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 C       1.39907  1    120.41600  1    243.75788  1   235 234 230   -0.11980
 C       1.39375  1    120.16539  1    182.93864  1   236 235 234   -0.11640
 C       1.39532  1    120.12416  1    359.29289  1   237 236 235   -0.14590
 C       1.39544  1    119.80836  1      0.28036  1   238 237 236   -0.13420
 C       1.39304  1    120.14861  1      0.30253  1   239 238 237   -0.12850
 H       1.09949  1    119.95020  1    179.49029  1   240 239 238    0.11510
 H       1.10019  1    119.87794  1    179.83180  1   239 238 237    0.13410
 H       1.10502  1    119.81793  1    179.72178  1   238 237 236    0.17090
 H       1.10330  1    119.96353  1    178.75096  1   237 236 235    0.16840
 H       1.10066  1    120.23502  1      2.20824  1   236 235 234    0.13820
 H       1.12506  1    109.44232  1    331.93988  1   234 230 229    0.08350
 H       1.12313  1    109.29597  1     88.53316  1   234 230 229    0.08940
 H       1.13057  1    106.90408  1    194.27400  1   230 229   3    0.14060
 H       1.00137  1    117.44063  1      6.11244  1   229   3   2    0.14440
 H       1.00164  1     71.24619  1    264.47188  1   229   3   2    0.13120
 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   -0.11440
 C       1.53079  0    114.33401  0    108.37627  0   252 251   3    0.19490
 O       1.24202  0    122.12129  0    166.61502  0   253 252 251   -0.29900
 H       1.11125  1    116.73883  1    347.71904  1   253 252 251    0.07930
 C       1.53919  1    115.79741  1    338.55771  1   252 251   3   -0.10260
 C       1.46917  1    109.58041  1    291.15307  1   256 252 251   -0.17230
 C       1.39143  1    127.30211  1    110.52066  1   257 256 252   -0.06350
 N       1.40185  1    110.60860  1    183.80703  1   258 257 256   -0.20570
 C       1.40569  1    107.67962  1    355.82993  1   259 258 257   -0.02280
 C       1.44455  1    108.29765  1      3.81128  1   260 259 258   -0.07590
 C       1.39490  1    119.52891  1    177.91226  1   261 260 259   -0.09250
 C       1.38812  1    118.87421  1    359.60726  1   262 261 260   -0.14750
 C       1.40596  1    121.37377  1      0.00000  1   263 262 261   -0.10030
 C       1.38813  1    121.46095  1      0.31505  1   264 263 262   -0.16300
 H       1.09818  1    121.20994  1    179.60436  1   265 264 263    0.13050
 H       1.10412  1    118.50799  1    179.99572  1   264 263 262    0.15920
 H       1.10091  1    119.90159  1    179.27464  1   263 262 261    0.14490
 H       1.09997  1    120.16081  1    178.73461  1   262 261 260    0.13810
 H       0.98967  1    122.90300  1    202.70002  1   259 258 257    0.24000
 H       1.09372  1    129.23910  1      1.49878  1   258 257 256    0.16410
 H       1.12148  1    110.43502  1     53.37706  1   256 252 251    0.08270
 H       1.12477  1    108.56268  1    171.51734  1   256 252 251    0.11650
 H       1.14111  1    105.31129  1    221.95832  1   252 251   3    0.13250
 H       1.00458  1     90.04109  1    321.44901  1   251   3   2    0.16590
 H       1.00386  1     60.51649  1    211.38045  1   251   3   2    0.12940
 N       8.67740  0     38.22060  0    193.99078  0     3   2   1   -0.34410
 C       1.42114  0     58.23409  0     50.35430  0   277   3   2   -0.04170
 C       1.53309  0    116.04025  0    101.50935  0   278 277   3    0.32970
 O       1.21854  0    114.35152  0    130.77104  0   279 278 277   -0.41770
 N       1.34627  0    124.98155  0    307.65807  0   279 278 277   -0.31020
 C       1.44346  0    119.05048  0    178.55598  0   281 279 278   -0.03280
 C       1.53151  0    110.56490  0    303.77749  0   282 281 279    0.19380
 O       1.24540  0    121.78839  0    134.73572  0   283 282 281   -0.32600
 H       1.11016  1    116.81135  1    314.81420  1   283 282 281    0.09280
 C       1.54395  1    107.47861  1    183.13096  1   282 281 279   -0.15610
 C       1.52567  1    105.73344  1    351.74770  1   286 282 281   -0.16710
 C       1.53824  1    106.49632  1     12.03506  1   287 286 282   -0.04940
 H       1.12538  1    109.57187  1    107.15063  1   288 287 286    0.06780
 H       1.13288  1    110.99343  1    227.74210  1   288 287 286    0.19100
 H       1.11691  1    111.51587  1    132.58583  1   287 286 282    0.07510
 H       1.12001  1    110.91165  1    252.72567  1   287 286 282    0.11750
 H       1.11769  1    110.63957  1    112.05709  1   286 282 281    0.07110
 H       1.11749  1    109.77915  1    231.35611  1   286 282 281    0.10620
 H       1.13213  1    109.74938  1     63.03444  1   282 281 279    0.13770
 C       1.54657  1    115.06806  1    333.97052  1   278 277   3   -0.18910
 C       1.48935  1    111.08628  1    304.72617  1   296 278 277   -0.07620
 C       1.40078  1    120.72839  1    300.58204  1   297 296 278   -0.13850
 C       1.39359  1    120.33553  1    180.16421  1   298 297 296   -0.15380
 C       1.39462  1    120.08309  1      0.42455  1   299 298 297   -0.16030
 C       1.39421  1    119.78884  1      0.32788  1   300 299 298   -0.13140
 C       1.39502  1    120.45755  1    359.46386  1   301 300 299   -0.10040
 H       1.11401  1    120.09078  1    178.68511  1   302 301 300    0.21980
 H       1.09973  1    120.29006  1    178.66797  1   301 300 299    0.12880
 H       1.09841  1    119.98554  1    179.53287  1   300 299 298    0.10370
 H       1.09859  1    119.79089  1    179.65914  1   299 298 297    0.10750
 H       1.10027  1    119.79212  1    358.98802  1   298 297 296    0.13110
 H       1.12985  1    110.20246  1     66.44485  1   296 278 277    0.16030
 H       1.12118  1    108.55296  1    184.45350  1   296 278 277    0.11390
 H       1.14001  1    106.22335  1    216.13663  1   278 277   3    0.11760
 H       1.00452  1     98.28896  1    302.90765  1   277   3   2    0.15330
 H       1.00547  1     60.32881  1    196.96589  1   277   3   2    0.15430
 N      11.50103  0     41.84600  0    249.35006  0     3   2   1   -0.34220
 C       1.46571  0     95.67219  0    122.02735  0   313   3   2   -0.09480
 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   -0.31630
 H       1.11514  1    115.06302  1    317.39375  1   315 314 313    0.08310
 C       1.54317  1    116.48525  1     25.83748  1   314 313   3   -0.13280
 C       1.51442  1    110.09129  1    189.21244  1   318 314 313   -0.21210
 H       1.11740  1    110.37026  1     66.65982  1   319 318 314    0.07310
 H       1.11754  1    109.99721  1    186.11406  1   319 318 314    0.08390
 H       1.11690  1    110.80483  1    306.42565  1   319 318 314    0.07410
 C       1.51545  1    111.11897  1    311.07695  1   318 314 313   -0.23020
 H       1.11969  1    110.98030  1     72.11522  1   323 318 314    0.08620
 H       1.11994  1    110.18687  1    191.31096  1   323 318 314    0.10610
 H       1.11757  1    110.81852  1    311.43231  1   323 318 314    0.07520
 H       1.12786  1    108.38678  1     69.81349  1   318 314 313    0.10070
 H       1.13062  1    106.29658  1    265.83908  1   314 313   3    0.12040
 H       1.00360  1     21.48062  1    347.66967  1   313   3   2    0.17250
 H       1.00180  1    100.40493  1    233.97065  1   313   3   2    0.14670
 N      14.72332  0    119.88957  0    302.81367  0     3   2   1   -0.33270
 C       1.45021  0     37.30719  0    306.75107  0   331   3   2   -0.07980
 C       1.54346  0    110.63712  0    180.33963  0   332 331   3    0.15100
 O       1.24270  0    122.55259  0    311.49323  0   333 332 331   -0.33640
 H       1.11018  1    115.38950  1    132.98527  1   333 332 331    0.11980
 C       1.52866  1    110.24039  1     57.98087  1   332 331   3   -0.20880
 C       1.51166  1    115.69499  1    186.07430  1   336 332 331    0.30920
 O       1.26739  1    122.49064  1     19.67383  1   337 336 332   -0.59110
 O       1.27260  1    116.82804  1    198.31744  1   337 336 332   -0.58850
 H       1.12422  1    108.73488  1    305.27937  1   336 332 331    0.11300
 H       1.12192  1    109.78593  1     63.40367  1   336 332 331    0.08400
 H       1.12900  1    108.56919  1    298.69721  1   332 331   3    0.14500
 H       1.00234  1    104.88041  1     51.46214  1   331   3   2    0.13410
 H       1.00168  1    141.62663  1    263.54306  1   331   3   2    0.12710
 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    0.28220
 O       1.23555  0    119.95914  0    119.13348  0   347 346 345   -0.42290
 N       1.36644  0    116.12883  0    297.27396  0   347 346 345   -0.36710
 C       1.45852  0    122.03281  0    181.45509  0   349 347 346   -0.04260
 C       1.52059  0    119.21913  0    241.02480  0   350 349 347    0.19630
 O       1.22034  0    112.83439  0    233.01771  0   351 350 349   -0.29710
 H       1.10276  1    120.65973  1     53.71354  1   351 350 349    0.10880
 C       1.54750  1    110.13793  1    113.04019  1   350 349 347   -0.15560
 C       1.51958  1    113.54494  1    293.46500  1   354 350 349   -0.11480
 C       1.51687  1    109.30370  1    170.11888  1   355 354 350   -0.21010
 H       1.11633  1    110.57872  1     58.48708  1   356 355 354    0.06120
 H       1.11794  1    110.45418  1    178.63601  1   356 355 354    0.06980
 H       1.11756  1    110.32985  1    298.46737  1   356 355 354    0.08770
 C       1.51477  1    111.64700  1    292.29108  1   355 354 350   -0.20530
 H       1.11775  1    110.44066  1     67.51121  1   360 355 354    0.08390
 H       1.11815  1    110.38225  1    186.66419  1   360 355 354    0.06510
 H       1.11647  1    110.73653  1    306.81114  1   360 355 354    0.05090
 H       1.12754  1    109.30949  1     51.88782  1   355 354 350    0.09860
 H       1.12304  1    108.55341  1     56.48977  1   354 350 349    0.12480
 H       1.12193  1    108.80825  1    173.15718  1   354 350 349    0.08400
 H       1.14070  1    106.27925  1    357.47715  1   350 349 347    0.10650
 H       1.00312  1    121.46434  1    359.00860  1   349 347 346    0.28560
 C       1.53789  1    113.52515  1    353.68691  1   346 345   3   -0.17420
 C       1.52313  1    113.46146  1    303.83948  1   369 346 345   -0.09960
 C       1.51848  1    112.83917  1     86.39365  1   370 369 346   -0.21920
 H       1.11925  1    111.67277  1     24.94121  1   371 370 369    0.10920
 H       1.11816  1    110.47479  1    145.50367  1   371 370 369    0.06970
 H       1.11702  1    110.58284  1    264.75944  1   371 370 369    0.08310
 C       1.51624  1    109.35809  1    209.06949  1   370 369 346   -0.21080
 H       1.11781  1    110.46730  1     54.11620  1   375 370 369    0.05290
 H       1.11820  1    110.62778  1    174.36700  1   375 370 369    0.06980
 H       1.11733  1    110.28659  1    293.93016  1   375 370 369    0.09290
 H       1.12439  1    108.25708  1    327.12780  1   370 369 346    0.07620
 H       1.12301  1    110.37449  1     65.80382  1   369 346 345    0.10450
 H       1.12346  1    107.23224  1    182.32450  1   369 346 345    0.08200
 H       1.13196  1    106.63689  1    233.96432  1   346 345   3    0.10600
 H       1.00594  1     42.64176  1    158.40313  1   345   3   2    0.20040
 H       1.00075  1    136.09230  1     94.65286  1   345   3   2    0.13760
 N      10.68735  0    128.65141  0    312.98371  0     3   2   1   -0.34820
 C       1.48631  0     40.52725  0     11.00505  0   385   3   2   -0.06000
 C       1.53547  0    112.47589  0     77.79441  0   386 385   3    0.27680
 O       1.24135  0    121.32684  0    140.32846  0   387 386 385   -0.36270
 N       1.30757  0    113.87122  0    319.51944  0   387 386 385   -0.36340
 C       1.46212  0    123.58756  0    180.87103  0   389 387 386   -0.04680
 C       1.53121  0    108.52389  0    269.83224  0   390 389 387    0.18080
 O       1.23565  0    121.25330  0    262.58399  0   391 390 389   -0.31570
 H       1.10944  1    115.95675  1     81.66773  1   391 390 389    0.10780
 C       1.53091  1    114.07040  1    146.89336  1   390 389 387   -0.12900
 C       1.48664  1    114.40081  1    302.16839  1   394 390 389   -0.09400
 C       1.40022  1    121.74579  1    314.25932  1   395 394 390   -0.12870
 C       1.39556  1    120.68629  1    181.67017  1   396 395 394   -0.10320
 C       1.39586  1    119.80206  1      0.30095  1   397 396 395   -0.12190
 C       1.39524  1    119.99116  1    359.79667  1   398 397 396   -0.15310
 C       1.39322  1    120.17445  1      0.00000  1   399 398 397   -0.14510
 H       1.09941  1    119.84806  1    180.66686  1   400 399 398    0.11540
 H       1.09941  1    120.07131  1    180.86645  1   399 398 397    0.11400
 H       1.10072  1    119.54332  1    180.59150  1   398 397 396    0.14330
 H       1.11095  1    120.36880  1    181.12440  1   397 396 395    0.20320
 H       1.10106  1    120.24282  1      2.40481  1   396 395 394    0.14130
 H       1.12426  1    108.97458  1     66.10923  1   394 390 389    0.09930
 H       1.12448  1    106.96066  1    181.24932  1   394 390 389    0.09420
 H       1.13453  1    107.63948  1     25.61570  1   390 389 387    0.13750
 H       0.99655  1    121.66789  1    346.85917  1   389 387 386    0.23590
 C       1.53759  1    111.63578  1    312.78394  1   386 385   3   -0.07830
 C       1.47195  1    109.53937  1    187.75673  1   410 386 385   -0.14310
 N       1.39781  1    124.02346  1     91.32893  1   411 410 386   -0.15950
 C       1.39146  1    106.58719  1    186.32953  1   412 411 410   -0.09410
 N       1.35535  1    111.62442  1    358.39870  1   413 412 411   -0.16140
 C       1.38617  1    105.83075  1      0.33351  1   414 413 412   -0.18560
 H       1.08934  1    121.84195  1    181.37802  1   415 414 413    0.16230
 H       1.09390  1    123.08538  1    180.34066  1   413 412 411    0.18790
 H       1.00073  1    124.82729  1    355.31176  1   412 411 410    0.30400
 H       1.12918  1    108.18268  1    308.01527  1   410 386 385    0.14700
 H       1.12103  1    110.54773  1     66.76846  1   410 386 385    0.07800
 H       1.13390  1    106.47711  1    195.13195  1   386 385   3    0.16630
 H       0.99885  1     71.06094  1    197.71272  1   385   3   2    0.14170
 H       0.99769  1    122.58394  1     95.29089  1   385   3   2    0.13860
 O       3.37296  0    100.11538  0    322.17998  0     3   2   1   -0.42920
 H       0.96550  1     61.44944  1    313.40252  1   424   3   2    0.22020
 H       0.96145  1    162.37244  1    287.06022  1   424   3   2    0.20330

