    182.73619  1   282 281 279   -0.15300
 C       1.52549  1    105.71848  1    351.06238  1   286 282 281   -0.16550
 C       1.53954  1    106.65024  1     11.17954  1   287 286 282   -0.04150
 H       1.12569  1    109.46023  1    109.51973  1   288 287 286    0.06300
 H       1.13289  1    111.07153  1    229.60289  1   288 287 286    0.17860
 H       1.11708  1    111.49555  1    131.84467  1   287 286 282    0.06630
 H       1.11988  1    110.53548  1    251.99371  1   287 286 282    0.12050
 H       1.11766  1    110.92407  1    111.20545  1   286 282 281    0.06020
 H       1.11777  1    109.45163  1    230.75326  1   286 282 281    0.11420
 H       1.14043  1    109.12355  1     63.58167  1   282 281 279    0.18050
 C       1.54525  1    115.25633  1    333.39019  1   278 277   3   -0.19220
 C       1.48925  1    111.11364  1    303.38623  1   296 278 277   -0.06950
 C       1.40072  1    120.69377  1    298.89795  1   297 296 278   -0.13640
 C       1.39373  1    120.41416  1    180.12226  1   298 297 296   -0.15600
 C       1.39445  1    120.04117  1      0.39875  1   299 298 297   -0.16230
 C       1.39437  1    119.78642  1      0.35069  1   300 299 298   -0.13940
 C       1.39481  1    120.47494  1    359.45033  1   301 300 299   -0.10080
 H       1.11397  1    120.20851  1    178.58556  1   302 301 300    0.21890
 H       1.09961  1    120.23548  1    178.68727  1   301 300 299    0.12640
 H       1.09832  1    120.00541  1    179.65888  1   300 299 298    0.10100
 H       1.09849  1    119.83001  1    179.75410  1   299 298 297    0.10460
 H       1.10047  1    119.65421  1    359.07190  1   298 297 296    0.13340
 H       1.12950  1    110.21943  1     65.32480  1   296 278 277    0.16230
 H       1.12164  1    108.35246  1    183.22784  1   296 278 277    0.12020
 H       1.14046  1    105.98091  1    215.90732  1   278 277   3    0.11310
 H       1.00463  1     96.97368  1    302.15076  1   277   3   2    0.14750
 H       1.00546  1     60.96769  1    195.73427  1   277   3   2    0.15300
 N      11.50103  0     41.84600  0    249.35006  0     3   2   1   -0.33460
 C       1.46571  0     95.67219  0    122.02735  0   313   3   2   -0.09340
 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    115.08734  1    316.82900  1   315 314 313    0.08250
 C       1.54389  1    117.78267  1     27.55597  1   314 313   3   -0.13600
 C       1.51582  1    109.96427  1    188.91755  1   318 314 313   -0.21170
 H       1.11730  1    110.30409  1     66.23351  1   319 318 314    0.06900
 H       1.11760  1    109.93164  1    185.58780  1   319 318 314    0.07950
 H       1.11668  1    111.09603  1    305.89830  1   319 318 314    0.07080
 C       1.51122  1    111.77523  1    310.83572  1   318 314 313   -0.22720
 H       1.12013  1    111.28433  1     69.60204  1   323 318 314    0.10390
 H       1.11998  1    110.30802  1    188.00449  1   323 318 314    0.11070
 H       1.11730  1    110.73291  1    308.12457  1   323 318 314    0.06850
 H       1.12803  1    108.19615  1     70.23081  1   318 314 313    0.10000
 H       1.12945  1    106.33651  1    266.53030  1   314 313   3    0.11810
 H       1.00347  1     20.10822  1    344.75805  1   313   3   2    0.17460
 H       1.00277  1    101.30947  1    233.90274  1   313   3   2    0.14290
 N      14.72332  0    119.88957  0    302.81367  0     3   2   1   -0.32510
 C       1.45021  0     37.30719  0    306.75107  0   331   3   2   -0.08200
 C       1.54346  0    110.63712  0    180.33963  0   332 331   3    0.14240
 O       1.24270  0    122.55259  0    311.49323  0   333 332 331   -0.33390
 H       1.11051  1    115.55679  1    133.01741  1   333 332 331    0.11770
 C       1.53127  1    109.35754  1     59.65096  1   332 331   3   -0.19820
 C       1.51125  1    115.16619  1    187.57402  1   336 332 331    0.30590
 O       1.26748  1    122.47741  1     17.32766  1   337 336 332   -0.58900
 O       1.27425  1    117.22551  1    195.98951  1   337 336 332   -0.59510
 H       1.12365  1    108.86173  1    306.85236  1   336 332 331    0.11470
 H       1.12142  1    109.80296  1     64.94879  1   336 332 331    0.08500
 H       1.12735  1    109.64233  1    300.20206  1   332 331   3    0.14590
 H       1.00301  1    121.10064  1     28.65185  1   331   3   2    0.13820
 H       1.00191  1    126.83273  1    233.21709  1   331   3   2    0.12240
 N      12.38036  0    104.96082  0    284.46983  0     3   2   1   -0.36640
 C       1.45859  0     70.22530  0    354.34928  0   345   3   2   -0.02670
 C       1.51962  0    111.83760  0    117.38431  0   346 345   3    0.27870
 O       1.23555  0    119.95914  0    119.13348  0   347 346 345   -0.41950
 N       1.36644  0    116.12883  0    297.27396  0   347 346 345   -0.36790
 C       1.45852  0    122.03281  0    181.45509  0   349 347 346   -0.04410
 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   -0.29780
 H       1.10284  1    120.68134  1     53.69884  1   351 350 349    0.11060
 C       1.54959  1    109.79759  1    114.27011  1   350 349 347   -0.15680
 C       1.51993  1    114.27394  1    300.71062  1   354 350 349   -0.11220
 C       1.51653  1    109.42101  1    169.32756  1   355 354 350   -0.20250
 H       1.11649  1    110.58802  1     57.24473  1   356 355 354    0.05860
 H       1.11803  1    110.44307  1    177.33123  1   356 355 354    0.06760
 H       1.11713  1    110.31468  1    297.17438  1   356 355 354    0.08000
 C       1.51398  1    111.50008  1    291.70493  1   355 354 350   -0.20990
 H       1.11813  1    110.24369  1     64.32404  1   360 355 354    0.09060
 H       1.11787  1    110.26412  1    183.66841  1   360 355 354    0.06880
 H       1.11642  1    110.74477  1    303.75847  1   360 355 354    0.05080
 H       1.12759  1    109.69927  1     51.48092  1   355 354 350    0.09750
 H       1.12368  1    108.00805  1     63.24500  1   354 350 349    0.12380
 H       1.12156  1    108.33071  1    179.66442  1   354 350 349    0.08050
 H       1.13943  1    106.50962  1    358.54037  1   350 349 347    0.10940
 H       1.00273  1    121.62399  1    359.86491  1   349 347 346    0.28340
 C       1.53948  1    113.51825  1    354.53429  1   346 345   3   -0.17620
 C       1.52179  1    114.03649  1    302.68172  1   369 346 345   -0.09710
 C       1.51815  1    112.86628  1     82.47734  1   370 369 346   -0.22040
 H       1.11934  1    111.59851  1     26.55712  1   371 370 369    0.10760
 H       1.11770  1    110.31373  1    146.95406  1   371 370 369    0.07160
 H       1.11683  1    110.61321  1    266.07339  1   371 370 369    0.08380
 C       1.51719  1    109.35322  1    205.04533  1   370 369 346   -0.21230
 H       1.11822  1    110.77730  1     49.64044  1   375 370 369    0.05650
 H       1.11843  1    110.47050  1    170.09748  1   375 370 369    0.07540
 H       1.11715  1    110.41429  1    289.76339  1   375 370 369    0.08810
 H       1.12338  1    108.17013  1    322.95733  1   370 369 346    0.07490
 H       1.12332  1    110.38060  1     64.70500  1   369 346 345    0.10140
 H       1.12381  1    107.05811  1    181.22745  1   369 346 345    0.08210
 H       1.13102  1    106.88963  1    234.44567  1   346 345   3    0.10960
 H       1.00566  1     43.90308  1    153.39923  1   345   3   2    0.20130
 H       1.00052  1    140.14454  1     93.75468  1   345   3   2    0.13820
 N      10.68735  0    128.65141  0    312.98371  0     3   2   1   -0.34810
 C       1.48631  0     40.52725  0     11.00505  0   385   3   2   -0.05700
 C       1.53547  0    112.47589  0     77.79441  0   386 385   3    0.27930
 O       1.24135  0    121.32684  0    140.32846  0   387 386 385   -0.37270
 N       1.30757  0    113.87122  0    319.51944  0   387 386 385   -0.35920
 C       1.46212  0    123.58756  0    180.87103  0   389 387 386   -0.04610
 C       1.53121  0    108.52389  0    269.83224  0   390 389 387    0.17940
 O       1.23565  0    121.25330  0    262.58399  0   391 390 389   -0.31130
 H       1.10938  1    115.93235  1     81.63136  1   391 390 389    0.10710
 C       1.53229  1    114.04769  1    145.72394  1   390 389 387   -0.12760
 C       1.48704  1    112.27372  1    307.36933  1   394 390 389   -0.09720
 C       1.40122  1    120.73241  1    299.08011  1   395 394 390   -0.13360
 C       1.39431  1    120.53349  1    178.33382  1   396 395 394   -0.10940
 C       1.39628  1    119.73790  1      0.96533  1   397 396 395   -0.11250
 C       1.39392  1    120.00886  1      0.13384  1   398 397 396   -0.14580
 C       1.39407  1    120.24838  1    359.37969  1   399 398 397   -0.14910
 H       1.09971  1    119.87241  1    181.28298  1   400 399 398    0.12060
 H       1.10005  1    119.99983  1    180.62875  1   399 398 397    0.12360
 H       1.10218  1    119.62822  1    181.67048  1   398 397 396    0.14840
 H       1.10988  1    120.56996  1    182.40051  1   397 396 395    0.19300
 H       1.10038  1    119.80785  1    359.84894  1   396 395 394    0.13280
 H       1.12327  1    109.28986  1     70.54038  1   394 390 389    0.10040
 H       1.12281  1    107.35750  1    186.73420  1   394 390 389    0.09320
 H       1.13515  1    107.47364  1     25.56179  1   390 389 387    0.13330
 H       0.99715  1    121.61194  1    346.09197  1   389 387 386    0.23710
 C       1.53767  1    110.21102  1    313.24868  1   386 385   3   -0.08510
 C       1.47121  1    112.20775  1    187.60283  1   410 386 385   -0.12020
 N       1.39575  1    124.19666  1     83.08337  1   411 410 386   -0.15150
 C       1.38885  1    106.81781  1    180.02443  1   412 411 410   -0.10770
 N       1.35709  1    111.49486  1    359.09688  1   413 412 411   -0.20490
 C       1.38681  1    105.86330  1      0.33750  1   414 413 412   -0.19290
 H       1.09055  1    121.97777  1    181.24704  1   415 414 413    0.16970
 H       1.09449  1    123.15036  1    180.08529  1   413 412 411    0.19110
 H       1.00303  1    125.30006  1    355.90960  1   412 411 410    0.31390
 H       1.13113  1    107.70323  1    307.91951  1   410 386 385    0.15050
 H       1.12203  1    110.28760  1     66.05684  1   410 386 385    0.08280
 H       1.13305  1    106.88345  1    195.71078  1   386 385   3    0.16710
 H       0.99874  1     71.09108  1    195.66447  1   385   3   2    0.14310
 H       0.99755  1    124.06371  1     93.40298  1   385   3   2    0.14070
 O       3.37296  0    100.11538  0    322.17998  0     3   2   1   -0.41670
 H       0.96409  1     66.17438  1    285.97354  1   424   3   2    0.21800
 H       0.95958  1    169.04311  1    268.07774  1   424   3   2    0.19450

