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 C       1.54264  1    114.06668  1    314.57077  1   230 229   3   -0.14330
 C       1.48657  1    112.47671  1    213.40572  1   234 230 229   -0.09910
 C       1.39860  1    120.50246  1    248.59970  1   235 234 230   -0.11950
 C       1.39510  1    120.23226  1    181.64639  1   236 235 234   -0.12000
 C       1.39526  1    120.12495  1      0.24694  1   237 236 235   -0.14340
 C       1.39626  1    119.82566  1    359.91265  1   238 237 236   -0.13560
 C       1.39310  1    120.13648  1    359.82351  1   239 238 237   -0.13360
 H       1.09932  1    120.00073  1    179.96972  1   240 239 238    0.11400
 H       1.10019  1    119.89440  1    179.47787  1   239 238 237    0.13310
 H       1.10543  1    119.68633  1    179.03595  1   238 237 236    0.17250
 H       1.10699  1    119.88995  1    180.46797  1   237 236 235    0.17920
 H       1.10053  1    120.27020  1      1.14088  1   236 235 234    0.13670
 H       1.12482  1    109.55456  1    333.73913  1   234 230 229    0.08350
 H       1.12288  1    109.47322  1     90.51230  1   234 230 229    0.09050
 H       1.13080  1    106.79099  1    194.18884  1   230 229   3    0.14050
 H       1.00135  1    117.41522  1      6.14480  1   229   3   2    0.14550
 H       1.00164  1     71.24322  1    264.48938  1   229   3   2    0.13150
 N      10.63207  0    157.78032  0    247.22641  0     3   2   1   -0.32260
 C       1.45686  0     61.45363  0     72.53461  0   251   3   2   -0.11500
 C       1.53079  0    114.33401  0    108.37627  0   252 251   3    0.19250
 O       1.24202  0    122.12129  0    166.61502  0   253 252 251   -0.30040
 H       1.11133  1    116.73910  1    347.99286  1   253 252 251    0.08100
 C       1.53932  1    115.42770  1    337.74560  1   252 251   3   -0.10270
 C       1.46975  1    109.09651  1    290.91743  1   256 252 251   -0.17400
 C       1.39156  1    127.31291  1    104.85849  1   257 256 252   -0.07250
 N       1.40231  1    110.62929  1    185.19976  1   258 257 256   -0.20680
 C       1.40687  1    107.58297  1    355.88750  1   259 258 257   -0.02490
 C       1.44453  1    108.30269  1      3.89520  1   260 259 258   -0.07090
 C       1.39451  1    119.58530  1    177.49917  1   261 260 259   -0.09600
 C       1.38778  1    118.82397  1    359.69019  1   262 261 260   -0.14180
 C       1.40562  1    121.37997  1      0.06892  1   263 262 261   -0.10280
 C       1.38822  1    121.42969  1      0.30620  1   264 263 262   -0.15510
 H       1.09825  1    121.18622  1    179.25950  1   265 264 263    0.13250
 H       1.10425  1    118.57704  1    180.22263  1   264 263 262    0.16180
 H       1.10079  1    119.86506  1    179.41634  1   263 262 261    0.14230
 H       1.09979  1    120.13336  1    179.03292  1   262 261 260    0.13690
 H       0.98989  1    122.69680  1    203.86985  1   259 258 257    0.24040
 H       1.09421  1    129.16192  1      2.76228  1   258 257 256    0.16700
 H       1.12175  1    110.39303  1     52.45206  1   256 252 251    0.07940
 H       1.12377  1    108.75350  1    171.02578  1   256 252 251    0.11800
 H       1.14172  1    105.33971  1    221.66302  1   252 251   3    0.13400
 H       1.00480  1     90.12882  1    321.52735  1   251   3   2    0.16700
 H       1.00386  1     60.47342  1    211.48254  1   251   3   2    0.12970
 N       8.67740  0     38.22060  0    193.99078  0     3   2   1   -0.34160
 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    0.33220
 O       1.21854  0    114.35152  0    130.77104  0   279 278 277   -0.41420
 N       1.34627  0    124.98155  0    307.65807  0   279 278 277   -0.30430
 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   -0.33370
 H       1.11067  1    117.02532  1    314.98535  1   283 282 281    0.08340
 C       1.54262  1    107.48141  1    182.63519  1   282 281 279   -0.15370
 C       1.52562  1    105.72643  1    350.84798  1   286 282 281   -0.16580
 C       1.53941  1    106.66083  1     11.06932  1   287 286 282   -0.04130
 H       1.12552  1    109.45728  1    109.57311  1   288 287 286    0.06360
 H       1.13319  1    111.11274  1    229.66133  1   288 287 286    0.17920
 H       1.11705  1    111.46348  1    131.75385  1   287 286 282    0.06700
 H       1.11996  1    110.54958  1    251.85820  1   287 286 282    0.12050
 H       1.11759  1    110.81716  1    111.30440  1   286 282 281    0.06150
 H       1.11774  1    109.54715  1    230.83519  1   286 282 281    0.11390
 H       1.13861  1    109.15805  1     63.39877  1   282 281 279    0.17490
 C       1.54533  1    115.48118  1    333.47616  1   278 277   3   -0.19270
 C       1.48878  1    111.05693  1    303.40983  1   296 278 277   -0.07000
 C       1.40051  1    120.63389  1    295.63642  1   297 296 278   -0.13470
 C       1.39368  1    120.39012  1    180.13202  1   298 297 296   -0.15610
 C       1.39450  1    120.04017  1      0.47964  1   299 298 297   -0.16180
 C       1.39456  1    119.79119  1      0.42992  1   300 299 298   -0.13980
 C       1.39484  1    120.47994  1    359.50047  1   301 300 299   -0.10360
 H       1.11424  1    120.35574  1    178.21320  1   302 301 300    0.22100
 H       1.09954  1    120.22590  1    178.48906  1   301 300 299    0.12550
 H       1.09832  1    120.01071  1    179.65963  1   300 299 298    0.10090
 H       1.09850  1    119.82681  1    179.82229  1   299 298 297    0.10490
 H       1.10059  1    119.59909  1    359.06840  1   298 297 296    0.13450
 H       1.12952  1    110.23842  1     65.35139  1   296 278 277    0.16210
 H       1.12155  1    108.30749  1    183.16092  1   296 278 277    0.12010
 H       1.14068  1    105.95571  1    215.99742  1   278 277   3    0.11370
 H       1.00463  1     96.86418  1    302.10240  1   277   3   2    0.14720
 H       1.00552  1     60.98257  1    195.65371  1   277   3   2    0.15270
 N      11.50103  0     41.84600  0    249.35006  0     3   2   1   -0.33510
 C       1.46571  0     95.67219  0    122.02735  0   313   3   2   -0.09330
 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   -0.32410
 H       1.11529  1    115.08309  1    316.98578  1   315 314 313    0.08220
 C       1.54439  1    117.64974  1     27.68736  1   314 313   3   -0.13600
 C       1.51576  1    109.96001  1    189.09658  1   318 314 313   -0.21100
 H       1.11727  1    110.29907  1     66.10225  1   319 318 314    0.06940
 H       1.11763  1    109.94228  1    185.39016  1   319 318 314    0.07990
 H       1.11667  1    111.07243  1    305.72445  1   319 318 314    0.07040
 C       1.51144  1    111.81628  1    311.06523  1   318 314 313   -0.22810
 H       1.12001  1    111.25888  1     69.49289  1   323 318 314    0.10140
 H       1.11989  1    110.37603  1    187.93316  1   323 318 314    0.11310
 H       1.11720  1    110.73824  1    308.02673  1   323 318 314    0.06970
 H       1.12807  1    108.19926  1     69.95607  1   318 314 313    0.09890
 H       1.12937  1    106.36815  1    266.57526  1   314 313   3    0.11860
 H       1.00345  1     20.17038  1    344.83119  1   313   3   2    0.17480
 H       1.00274  1    101.33385  1    233.89881  1   313   3   2    0.14260
 N      14.72332  0    119.88957  0    302.81367  0     3   2   1   -0.32550
 C       1.45021  0     37.30719  0    306.75107  0   331   3   2   -0.08180
 C       1.54346  0    110.63712  0    180.33963  0   332 331   3    0.14230
 O       1.24270  0    122.55259  0    311.49323  0   333 332 331   -0.33390
 H       1.11051  1    115.55804  1    133.17584  1   333 332 331    0.11780
 C       1.53116  1    109.34785  1     59.69684  1   332 331   3   -0.19830
 C       1.51111  1    115.18249  1    187.58855  1   336 332 331    0.30570
 O       1.26747  1    122.46918  1     17.29541  1   337 336 332   -0.58890
 O       1.27427  1    117.21480  1    195.99065  1   337 336 332   -0.59490
 H       1.12368  1    108.85479  1    306.85636  1   336 332 331    0.11460
 H       1.12143  1    109.79306  1     64.97177  1   336 332 331    0.08500
 H       1.12733  1    109.64712  1    300.21712  1   332 331   3    0.14590
 H       1.00297  1    121.18348  1     28.57827  1   331   3   2    0.13830
 H       1.00190  1    126.76865  1    233.13409  1   331   3   2    0.12240
 N      12.38036  0    104.96082  0    284.46983  0     3   2   1   -0.36630
 C       1.45859  0     70.22530  0    354.34928  0   345   3   2   -0.02720
 C       1.51962  0    111.83760  0    117.38431  0   346 345   3    0.27890
 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   -0.04390
 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   -0.29790
 H       1.10282  1    120.67685  1     53.63758  1   351 350 349    0.11050
 C       1.54956  1    109.99321  1    114.26094  1   350 349 347   -0.15680
 C       1.51927  1    114.33000  1    300.59943  1   354 350 349   -0.11240
 C       1.51693  1    109.37195  1    170.03819  1   355 354 350   -0.20280
 H       1.11648  1    110.59886  1     57.23790  1   356 355 354    0.05870
 H       1.11801  1    110.45200  1    177.22448  1   356 355 354    0.06850
 H       1.11712  1    110.33585  1    297.12737  1   356 355 354    0.07940
 C       1.51397  1    111.52563  1    292.34506  1   355 354 350   -0.20980
 H       1.11820  1    110.25472  1     64.56294  1   360 355 354    0.09100
 H       1.11793  1    110.32053  1    183.75924  1   360 355 354    0.06870
 H       1.11642  1    110.72773  1    303.86442  1   360 355 354    0.05050
 H       1.12781  1    109.59949  1     51.92380  1   355 354 350    0.09800
 H       1.12363  1    108.04522  1     63.32267  1   354 350 349    0.12380
 H       1.12152  1    108.29198  1    179.66807  1   354 350 349    0.08010
 H       1.13958  1    106.50066  1    358.45223  1   350 349 347    0.10930
 H       1.00273  1    121.62039  1    359.86681  1   349 347 346    0.28340
 C       1.53965  1    113.54756  1    354.58907  1   346 345   3   -0.17640
 C       1.52157  1    114.08537  1    302.62907  1   369 346 345   -0.09710
 C       1.51811  1    112.89789  1     82.44025  1   370 369 346   -0.22020
 H       1.11938  1    111.57094  1     26.77040  1   371 370 369    0.10710
 H       1.11769  1    110.30666  1    147.12539  1   371 370 369    0.07170
 H       1.11679  1    110.63076  1    266.25948  1   371 370 369    0.08370
 C       1.51730  1    109.33844  1    204.92622  1   370 369 346   -0.21260
 H       1.11817  1    110.79300  1     49.43066  1   375 370 369    0.05700
 H       1.11846  1    110.44141  1    169.93727  1   375 370 369    0.07510
 H       1.11715  1    110.45535  1    289.61732  1   375 370 369    0.08900
 H       1.12335  1    108.14535  1    322.89057  1   370 369 346    0.07460
 H       1.12337  1    110.35734  1     64.65949  1   369 346 345    0.10110
 H       1.12375  1    107.09007  1    181.16050  1   369 346 345    0.08280
 H       1.13107  1    106.88717  1    234.44906  1   346 345   3    0.10980
 H       1.00566  1     43.94502  1    153.29499  1   345   3   2    0.20130
 H       1.00048  1    140.22695  1     93.75093  1   345   3   2    0.13800
 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   -0.35960
 C       1.46212  0    123.58756  0    180.87103  0   389 387 386   -0.04500
 C       1.53121  0    108.52389  0    269.83224  0   390 389 387    0.17970
 O       1.23565  0    121.25330  0    262.58399  0   391 390 389   -0.31190
 H       1.10939  1    115.94454  1     81.69016  1   391 390 389    0.10720
 C       1.53225  1    114.01177  1    145.84424  1   390 389 387   -0.12810
 C       1.48697  1    112.39316  1    307.24849  1   394 390 389   -0.09690
 C       1.40100  1    120.70912  1    299.32802  1   395 394 390   -0.13330
 C       1.39436  1    120.53381  1    178.39319  1   396 395 394   -0.10980
 C       1.39631  1    119.73856  1      0.86696  1   397 396 395   -0.11250
 C       1.39396  1    120.01114  1      0.07472  1   398 397 396   -0.14570
 C       1.39404  1    120.25379  1    359.35476  1   399 398 397   -0.14840
 H       1.09970  1    119.87536  1    181.23214  1   400 399 398    0.12070
 H       1.10007  1    119.99134  1    180.91212  1   399 398 397    0.12380
 H       1.10210  1    119.65277  1    181.63878  1   398 397 396    0.14830
 H       1.10985  1    120.55926  1    182.31166  1   397 396 395    0.19200
 H       1.10036  1    119.83263  1    359.86667  1   396 395 394    0.13270
 H       1.12329  1    109.27660  1     70.48199  1   394 390 389    0.10060
 H       1.12295  1    107.31108  1    186.54847  1   394 390 389    0.09310
 H       1.13508  1    107.48181  1     25.58318  1   390 389 387    0.13310
 H       0.99710  1    121.62648  1    346.25249  1   389 387 386    0.23720
 C       1.53770  1    110.10191  1    313.20069  1   386 385   3   -0.08470
 C       1.47140  1    112.28755  1    187.65500  1   410 386 385   -0.11910
 N       1.39566  1    124.23734  1     83.07706  1   411 410 386   -0.15120
 C       1.38895  1    106.83423  1    179.93024  1   412 411 410   -0.10720
 N       1.35727  1    111.48599  1    359.12274  1   413 412 411   -0.20570
 C       1.38695  1    105.84845  1      0.30240  1   414 413 412   -0.19470
 H       1.09049  1    122.02213  1    181.23174  1   415 414 413    0.16940
 H       1.09469  1    123.21782  1    180.17272  1   413 412 411    0.19190
 H       1.00309  1    125.30871  1    355.99319  1   412 411 410    0.31410
 H       1.13113  1    107.69506  1    307.97178  1   410 386 385    0.15080
 H       1.12201  1    110.26662  1     66.09973  1   410 386 385    0.08270
 H       1.13316  1    106.85239  1    195.65925  1   386 385   3    0.16740
 H       0.99874  1     71.08983  1    195.63722  1   385   3   2    0.14310
 H       0.99756  1    124.06388  1     93.36892  1   385   3   2    0.14050
 O       3.37296  0    100.11538  0    322.17998  0     3   2   1   -0.41630
 H       0.96425  1     67.03696  1    283.63669  1   424   3   2    0.21850
 H       0.95961  1    170.00809  1    267.77022  1   424   3   2    0.19380

