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 C       1.48601  1    112.33259  1    213.25624  1   234 230 229   -0.09880
 C       1.39973  1    120.34413  1    248.36317  1   235 234 230   -0.11910
 C       1.39521  1    120.24410  1    181.56842  1   236 235 234   -0.11950
 C       1.39529  1    120.14230  1      0.34286  1   237 236 235   -0.14300
 C       1.39601  1    119.81711  1    359.78826  1   238 237 236   -0.13770
 C       1.39302  1    120.13876  1    359.93562  1   239 238 237   -0.13180
 H       1.09940  1    119.98727  1    180.03132  1   240 239 238    0.11410
 H       1.10011  1    119.87777  1    179.64960  1   239 238 237    0.13370
 H       1.10535  1    119.75432  1    178.99588  1   238 237 236    0.17210
 H       1.10668  1    119.91906  1    180.49887  1   237 236 235    0.17750
 H       1.10058  1    120.26005  1      1.12365  1   236 235 234    0.13700
 H       1.12439  1    109.52616  1    333.57480  1   234 230 229    0.08360
 H       1.12316  1    109.40210  1     90.30929  1   234 230 229    0.09050
 H       1.13113  1    106.72274  1    194.08615  1   230 229   3    0.14060
 H       1.00141  1    117.09163  1      5.71918  1   229   3   2    0.14510
 H       1.00163  1     71.27918  1    263.95603  1   229   3   2    0.13120
 N      10.63207  0    157.78032  0    247.22641  0     3   2   1   -0.32120
 C       1.45686  0     61.45363  0     72.53461  0   251   3   2   -0.11690
 C       1.53079  0    114.33401  0    108.37627  0   252 251   3    0.19340
 O       1.24202  0    122.12129  0    166.61502  0   253 252 251   -0.29960
 H       1.11126  1    116.73162  1    347.70972  1   253 252 251    0.08030
 C       1.53958  1    115.98617  1    337.62894  1   252 251   3   -0.10190
 C       1.46987  1    109.06746  1    292.16817  1   256 252 251   -0.17210
 C       1.39130  1    127.53577  1    104.42727  1   257 256 252   -0.07410
 N       1.40298  1    110.57803  1    185.38601  1   258 257 256   -0.20510
 C       1.40686  1    107.61038  1    355.30029  1   259 258 257   -0.02620
 C       1.44418  1    108.25345  1      4.54020  1   260 259 258   -0.07150
 C       1.39455  1    119.57104  1    177.20937  1   261 260 259   -0.09580
 C       1.38794  1    118.84443  1    359.67006  1   262 261 260   -0.14050
 C       1.40577  1    121.37475  1      0.12894  1   263 262 261   -0.10330
 C       1.38831  1    121.47693  1      0.22122  1   264 263 262   -0.15720
 H       1.09825  1    121.19678  1    179.57646  1   265 264 263    0.13230
 H       1.10421  1    118.56167  1    180.26736  1   264 263 262    0.16040
 H       1.10085  1    119.86672  1    179.56429  1   263 262 261    0.14260
 H       1.09984  1    120.11061  1    179.15280  1   262 261 260    0.13780
 H       0.99030  1    122.49139  1    203.99845  1   259 258 257    0.23910
 H       1.09415  1    129.18408  1      2.32495  1   258 257 256    0.16710
 H       1.12153  1    110.47138  1     53.95796  1   256 252 251    0.08060
 H       1.12387  1    108.41371  1    172.38834  1   256 252 251    0.11920
 H       1.14207  1    105.20054  1    221.56937  1   252 251   3    0.13340
 H       1.00493  1     89.70860  1    321.29226  1   251   3   2    0.16660
 H       1.00392  1     60.70518  1    211.08904  1   251   3   2    0.12880
 N       8.67740  0     38.22060  0    193.99078  0     3   2   1   -0.34240
 C       1.42114  0     58.23409  0     50.35430  0   277   3   2   -0.04220
 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   -0.41660
 N       1.34627  0    124.98155  0    307.65807  0   279 278 277   -0.30470
 C       1.44346  0    119.05048  0    178.55598  0   281 279 278   -0.04120
 C       1.53151  0    110.56490  0    303.77749  0   282 281 279    0.19630
 O       1.24540  0    121.78839  0    134.73572  0   283 282 281   -0.33350
 H       1.11059  1    116.99425  1    314.90552  1   283 282 281    0.08530
 C       1.54294  1    107.48413  1    182.66984  1   282 281 279   -0.15360
 C       1.52574  1    105.73467  1    351.07943  1   286 282 281   -0.16800
 C       1.53928  1    106.63515  1     11.20938  1   287 286 282   -0.04210
 H       1.12550  1    109.51055  1    109.06375  1   288 287 286    0.06310
 H       1.13334  1    111.10427  1    229.23671  1   288 287 286    0.18190
 H       1.11717  1    111.47882  1    131.79793  1   287 286 282    0.06890
 H       1.11993  1    110.63531  1    252.02542  1   287 286 282    0.12170
 H       1.11762  1    110.77931  1    111.53315  1   286 282 281    0.06300
 H       1.11789  1    109.56402  1    231.19663  1   286 282 281    0.11340
 H       1.13731  1    109.29778  1     63.35701  1   282 281 279    0.16910
 C       1.54482  1    115.19881  1    333.28579  1   278 277   3   -0.19140
 C       1.48958  1    111.04193  1    303.82609  1   296 278 277   -0.06970
 C       1.40081  1    120.64836  1    299.41186  1   297 296 278   -0.14100
 C       1.39367  1    120.42134  1    180.20267  1   298 297 296   -0.15310
 C       1.39456  1    120.05191  1      0.39980  1   299 298 297   -0.16140
 C       1.39438  1    119.76439  1      0.32476  1   300 299 298   -0.13870
 C       1.39487  1    120.49190  1    359.52056  1   301 300 299   -0.10040
 H       1.11391  1    120.16588  1    178.74076  1   302 301 300    0.21980
 H       1.09971  1    120.25079  1    178.73086  1   301 300 299    0.12740
 H       1.09831  1    120.02153  1    179.60159  1   300 299 298    0.10180
 H       1.09851  1    119.81408  1    179.69654  1   299 298 297    0.10500
 H       1.10044  1    119.68446  1    359.05410  1   298 297 296    0.13210
 H       1.12960  1    110.21657  1     65.85592  1   296 278 277    0.16340
 H       1.12107  1    108.40290  1    183.81650  1   296 278 277    0.11710
 H       1.14079  1    105.96701  1    215.84915  1   278 277   3    0.11200
 H       1.00466  1     97.42298  1    302.43528  1   277   3   2    0.14860
 H       1.00558  1     60.75319  1    196.22478  1   277   3   2    0.15380
 N      11.50103  0     41.84600  0    249.35006  0     3   2   1   -0.33820
 C       1.46571  0     95.67219  0    122.02735  0   313   3   2   -0.09320
 C       1.53380  0    108.58586  0    148.98325  0   314 313   3    0.20050
 O       1.23462  0    124.42499  0    138.84525  0   315 314 313   -0.32220
 H       1.11522  1    115.05371  1    316.80679  1   315 314 313    0.08290
 C       1.54367  1    117.57338  1     27.00703  1   314 313   3   -0.13590
 C       1.51552  1    109.96175  1    189.06599  1   318 314 313   -0.21200
 H       1.11738  1    110.30401  1     66.97842  1   319 318 314    0.06960
 H       1.11760  1    109.95639  1    186.34420  1   319 318 314    0.07960
 H       1.11670  1    111.03057  1    306.62377  1   319 318 314    0.07230
 C       1.51229  1    111.57486  1    310.92701  1   318 314 313   -0.22790
 H       1.11994  1    111.23738  1     71.35841  1   323 318 314    0.10150
 H       1.12007  1    110.38585  1    190.07043  1   323 318 314    0.10840
 H       1.11758  1    110.69801  1    310.11057  1   323 318 314    0.06950
 H       1.12772  1    108.32143  1     69.86126  1   318 314 313    0.10090
 H       1.13003  1    106.26658  1    266.24873  1   314 313   3    0.11850
 H       1.00338  1     20.21981  1    344.84179  1   313   3   2    0.17500
 H       1.00261  1    101.37877  1    233.96560  1   313   3   2    0.14450
 N      14.72332  0    119.88957  0    302.81367  0     3   2   1   -0.32440
 C       1.45021  0     37.30719  0    306.75107  0   331   3   2   -0.08160
 C       1.54346  0    110.63712  0    180.33963  0   332 331   3    0.14290
 O       1.24270  0    122.55259  0    311.49323  0   333 332 331   -0.33430
 H       1.11051  1    115.56552  1    132.80883  1   333 332 331    0.11750
 C       1.53076  1    109.33064  1     59.35158  1   332 331   3   -0.19890
 C       1.51123  1    115.24522  1    186.82099  1   336 332 331    0.30620
 O       1.26780  1    122.43360  1     18.09056  1   337 336 332   -0.59140
 O       1.27364  1    117.26020  1    196.81099  1   337 336 332   -0.59260
 H       1.12385  1    108.79954  1    306.06817  1   336 332 331    0.11490
 H       1.12145  1    109.81050  1     64.20726  1   336 332 331    0.08500
 H       1.12755  1    109.52666  1    299.94943  1   332 331   3    0.14540
 H       1.00296  1    119.97663  1     30.37950  1   331   3   2    0.13760
 H       1.00204  1    128.00742  1    235.15899  1   331   3   2    0.12170
 N      12.38036  0    104.96082  0    284.46983  0     3   2   1   -0.36500
 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    0.27920
 O       1.23555  0    119.95914  0    119.13348  0   347 346 345   -0.42090
 N       1.36644  0    116.12883  0    297.27396  0   347 346 345   -0.36830
 C       1.45852  0    122.03281  0    181.45509  0   349 347 346   -0.04120
 C       1.52059  0    119.21913  0    241.02480  0   350 349 347    0.19590
 O       1.22034  0    112.83439  0    233.01771  0   351 350 349   -0.29650
 H       1.10275  1    120.63319  1     53.66433  1   351 350 349    0.11040
 C       1.54904  1    109.71906  1    113.56540  1   350 349 347   -0.15950
 C       1.52090  1    113.65894  1    294.73021  1   354 350 349   -0.11180
 C       1.51714  1    109.38063  1    167.33925  1   355 354 350   -0.20610
 H       1.11653  1    110.56420  1     55.39100  1   356 355 354    0.06220
 H       1.11779  1    110.57395  1    175.56508  1   356 355 354    0.06610
 H       1.11719  1    110.30827  1    295.51418  1   356 355 354    0.08280
 C       1.51459  1    111.48274  1    289.35768  1   355 354 350   -0.21170
 H       1.11745  1    110.41331  1     64.44647  1   360 355 354    0.08470
 H       1.11800  1    110.36451  1    183.71839  1   360 355 354    0.06860
 H       1.11645  1    110.69099  1    303.84679  1   360 355 354    0.05290
 H       1.12727  1    109.61262  1     49.04093  1   355 354 350    0.09870
 H       1.12329  1    108.34107  1     57.35530  1   354 350 349    0.12440
 H       1.12131  1    108.82381  1    173.90165  1   354 350 349    0.08520
 H       1.13997  1    106.42433  1    357.94848  1   350 349 347    0.10720
 H       1.00294  1    121.56206  1    359.89027  1   349 347 346    0.28460
 C       1.53862  1    113.82535  1    354.34532  1   346 345   3   -0.17620
 C       1.52191  1    113.85538  1    303.12091  1   369 346 345   -0.09790
 C       1.51849  1    112.76529  1     84.03265  1   370 369 346   -0.22020
 H       1.11950  1    111.66418  1     25.26123  1   371 370 369    0.10830
 H       1.11752  1    110.42646  1    145.89708  1   371 370 369    0.07150
 H       1.11700  1    110.54310  1    264.92324  1   371 370 369    0.08370
 C       1.51706  1    109.29396  1    206.50263  1   370 369 346   -0.21080
 H       1.11802  1    110.70084  1     50.86053  1   375 370 369    0.05380
 H       1.11848  1    110.47336  1    171.26243  1   375 370 369    0.07500
 H       1.11714  1    110.33367  1    290.80706  1   375 370 369    0.08690
 H       1.12392  1    108.23320  1    324.58881  1   370 369 346    0.07720
 H       1.12316  1    110.39074  1     65.20525  1   369 346 345    0.10300
 H       1.12340  1    107.05163  1    181.69259  1   369 346 345    0.08070
 H       1.13140  1    106.79667  1    234.32042  1   346 345   3    0.10850
 H       1.00561  1     43.53560  1    154.74577  1   345   3   2    0.20050
 H       1.00052  1    138.99264  1     94.02004  1   345   3   2    0.13860
 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   -0.05860
 C       1.53547  0    112.47589  0     77.79441  0   386 385   3    0.27910
 O       1.24135  0    121.32684  0    140.32846  0   387 386 385   -0.36930
 N       1.30757  0    113.87122  0    319.51944  0   387 386 385   -0.36040
 C       1.46212  0    123.58756  0    180.87103  0   389 387 386   -0.04690
 C       1.53121  0    108.52389  0    269.83224  0   390 389 387    0.17980
 O       1.23565  0    121.25330  0    262.58399  0   391 390 389   -0.31260
 H       1.10940  1    115.94308  1     81.70844  1   391 390 389    0.10720
 C       1.53270  1    113.62617  1    146.89828  1   390 389 387   -0.12870
 C       1.48715  1    113.56440  1    304.61667  1   394 390 389   -0.09730
 C       1.40019  1    121.24158  1    309.98769  1   395 394 390   -0.13020
 C       1.39520  1    120.59623  1    179.67505  1   396 395 394   -0.10430
 C       1.39573  1    119.77016  1      0.18713  1   397 396 395   -0.11640
 C       1.39437  1    120.00946  1      0.33092  1   398 397 396   -0.15190
 C       1.39347  1    120.20200  1    359.67375  1   399 398 397   -0.14270
 H       1.09966  1    119.82857  1    180.83464  1   400 399 398    0.11700
 H       1.09973  1    119.99459  1    180.80667  1   399 398 397    0.11730
 H       1.10143  1    119.67001  1    181.49904  1   398 397 396    0.14470
 H       1.11059  1    120.45619  1    181.21116  1   397 396 395    0.19770
 H       1.10081  1    120.09320  1      0.62022  1   396 395 394    0.13680
 H       1.12431  1    108.86416  1     68.11526  1   394 390 389    0.10020
 H       1.12332  1    107.22931  1    183.73662  1   394 390 389    0.09400
 H       1.13401  1    107.76333  1     25.89495  1   390 389 387    0.13590
 H       0.99680  1    121.65956  1    346.67845  1   389 387 386    0.23690
 C       1.53728  1    110.50690  1    312.96208  1   386 385   3   -0.08450
 C       1.47067  1    110.76368  1    187.67697  1   410 386 385   -0.12770
 N       1.39568  1    124.28180  1     85.33740  1   411 410 386   -0.15220
 C       1.38977  1    106.68184  1    183.55183  1   412 411 410   -0.10920
 N       1.35641  1    111.53120  1    358.99926  1   413 412 411   -0.18320
 C       1.38572  1    105.92035  1      0.09808  1   414 413 412   -0.19480
 H       1.09043  1    122.01579  1    181.42696  1   415 414 413    0.16860
 H       1.09370  1    123.24868  1    180.07335  1   413 412 411    0.18940
 H       1.00218  1    124.99339  1    357.07574  1   412 411 410    0.31100
 H       1.13010  1    107.98374  1    307.93689  1   410 386 385    0.14930
 H       1.12154  1    110.47823  1     66.40958  1   410 386 385    0.08290
 H       1.13336  1    106.70470  1    195.45591  1   386 385   3    0.16660
 H       0.99876  1     71.07138  1    196.04383  1   385   3   2    0.14250
 H       0.99765  1    123.74492  1     93.74735  1   385   3   2    0.13980
 O       3.37296  0    100.11538  0    322.17998  0     3   2   1   -0.41960
 H       0.96466  1     62.63273  1    300.26880  1   424   3   2    0.21540
 H       0.96023  1    164.35121  1    275.34541  1   424   3   2    0.19890

