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 C       1.39927  1    120.99456  1    251.91920  1   235 234 230   -0.12220
 C       1.39547  1    120.29217  1    184.54364  1   236 235 234   -0.11340
 C       1.39601  1    120.09922  1    359.84127  1   237 236 235   -0.11720
 C       1.39594  1    119.80701  1    359.26335  1   238 237 236   -0.15120
 C       1.39325  1    120.17844  1      0.82442  1   239 238 237   -0.12090
 H       1.09964  1    119.97789  1    179.51286  1   240 239 238    0.12020
 H       1.10107  1    119.70578  1    180.07152  1   239 238 237    0.13740
 H       1.10348  1    120.06126  1    179.11525  1   238 237 236    0.16680
 H       1.10205  1    120.15468  1    179.44662  1   237 236 235    0.16270
 H       1.10011  1    120.10530  1      3.75709  1   236 235 234    0.12980
 H       1.12605  1    108.07425  1    312.43840  1   234 230 229    0.08230
 H       1.12384  1    108.95017  1     68.62943  1   234 230 229    0.08630
 H       1.12975  1    107.52314  1    194.56720  1   230 229   3    0.13740
 H       1.00125  1    118.14648  1      6.99998  1   229   3   2    0.14390
 H       1.00167  1     71.10194  1    265.53448  1   229   3   2    0.13210
 N      10.63207  0    157.78032  0    247.22641  0     3   2   1   -0.32160
 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    0.19440
 O       1.24202  0    122.12129  0    166.61502  0   253 252 251   -0.29890
 H       1.11127  1    116.74709  1    347.76811  1   253 252 251    0.07930
 C       1.53884  1    116.00876  1    338.59181  1   252 251   3   -0.10280
 C       1.46885  1    109.55006  1    290.71874  1   256 252 251   -0.17000
 C       1.39075  1    127.10992  1    110.66227  1   257 256 252   -0.06570
 N       1.40276  1    110.62235  1    184.17964  1   258 257 256   -0.20680
 C       1.40642  1    107.58525  1    355.74521  1   259 258 257   -0.02200
 C       1.44440  1    108.30249  1      3.90382  1   260 259 258   -0.07480
 C       1.39464  1    119.43573  1    177.94965  1   261 260 259   -0.09350
 C       1.38785  1    118.95098  1    359.53804  1   262 261 260   -0.14810
 C       1.40588  1    121.31517  1    359.96674  1   263 262 261   -0.10050
 C       1.38831  1    121.42284  1      0.38427  1   264 263 262   -0.16370
 H       1.09816  1    121.16677  1    179.61187  1   265 264 263    0.12990
 H       1.10409  1    118.55766  1    180.06141  1   264 263 262    0.15960
 H       1.10082  1    119.91319  1    179.27260  1   263 262 261    0.14500
 H       1.10011  1    120.12979  1    178.68319  1   262 261 260    0.13840
 H       0.98984  1    122.47894  1    203.95815  1   259 258 257    0.23780
 H       1.09430  1    129.20749  1      2.01230  1   258 257 256    0.16660
 H       1.12165  1    110.45678  1     52.84900  1   256 252 251    0.08220
 H       1.12472  1    108.55062  1    170.98306  1   256 252 251    0.11700
 H       1.14126  1    105.24846  1    221.90813  1   252 251   3    0.13290
 H       1.00458  1     89.65931  1    321.23116  1   251   3   2    0.16580
 H       1.00389  1     60.76920  1    211.01969  1   251   3   2    0.12910
 N       8.67740  0     38.22060  0    193.99078  0     3   2   1   -0.34470
 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    0.32950
 O       1.21854  0    114.35152  0    130.77104  0   279 278 277   -0.41760
 N       1.34627  0    124.98155  0    307.65807  0   279 278 277   -0.31060
 C       1.44346  0    119.05048  0    178.55598  0   281 279 278   -0.03090
 C       1.53151  0    110.56490  0    303.77749  0   282 281 279    0.19240
 O       1.24540  0    121.78839  0    134.73572  0   283 282 281   -0.32550
 H       1.11015  1    116.78821  1    314.77500  1   283 282 281    0.09530
 C       1.54511  1    107.36590  1    183.43514  1   282 281 279   -0.15760
 C       1.52600  1    105.68417  1    351.10538  1   286 282 281   -0.16660
 C       1.53871  1    106.39469  1     13.04576  1   287 286 282   -0.05070
 H       1.12540  1    109.76049  1    105.95783  1   288 287 286    0.06940
 H       1.13294  1    110.96610  1    226.43484  1   288 287 286    0.19180
 H       1.11684  1    111.56587  1    133.81031  1   287 286 282    0.07730
 H       1.11979  1    110.84943  1    254.03341  1   287 286 282    0.11410
 H       1.11770  1    110.64294  1    111.32334  1   286 282 281    0.07250
 H       1.11737  1    109.82597  1    230.67835  1   286 282 281    0.10510
 H       1.13147  1    109.82558  1     63.18452  1   282 281 279    0.13280
 C       1.54674  1    114.99800  1    334.03184  1   278 277   3   -0.18850
 C       1.48941  1    110.96683  1    304.82756  1   296 278 277   -0.07640
 C       1.40069  1    120.70531  1    300.09556  1   297 296 278   -0.13910
 C       1.39354  1    120.30727  1    180.14485  1   298 297 296   -0.15110
 C       1.39445  1    120.10528  1      0.46034  1   299 298 297   -0.16060
 C       1.39438  1    119.81011  1      0.26602  1   300 299 298   -0.12980
 C       1.39506  1    120.41186  1    359.49710  1   301 300 299   -0.10210
 H       1.11392  1    120.07097  1    178.55280  1   302 301 300    0.21890
 H       1.09966  1    120.31847  1    178.66496  1   301 300 299    0.12890
 H       1.09844  1    119.98488  1    179.48213  1   300 299 298    0.10420
 H       1.09864  1    119.77529  1    179.63119  1   299 298 297    0.10770
 H       1.10029  1    119.80527  1    358.91383  1   298 297 296    0.13150
 H       1.12973  1    110.23208  1     66.49281  1   296 278 277    0.15940
 H       1.12144  1    108.55174  1    184.56162  1   296 278 277    0.11360
 H       1.14016  1    106.35043  1    216.09608  1   278 277   3    0.11890
 H       1.00416  1    100.71186  1    304.34769  1   277   3   2    0.15330
 H       1.00554  1     59.18122  1    199.88016  1   277   3   2    0.15550
 N      11.50103  0     41.84600  0    249.35006  0     3   2   1   -0.34120
 C       1.46571  0     95.67219  0    122.02735  0   313   3   2   -0.09450
 C       1.53380  0    108.58586  0    148.98325  0   314 313   3    0.20180
 O       1.23462  0    124.42499  0    138.84525  0   315 314 313   -0.31520
 H       1.11510  1    115.04278  1    317.53380  1   315 314 313    0.08340
 C       1.54288  1    116.47490  1     25.79486  1   314 313   3   -0.13340
 C       1.51430  1    110.15678  1    188.91439  1   318 314 313   -0.21350
 H       1.11759  1    110.37257  1     67.02749  1   319 318 314    0.07360
 H       1.11775  1    109.95946  1    186.49881  1   319 318 314    0.08480
 H       1.11675  1    110.85024  1    306.79293  1   319 318 314    0.07540
 C       1.51535  1    111.07731  1    310.84997  1   318 314 313   -0.22620
 H       1.11968  1    111.00923  1     71.76432  1   323 318 314    0.08440
 H       1.11969  1    110.11219  1    191.08200  1   323 318 314    0.10030
 H       1.11750  1    110.78555  1    311.01722  1   323 318 314    0.07740
 H       1.12802  1    108.34302  1     69.61534  1   318 314 313    0.09970
 H       1.13064  1    106.29625  1    265.83566  1   314 313   3    0.12070
 H       1.00357  1     21.76802  1    348.30398  1   313   3   2    0.17290
 H       1.00156  1    100.15881  1    233.96007  1   313   3   2    0.14530
 N      14.72332  0    119.88957  0    302.81367  0     3   2   1   -0.33510
 C       1.45021  0     37.30719  0    306.75107  0   331   3   2   -0.08190
 C       1.54346  0    110.63712  0    180.33963  0   332 331   3    0.15930
 O       1.24270  0    122.55259  0    311.49323  0   333 332 331   -0.33830
 H       1.10995  1    115.30392  1    133.15794  1   333 332 331    0.12030
 C       1.52858  1    110.77434  1     57.72421  1   332 331   3   -0.21500
 C       1.51300  1    115.96555  1    186.19942  1   336 332 331    0.31230
 O       1.26696  1    122.56768  1     19.88877  1   337 336 332   -0.59060
 O       1.27248  1    116.64445  1    198.59263  1   337 336 332   -0.58900
 H       1.12432  1    108.72676  1    305.38129  1   336 332 331    0.11190
 H       1.12192  1    109.73052  1     63.49256  1   336 332 331    0.08430
 H       1.12940  1    108.31617  1    298.45051  1   332 331   3    0.14420
 H       1.00292  1     99.11526  1     58.94774  1   331   3   2    0.13450
 H       1.00285  1    145.25094  1    278.23122  1   331   3   2    0.12820
 N      12.38036  0    104.96082  0    284.46983  0     3   2   1   -0.36410
 C       1.45859  0     70.22530  0    354.34928  0   345   3   2   -0.02760
 C       1.51962  0    111.83760  0    117.38431  0   346 345   3    0.28140
 O       1.23555  0    119.95914  0    119.13348  0   347 346 345   -0.42330
 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   -0.04200
 C       1.52059  0    119.21913  0    241.02480  0   350 349 347    0.19540
 O       1.22034  0    112.83439  0    233.01771  0   351 350 349   -0.29730
 H       1.10280  1    120.67161  1     53.66746  1   351 350 349    0.10900
 C       1.54792  1    110.19877  1    113.26883  1   350 349 347   -0.15670
 C       1.51974  1    113.74248  1    295.30252  1   354 350 349   -0.11120
 C       1.51703  1    109.35022  1    171.23504  1   355 354 350   -0.21000
 H       1.11641  1    110.57057  1     61.16331  1   356 355 354    0.05950
 H       1.11797  1    110.33912  1    181.35698  1   356 355 354    0.07140
 H       1.11725  1    110.42803  1    301.20045  1   356 355 354    0.08780
 C       1.51440  1    111.59922  1    293.35568  1   355 354 350   -0.21060
 H       1.11819  1    110.44124  1     67.26077  1   360 355 354    0.08640
 H       1.11833  1    110.42426  1    186.37736  1   360 355 354    0.06640
 H       1.11654  1    110.71111  1    306.49802  1   360 355 354    0.05040
 H       1.12768  1    109.49485  1     53.09075  1   355 354 350    0.09810
 H       1.12315  1    108.46169  1     58.37688  1   354 350 349    0.12590
 H       1.12181  1    108.63848  1    174.89898  1   354 350 349    0.08280
 H       1.14060  1    106.32076  1    357.58256  1   350 349 347    0.10600
 H       1.00320  1    121.44704  1    358.77961  1   349 347 346    0.28630
 C       1.53862  1    113.82861  1    354.17399  1   346 345   3   -0.17920
 C       1.52254  1    113.67102  1    302.38406  1   369 346 345   -0.09830
 C       1.51787  1    112.69632  1     85.74743  1   370 369 346   -0.21730
 H       1.11933  1    111.61423  1     27.46252  1   371 370 369    0.10890
 H       1.11853  1    110.37510  1    147.74811  1   371 370 369    0.06670
 H       1.11691  1    110.63416  1    267.11524  1   371 370 369    0.08410
 C       1.51653  1    109.32379  1    208.49246  1   370 369 346   -0.21060
 H       1.11777  1    110.38095  1     55.50353  1   375 370 369    0.05270
 H       1.11850  1    110.55948  1    175.57515  1   375 370 369    0.06790
 H       1.11733  1    110.37518  1    295.32248  1   375 370 369    0.09460
 H       1.12413  1    108.28806  1    326.37522  1   370 369 346    0.07400
 H       1.12357  1    110.28686  1     64.19120  1   369 346 345    0.10720
 H       1.12300  1    107.29642  1    180.75030  1   369 346 345    0.08360
 H       1.13160  1    106.70355  1    234.18140  1   346 345   3    0.10560
 H       1.00604  1     42.40205  1    159.39005  1   345   3   2    0.20020
 H       1.00077  1    135.30460  1     94.81396  1   345   3   2    0.13790
 N      10.68735  0    128.65141  0    312.98371  0     3   2   1   -0.34700
 C       1.48631  0     40.52725  0     11.00505  0   385   3   2   -0.06210
 C       1.53547  0    112.47589  0     77.79441  0   386 385   3    0.27530
 O       1.24135  0    121.32684  0    140.32846  0   387 386 385   -0.35910
 N       1.30757  0    113.87122  0    319.51944  0   387 386 385   -0.36310
 C       1.46212  0    123.58756  0    180.87103  0   389 387 386   -0.04650
 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   -0.31660
 H       1.10943  1    115.94828  1     81.68331  1   391 390 389    0.10780
 C       1.53154  1    114.08215  1    146.39633  1   390 389 387   -0.13150
 C       1.48700  1    113.53088  1    304.10456  1   394 390 389   -0.09520
 C       1.40059  1    121.26403  1    308.29582  1   395 394 390   -0.12810
 C       1.39476  1    120.53672  1    180.64665  1   396 395 394   -0.10430
 C       1.39604  1    119.79598  1      0.55022  1   397 396 395   -0.11830
 C       1.39427  1    120.00592  1    359.83128  1   398 397 396   -0.15440
 C       1.39369  1    120.19293  1    359.84243  1   399 398 397   -0.14420
 H       1.09949  1    119.85330  1    180.79608  1   400 399 398    0.11630
 H       1.09969  1    120.01703  1    180.98343  1   399 398 397    0.11610
 H       1.10062  1    119.44078  1    180.93457  1   398 397 396    0.14310
 H       1.11092  1    120.39420  1    181.72891  1   397 396 395    0.20220
 H       1.10099  1    120.16158  1      1.73065  1   396 395 394    0.13910
 H       1.12382  1    109.08293  1     67.75657  1   394 390 389    0.09930
 H       1.12381  1    107.13565  1    183.40522  1   394 390 389    0.09440
 H       1.13499  1    107.54031  1     25.56640  1   390 389 387    0.13740
 H       0.99660  1    121.61212  1    346.44845  1   389 387 386    0.23480
 C       1.53805  1    112.37273  1    312.70303  1   386 385   3   -0.07670
 C       1.47325  1    108.74890  1    187.22387  1   410 386 385   -0.15230
 N       1.39738  1    123.99109  1     93.28561  1   411 410 386   -0.16150
 C       1.39281  1    106.58005  1    189.29645  1   412 411 410   -0.08600
 N       1.35571  1    111.69101  1    358.28058  1   413 412 411   -0.15240
 C       1.38604  1    105.74914  1      0.10998  1   414 413 412   -0.17990
 H       1.08906  1    121.85339  1    181.25465  1   415 414 413    0.15870
 H       1.09364  1    122.97060  1    180.89497  1   413 412 411    0.18570
 H       1.00050  1    124.47425  1    355.66108  1   412 411 410    0.30070
 H       1.12861  1    108.30424  1    307.40873  1   410 386 385    0.14670
 H       1.12074  1    110.60467  1     66.37114  1   410 386 385    0.07640
 H       1.13418  1    106.31066  1    194.98895  1   386 385   3    0.16620
 H       0.99892  1     71.02631  1    197.98874  1   385   3   2    0.14060
 H       0.99784  1    122.23223  1     95.57817  1   385   3   2    0.13860
 O       3.37296  0    100.11538  0    322.17998  0     3   2   1   -0.43020
 H       0.96556  1     63.17167  1    307.82125  1   424   3   2    0.22100
 H       0.96289  1    165.10449  1    288.97608  1   424   3   2    0.20520

