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 C       1.48627  1    112.94366  1    211.71850  1   234 230 229   -0.09640
 C       1.39900  1    120.33582  1    243.71682  1   235 234 230   -0.11990
 C       1.39533  1    120.26325  1    182.93347  1   236 235 234   -0.11670
 C       1.39527  1    120.11946  1    359.17262  1   237 236 235   -0.14630
 C       1.39627  1    119.80221  1      0.23523  1   238 237 236   -0.13390
 C       1.39305  1    120.14055  1      0.31937  1   239 238 237   -0.12840
 H       1.09949  1    119.94104  1    179.44008  1   240 239 238    0.11500
 H       1.10015  1    119.89468  1    179.84984  1   239 238 237    0.13420
 H       1.10494  1    119.84149  1    179.71762  1   238 237 236    0.17080
 H       1.10323  1    119.96747  1    178.80585  1   237 236 235    0.16810
 H       1.10066  1    120.23910  1      2.19246  1   236 235 234    0.13800
 H       1.12517  1    109.53599  1    332.05321  1   234 230 229    0.08360
 H       1.12331  1    109.31231  1     88.69153  1   234 230 229    0.08990
 H       1.13063  1    106.86465  1    194.17380  1   230 229   3    0.14050
 H       1.00133  1    117.41800  1      6.17018  1   229   3   2    0.14430
 H       1.00162  1     71.24643  1    264.54271  1   229   3   2    0.13110
 N      10.63207  0    157.78032  0    247.22641  0     3   2   1   -0.32220
 C       1.45686  0     61.45363  0     72.53461  0   251   3   2   -0.11450
 C       1.53079  0    114.33401  0    108.37627  0   252 251   3    0.19530
 O       1.24202  0    122.12129  0    166.61502  0   253 252 251   -0.29930
 H       1.11124  1    116.73885  1    347.78772  1   253 252 251    0.07930
 C       1.53917  1    115.77606  1    338.54304  1   252 251   3   -0.10250
 C       1.46924  1    109.57881  1    291.14224  1   256 252 251   -0.17130
 C       1.39149  1    127.28544  1    110.65395  1   257 256 252   -0.06380
 N       1.40198  1    110.62167  1    184.01106  1   258 257 256   -0.20540
 C       1.40589  1    107.61946  1    355.79877  1   259 258 257   -0.02250
 C       1.44444  1    108.30708  1      3.84069  1   260 259 258   -0.07570
 C       1.39495  1    119.49790  1    177.90662  1   261 260 259   -0.09320
 C       1.38817  1    118.90173  1    359.61939  1   262 261 260   -0.14770
 C       1.40587  1    121.35414  1      0.00000  1   263 262 261   -0.10060
 C       1.38804  1    121.45393  1      0.34002  1   264 263 262   -0.16310
 H       1.09817  1    121.19481  1    179.59040  1   265 264 263    0.13030
 H       1.10414  1    118.50937  1    179.98764  1   264 263 262    0.15920
 H       1.10084  1    119.91179  1    179.26882  1   263 262 261    0.14490
 H       1.09996  1    120.17279  1    178.72524  1   262 261 260    0.13830
 H       0.98961  1    122.88359  1    202.76989  1   259 258 257    0.23970
 H       1.09369  1    129.22593  1      1.60017  1   258 257 256    0.16380
 H       1.12149  1    110.43278  1     53.34383  1   256 252 251    0.08290
 H       1.12479  1    108.56869  1    171.53396  1   256 252 251    0.11640
 H       1.14112  1    105.30913  1    221.94765  1   252 251   3    0.13250
 H       1.00458  1     90.03613  1    321.44839  1   251   3   2    0.16580
 H       1.00386  1     60.52451  1    211.37276  1   251   3   2    0.12940
 N       8.67740  0     38.22060  0    193.99078  0     3   2   1   -0.34320
 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    0.32970
 O       1.21854  0    114.35152  0    130.77104  0   279 278 277   -0.41780
 N       1.34627  0    124.98155  0    307.65807  0   279 278 277   -0.31050
 C       1.44346  0    119.05048  0    178.55598  0   281 279 278   -0.03150
 C       1.53151  0    110.56490  0    303.77749  0   282 281 279    0.19120
 O       1.24540  0    121.78839  0    134.73572  0   283 282 281   -0.32440
 H       1.11018  1    116.80301  1    314.78611  1   283 282 281    0.09400
 C       1.54446  1    107.46694  1    183.21328  1   282 281 279   -0.15660
 C       1.52559  1    105.72438  1    351.68940  1   286 282 281   -0.16720
 C       1.53878  1    106.48215  1     12.02397  1   287 286 282   -0.05000
 H       1.12541  1    109.58297  1    107.06489  1   288 287 286    0.06790
 H       1.13289  1    110.99016  1    227.55229  1   288 287 286    0.19170
 H       1.11702  1    111.48843  1    132.70251  1   287 286 282    0.07590
 H       1.11994  1    110.87298  1    252.83102  1   287 286 282    0.11640
 H       1.11772  1    110.65221  1    111.97213  1   286 282 281    0.07180
 H       1.11742  1    109.79778  1    231.26362  1   286 282 281    0.10590
 H       1.13180  1    109.76564  1     63.01783  1   282 281 279    0.13580
 C       1.54656  1    114.93703  1    333.96126  1   278 277   3   -0.18870
 C       1.48943  1    111.08003  1    304.71465  1   296 278 277   -0.07630
 C       1.40079  1    120.69393  1    300.58007  1   297 296 278   -0.13840
 C       1.39354  1    120.32876  1    180.15512  1   298 297 296   -0.15340
 C       1.39463  1    120.08245  1      0.41698  1   299 298 297   -0.16010
 C       1.39420  1    119.78829  1      0.32012  1   300 299 298   -0.13130
 C       1.39505  1    120.45753  1    359.45473  1   301 300 299   -0.10070
 H       1.11395  1    120.06909  1    178.72317  1   302 301 300    0.21930
 H       1.09972  1    120.29311  1    178.64230  1   301 300 299    0.12870
 H       1.09839  1    119.98004  1    179.54842  1   300 299 298    0.10390
 H       1.09859  1    119.79813  1    179.65555  1   299 298 297    0.10780
 H       1.10027  1    119.79576  1    358.95912  1   298 297 296    0.13150
 H       1.12979  1    110.21171  1     66.44828  1   296 278 277    0.16020
 H       1.12105  1    108.57271  1    184.53829  1   296 278 277    0.11310
 H       1.14002  1    106.21576  1    216.10509  1   278 277   3    0.11820
 H       1.00459  1     98.23795  1    302.88028  1   277   3   2    0.15330
 H       1.00547  1     60.34987  1    196.93153  1   277   3   2    0.15380
 N      11.50103  0     41.84600  0    249.35006  0     3   2   1   -0.34070
 C       1.46571  0     95.67219  0    122.02735  0   313   3   2   -0.09540
 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   -0.31590
 H       1.11513  1    115.05948  1    317.53607  1   315 314 313    0.08300
 C       1.54300  1    116.51790  1     25.76782  1   314 313   3   -0.13290
 C       1.51447  1    110.10622  1    189.08604  1   318 314 313   -0.21210
 H       1.11747  1    110.37343  1     66.62169  1   319 318 314    0.07350
 H       1.11761  1    109.99297  1    186.05390  1   319 318 314    0.08390
 H       1.11688  1    110.81301  1    306.37502  1   319 318 314    0.07430
 C       1.51537  1    111.09361  1    310.94199  1   318 314 313   -0.22950
 H       1.11967  1    110.98252  1     72.09530  1   323 318 314    0.08520
 H       1.11987  1    110.16695  1    191.35779  1   323 318 314    0.10450
 H       1.11758  1    110.84103  1    311.41839  1   323 318 314    0.07640
 H       1.12784  1    108.39585  1     69.67593  1   318 314 313    0.10040
 H       1.13066  1    106.27201  1    265.81937  1   314 313   3    0.12080
 H       1.00357  1     21.43686  1    347.88736  1   313   3   2    0.17190
 H       1.00174  1    100.34586  1    233.96073  1   313   3   2    0.14610
 N      14.72332  0    119.88957  0    302.81367  0     3   2   1   -0.33100
 C       1.45021  0     37.30719  0    306.75107  0   331   3   2   -0.08120
 C       1.54346  0    110.63712  0    180.33963  0   332 331   3    0.15200
 O       1.24270  0    122.55259  0    311.49323  0   333 332 331   -0.33680
 H       1.11014  1    115.37795  1    133.08983  1   333 332 331    0.12010
 C       1.52840  1    110.35025  1     57.98171  1   332 331   3   -0.20970
 C       1.51207  1    115.78932  1    186.06370  1   336 332 331    0.30930
 O       1.26741  1    122.47980  1     19.68385  1   337 336 332   -0.59120
 O       1.27247  1    116.81642  1    198.32087  1   337 336 332   -0.58790
 H       1.12428  1    108.72538  1    305.24016  1   336 332 331    0.11280
 H       1.12192  1    109.78975  1     63.35716  1   336 332 331    0.08400
 H       1.12898  1    108.52031  1    298.67576  1   332 331   3    0.14500
 H       1.00226  1    103.99477  1     52.15331  1   331   3   2    0.13410
 H       1.00212  1    142.13225  1    266.04778  1   331   3   2    0.12640
 N      12.38036  0    104.96082  0    284.46983  0     3   2   1   -0.36460
 C       1.45859  0     70.22530  0    354.34928  0   345   3   2   -0.02950
 C       1.51962  0    111.83760  0    117.38431  0   346 345   3    0.28230
 O       1.23555  0    119.95914  0    119.13348  0   347 346 345   -0.42310
 N       1.36644  0    116.12883  0    297.27396  0   347 346 345   -0.36690
 C       1.45852  0    122.03281  0    181.45509  0   349 347 346   -0.04240
 C       1.52059  0    119.21913  0    241.02480  0   350 349 347    0.19610
 O       1.22034  0    112.83439  0    233.01771  0   351 350 349   -0.29710
 H       1.10276  1    120.66476  1     53.65860  1   351 350 349    0.10860
 C       1.54764  1    110.26854  1    113.11327  1   350 349 347   -0.15580
 C       1.51942  1    113.64008  1    293.61421  1   354 350 349   -0.11450
 C       1.51699  1    109.27972  1    170.45296  1   355 354 350   -0.21020
 H       1.11643  1    110.52043  1     58.58820  1   356 355 354    0.06100
 H       1.11799  1    110.47466  1    178.67150  1   356 355 354    0.07020
 H       1.11750  1    110.34753  1    298.53135  1   356 355 354    0.08810
 C       1.51471  1    111.64249  1    292.54099  1   355 354 350   -0.20540
 H       1.11783  1    110.43593  1     67.56219  1   360 355 354    0.08400
 H       1.11813  1    110.36911  1    186.72789  1   360 355 354    0.06490
 H       1.11649  1    110.72288  1    306.81387  1   360 355 354    0.05080
 H       1.12758  1    109.31632  1     52.11817  1   355 354 350    0.09840
 H       1.12311  1    108.54292  1     56.79263  1   354 350 349    0.12500
 H       1.12194  1    108.79432  1    173.32499  1   354 350 349    0.08380
 H       1.14068  1    106.28107  1    357.48742  1   350 349 347    0.10630
 H       1.00312  1    121.46246  1    358.98118  1   349 347 346    0.28570
 C       1.53805  1    113.64812  1    353.63837  1   346 345   3   -0.17430
 C       1.52289  1    113.52617  1    303.87296  1   369 346 345   -0.09960
 C       1.51845  1    112.83286  1     86.46396  1   370 369 346   -0.21900
 H       1.11909  1    111.69614  1     25.06914  1   371 370 369    0.10910
 H       1.11845  1    110.44975  1    145.56336  1   371 370 369    0.06920
 H       1.11697  1    110.58308  1    264.85698  1   371 370 369    0.08320
 C       1.51651  1    109.31877  1    209.19222  1   370 369 346   -0.21090
 H       1.11769  1    110.46155  1     54.36578  1   375 370 369    0.05280
 H       1.11837  1    110.54159  1    174.55642  1   375 370 369    0.06930
 H       1.11723  1    110.29165  1    294.18547  1   375 370 369    0.09360
 H       1.12443  1    108.25496  1    327.20826  1   370 369 346    0.07610
 H       1.12303  1    110.37408  1     65.90999  1   369 346 345    0.10470
 H       1.12350  1    107.23319  1    182.43162  1   369 346 345    0.08220
 H       1.13200  1    106.62362  1    233.95360  1   346 345   3    0.10570
 H       1.00598  1     42.59323  1    158.44784  1   345   3   2    0.20040
 H       1.00079  1    136.03196  1     94.65550  1   345   3   2    0.13790
 N      10.68735  0    128.65141  0    312.98371  0     3   2   1   -0.34830
 C       1.48631  0     40.52725  0     11.00505  0   385   3   2   -0.05980
 C       1.53547  0    112.47589  0     77.79441  0   386 385   3    0.27670
 O       1.24135  0    121.32684  0    140.32846  0   387 386 385   -0.36230
 N       1.30757  0    113.87122  0    319.51944  0   387 386 385   -0.36350
 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    0.18100
 O       1.23565  0    121.25330  0    262.58399  0   391 390 389   -0.31590
 H       1.10946  1    115.96325  1     81.70460  1   391 390 389    0.10780
 C       1.53113  1    114.08184  1    146.86693  1   390 389 387   -0.12960
 C       1.48674  1    114.40099  1    302.15171  1   394 390 389   -0.09210
 C       1.40002  1    121.73063  1    314.88163  1   395 394 390   -0.12940
 C       1.39491  1    120.64883  1    181.69218  1   396 395 394   -0.10320
 C       1.39576  1    119.76674  1      0.29276  1   397 396 395   -0.12190
 C       1.39463  1    119.99004  1    359.78691  1   398 397 396   -0.15180
 C       1.39367  1    120.17704  1    359.94584  1   399 398 397   -0.14890
 H       1.09951  1    119.82581  1    180.71453  1   400 399 398    0.11580
 H       1.09933  1    120.06338  1    180.82359  1   399 398 397    0.11360
 H       1.10062  1    119.57426  1    180.57735  1   398 397 396    0.14310
 H       1.11100  1    120.38411  1    181.09430  1   397 396 395    0.20400
 H       1.10128  1    120.25068  1      2.41236  1   396 395 394    0.14190
 H       1.12411  1    108.96708  1     66.15720  1   394 390 389    0.09960
 H       1.12458  1    106.98520  1    181.50113  1   394 390 389    0.09440
 H       1.13439  1    107.66375  1     25.64860  1   390 389 387    0.13760
 H       0.99654  1    121.66686  1    346.86762  1   389 387 386    0.23580
 C       1.53788  1    111.64698  1    312.81242  1   386 385   3   -0.07880
 C       1.47207  1    109.53922  1    187.73108  1   410 386 385   -0.14440
 N       1.39722  1    124.06430  1     91.41304  1   411 410 386   -0.15910
 C       1.39169  1    106.58718  1    186.18381  1   412 411 410   -0.09510
 N       1.35538  1    111.63155  1    358.32506  1   413 412 411   -0.15690
 C       1.38614  1    105.82864  1      0.32789  1   414 413 412   -0.18720
 H       1.08927  1    121.84367  1    181.40176  1   415 414 413    0.16200
 H       1.09391  1    123.18807  1    180.31478  1   413 412 411    0.18870
 H       1.00068  1    124.73159  1    355.45959  1   412 411 410    0.30360
 H       1.12915  1    108.17267  1    307.96781  1   410 386 385    0.14690
 H       1.12098  1    110.55002  1     66.75025  1   410 386 385    0.07770
 H       1.13379  1    106.47844  1    195.16731  1   386 385   3    0.16630
 H       0.99888  1     71.05460  1    197.76987  1   385   3   2    0.14160
 H       0.99772  1    122.53820  1     95.32567  1   385   3   2    0.13860
 O       3.37296  0    100.11538  0    322.17998  0     3   2   1   -0.43080
 H       0.96560  1     61.45474  1    313.72551  1   424   3   2    0.22100
 H       0.96170  1    162.41343  1    287.12972  1   424   3   2    0.20430

