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 C       1.48617  1    112.91434  1    211.64547  1   234 230 229   -0.09650
 C       1.39885  1    120.45016  1    243.44542  1   235 234 230   -0.11950
 C       1.39564  1    120.27002  1    182.90867  1   236 235 234   -0.11690
 C       1.39538  1    120.12427  1    359.06656  1   237 236 235   -0.14620
 C       1.39556  1    119.80589  1      0.13618  1   238 237 236   -0.13410
 C       1.39292  1    120.14270  1      0.41688  1   239 238 237   -0.12820
 H       1.09955  1    119.92653  1    179.69307  1   240 239 238    0.11510
 H       1.10014  1    119.81414  1    180.07956  1   239 238 237    0.13430
 H       1.10480  1    119.83294  1    179.61452  1   238 237 236    0.17030
 H       1.10325  1    119.98379  1    178.81345  1   237 236 235    0.16790
 H       1.10075  1    120.19671  1      2.13657  1   236 235 234    0.13800
 H       1.12525  1    109.33010  1    332.35188  1   234 230 229    0.08370
 H       1.12306  1    109.42217  1     89.04038  1   234 230 229    0.09000
 H       1.13046  1    106.94252  1    194.48728  1   230 229   3    0.14020
 H       1.00136  1    117.54382  1      6.20562  1   229   3   2    0.14440
 H       1.00164  1     71.23719  1    264.59587  1   229   3   2    0.13130
 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   -0.29920
 H       1.11124  1    116.74314  1    347.77528  1   253 252 251    0.07930
 C       1.53931  1    115.76647  1    338.55988  1   252 251   3   -0.10250
 C       1.46926  1    109.60262  1    291.14200  1   256 252 251   -0.17100
 C       1.39127  1    127.30443  1    110.74606  1   257 256 252   -0.06380
 N       1.40166  1    110.65009  1    184.03735  1   258 257 256   -0.20520
 C       1.40579  1    107.59375  1    355.75612  1   259 258 257   -0.02270
 C       1.44449  1    108.32664  1      3.89278  1   260 259 258   -0.07550
 C       1.39490  1    119.49193  1    177.91468  1   261 260 259   -0.09330
 C       1.38823  1    118.89821  1    359.62804  1   262 261 260   -0.14770
 C       1.40582  1    121.34927  1      0.00000  1   263 262 261   -0.10070
 C       1.38809  1    121.44985  1      0.35100  1   264 263 262   -0.16340
 H       1.09820  1    121.19218  1    179.63690  1   265 264 263    0.13010
 H       1.10411  1    118.51805  1    179.97166  1   264 263 262    0.15910
 H       1.10084  1    119.90957  1    179.23381  1   263 262 261    0.14500
 H       1.10003  1    120.16021  1    178.69711  1   262 261 260    0.13840
 H       0.98952  1    122.88099  1    202.91441  1   259 258 257    0.23950
 H       1.09373  1    129.22663  1      1.70980  1   258 257 256    0.16370
 H       1.12142  1    110.45214  1     53.31741  1   256 252 251    0.08300
 H       1.12485  1    108.56016  1    171.50421  1   256 252 251    0.11640
 H       1.14121  1    105.29427  1    221.94031  1   252 251   3    0.13240
 H       1.00458  1     90.02282  1    321.43830  1   251   3   2    0.16580
 H       1.00388  1     60.51735  1    211.35374  1   251   3   2    0.12940
 N       8.67740  0     38.22060  0    193.99078  0     3   2   1   -0.34270
 C       1.42114  0     58.23409  0     50.35430  0   277   3   2   -0.04250
 C       1.53309  0    116.04025  0    101.50935  0   278 277   3    0.32960
 O       1.21854  0    114.35152  0    130.77104  0   279 278 277   -0.41740
 N       1.34627  0    124.98155  0    307.65807  0   279 278 277   -0.31100
 C       1.44346  0    119.05048  0    178.55598  0   281 279 278   -0.03110
 C       1.53151  0    110.56490  0    303.77749  0   282 281 279    0.19140
 O       1.24540  0    121.78839  0    134.73572  0   283 282 281   -0.32460
 H       1.11018  1    116.80045  1    314.78020  1   283 282 281    0.09440
 C       1.54416  1    107.46276  1    183.21011  1   282 281 279   -0.15680
 C       1.52564  1    105.72458  1    351.63617  1   286 282 281   -0.16660
 C       1.53871  1    106.48003  1     12.20028  1   287 286 282   -0.05040
 H       1.12538  1    109.60498  1    106.91492  1   288 287 286    0.06850
 H       1.13298  1    110.99352  1    227.42856  1   288 287 286    0.19210
 H       1.11692  1    111.51659  1    132.76413  1   287 286 282    0.07570
 H       1.12008  1    110.87634  1    252.94084  1   287 286 282    0.11600
 H       1.11791  1    110.58556  1    111.88016  1   286 282 281    0.07210
 H       1.11718  1    109.87486  1    231.17733  1   286 282 281    0.10540
 H       1.13167  1    109.76607  1     63.01299  1   282 281 279    0.13400
 C       1.54680  1    114.97163  1    334.01266  1   278 277   3   -0.18830
 C       1.48930  1    111.04607  1    304.77229  1   296 278 277   -0.07670
 C       1.40061  1    120.68987  1    300.65510  1   297 296 278   -0.13810
 C       1.39356  1    120.32838  1    180.15608  1   298 297 296   -0.15350
 C       1.39531  1    120.08855  1      0.42539  1   299 298 297   -0.15990
 C       1.39445  1    119.79554  1      0.33198  1   300 299 298   -0.13150
 C       1.39508  1    120.46618  1    359.46778  1   301 300 299   -0.10020
 H       1.11399  1    120.05761  1    178.75113  1   302 301 300    0.21920
 H       1.09971  1    120.27682  1    178.62947  1   301 300 299    0.12860
 H       1.09844  1    120.00304  1    179.54522  1   300 299 298    0.10390
 H       1.09861  1    119.77533  1    179.65248  1   299 298 297    0.10780
 H       1.10027  1    119.80258  1    358.95549  1   298 297 296    0.13170
 H       1.12982  1    110.21701  1     66.47417  1   296 278 277    0.15970
 H       1.12138  1    108.53150  1    184.54564  1   296 278 277    0.11350
 H       1.14003  1    106.22231  1    216.13281  1   278 277   3    0.11870
 H       1.00464  1     98.15342  1    302.82112  1   277   3   2    0.15320
 H       1.00542  1     60.34094  1    196.85358  1   277   3   2    0.15360
 N      11.50103  0     41.84600  0    249.35006  0     3   2   1   -0.34040
 C       1.46571  0     95.67219  0    122.02735  0   313   3   2   -0.09520
 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   -0.31540
 H       1.11512  1    115.04771  1    317.51998  1   315 314 313    0.08330
 C       1.54288  1    116.51327  1     25.75452  1   314 313   3   -0.13300
 C       1.51453  1    110.11084  1    189.00154  1   318 314 313   -0.21230
 H       1.11746  1    110.36640  1     66.57032  1   319 318 314    0.07360
 H       1.11764  1    109.99820  1    186.03052  1   319 318 314    0.08410
 H       1.11690  1    110.81372  1    306.35774  1   319 318 314    0.07470
 C       1.51537  1    111.06641  1    310.82113  1   318 314 313   -0.22960
 H       1.11964  1    110.99114  1     71.99505  1   323 318 314    0.08530
 H       1.11979  1    110.13509  1    191.27115  1   323 318 314    0.10290
 H       1.11756  1    110.80784  1    311.29904  1   323 318 314    0.07680
 H       1.12788  1    108.39568  1     69.55805  1   318 314 313    0.10060
 H       1.13074  1    106.26382  1    265.81334  1   314 313   3    0.12080
 H       1.00358  1     21.55005  1    347.99974  1   313   3   2    0.17230
 H       1.00170  1    100.29935  1    233.96342  1   313   3   2    0.14530
 N      14.72332  0    119.88957  0    302.81367  0     3   2   1   -0.33130
 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    0.15310
 O       1.24270  0    122.55259  0    311.49323  0   333 332 331   -0.33720
 H       1.11011  1    115.37801  1    133.06912  1   333 332 331    0.12010
 C       1.52876  1    110.35221  1     58.02019  1   332 331   3   -0.21040
 C       1.51200  1    115.84688  1    186.01603  1   336 332 331    0.30950
 O       1.26734  1    122.49021  1     19.68369  1   337 336 332   -0.59100
 O       1.27251  1    116.80037  1    198.35947  1   337 336 332   -0.58790
 H       1.12434  1    108.73295  1    305.21631  1   336 332 331    0.11260
 H       1.12202  1    109.74820  1     63.32794  1   336 332 331    0.08390
 H       1.12896  1    108.53668  1    298.70732  1   332 331   3    0.14500
 H       1.00213  1    103.16505  1     53.26576  1   331   3   2    0.13400
 H       1.00176  1    142.76554  1    268.14020  1   331   3   2    0.12650
 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    0.28230
 O       1.23555  0    119.95914  0    119.13348  0   347 346 345   -0.42350
 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   -0.04220
 C       1.52059  0    119.21913  0    241.02480  0   350 349 347    0.19600
 O       1.22034  0    112.83439  0    233.01771  0   351 350 349   -0.29700
 H       1.10275  1    120.66462  1     53.65822  1   351 350 349    0.10840
 C       1.54781  1    110.14725  1    113.16043  1   350 349 347   -0.15550
 C       1.51960  1    113.54027  1    293.95531  1   354 350 349   -0.11460
 C       1.51686  1    109.34462  1    170.56137  1   355 354 350   -0.20730
 H       1.11626  1    110.60645  1     58.71046  1   356 355 354    0.06020
 H       1.11796  1    110.43188  1    178.82576  1   356 355 354    0.06940
 H       1.11760  1    110.30022  1    298.62719  1   356 355 354    0.08750
 C       1.51455  1    111.71515  1    292.80960  1   355 354 350   -0.21140
 H       1.11792  1    110.43905  1     67.61006  1   360 355 354    0.08570
 H       1.11816  1    110.38135  1    186.77108  1   360 355 354    0.06680
 H       1.11646  1    110.72745  1    306.88226  1   360 355 354    0.05130
 H       1.12777  1    109.29442  1     52.29552  1   355 354 350    0.09940
 H       1.12301  1    108.58498  1     56.87922  1   354 350 349    0.12520
 H       1.12185  1    108.76128  1    173.49151  1   354 350 349    0.08390
 H       1.14063  1    106.30745  1    357.48911  1   350 349 347    0.10630
 H       1.00317  1    121.46099  1    358.96950  1   349 347 346    0.28590
 C       1.53803  1    113.66345  1    353.61823  1   346 345   3   -0.17440
 C       1.52300  1    113.51552  1    304.02865  1   369 346 345   -0.10030
 C       1.51851  1    112.85400  1     86.54130  1   370 369 346   -0.21750
 H       1.11929  1    111.64573  1     25.09743  1   371 370 369    0.10920
 H       1.11834  1    110.46789  1    145.78631  1   371 370 369    0.06860
 H       1.11690  1    110.63473  1    265.07542  1   371 370 369    0.08280
 C       1.51623  1    109.31646  1    209.23571  1   370 369 346   -0.20980
 H       1.11790  1    110.43689  1     54.40496  1   375 370 369    0.05230
 H       1.11841  1    110.56324  1    174.69788  1   375 370 369    0.06860
 H       1.11734  1    110.31053  1    294.38584  1   375 370 369    0.09340
 H       1.12447  1    108.27011  1    327.23172  1   370 369 346    0.07610
 H       1.12297  1    110.38999  1     66.03056  1   369 346 345    0.10520
 H       1.12363  1    107.23643  1    182.59082  1   369 346 345    0.08210
 H       1.13196  1    106.62353  1    233.95584  1   346 345   3    0.10550
 H       1.00606  1     42.55911  1    158.47010  1   345   3   2    0.20030
 H       1.00090  1    135.94521  1     94.65254  1   345   3   2    0.13790
 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   -0.06010
 C       1.53547  0    112.47589  0     77.79441  0   386 385   3    0.27640
 O       1.24135  0    121.32684  0    140.32846  0   387 386 385   -0.36150
 N       1.30757  0    113.87122  0    319.51944  0   387 386 385   -0.36370
 C       1.46212  0    123.58756  0    180.87103  0   389 387 386   -0.04740
 C       1.53121  0    108.52389  0    269.83224  0   390 389 387    0.18170
 O       1.23565  0    121.25330  0    262.58399  0   391 390 389   -0.31620
 H       1.10942  1    115.94129  1     81.68344  1   391 390 389    0.10800
 C       1.53038  1    114.14568  1    146.76332  1   390 389 387   -0.12970
 C       1.48622  1    114.62994  1    302.13805  1   394 390 389   -0.09340
 C       1.40040  1    121.91939  1    315.35041  1   395 394 390   -0.12730
 C       1.39434  1    120.67219  1    181.73740  1   396 395 394   -0.10350
 C       1.39598  1    119.78399  1      0.26931  1   397 396 395   -0.12090
 C       1.39286  1    120.00587  1    359.80300  1   398 397 396   -0.15410
 C       1.39424  1    120.19206  1    359.93319  1   399 398 397   -0.14510
 H       1.09944  1    119.81180  1    180.86890  1   400 399 398    0.11500
 H       1.09963  1    120.11153  1    180.76244  1   399 398 397    0.11340
 H       1.10079  1    119.45947  1    180.47817  1   398 397 396    0.14200
 H       1.11105  1    120.40969  1    181.13001  1   397 396 395    0.20430
 H       1.10140  1    120.25349  1      2.57413  1   396 395 394    0.14110
 H       1.12431  1    108.89961  1     66.39303  1   394 390 389    0.09930
 H       1.12490  1    106.91536  1    181.41636  1   394 390 389    0.09410
 H       1.13492  1    107.58912  1     25.92171  1   390 389 387    0.13790
 H       0.99649  1    121.66992  1    346.88069  1   389 387 386    0.23560
 C       1.53756  1    111.82887  1    312.84978  1   386 385   3   -0.07830
 C       1.47219  1    109.36700  1    187.70259  1   410 386 385   -0.14710
 N       1.39676  1    124.09742  1     91.47754  1   411 410 386   -0.15930
 C       1.39183  1    106.58639  1    187.38235  1   412 411 410   -0.09290
 N       1.35531  1    111.63534  1    358.33217  1   413 412 411   -0.15590
 C       1.38617  1    105.80084  1      0.28139  1   414 413 412   -0.18450
 H       1.08930  1    121.83224  1    181.40396  1   415 414 413    0.16110
 H       1.09383  1    123.14515  1    180.53898  1   413 412 411    0.18820
 H       1.00049  1    124.72998  1    355.47795  1   412 411 410    0.30260
 H       1.12918  1    108.17361  1    307.97594  1   410 386 385    0.14650
 H       1.12078  1    110.54630  1     66.80032  1   410 386 385    0.07730
 H       1.13379  1    106.46561  1    195.14178  1   386 385   3    0.16610
 H       0.99884  1     71.05433  1    197.82989  1   385   3   2    0.14150
 H       0.99769  1    122.46803  1     95.36619  1   385   3   2    0.13860
 O       3.37296  0    100.11538  0    322.17998  0     3   2   1   -0.43100
 H       0.96567  1     61.46405  1    313.88948  1   424   3   2    0.22140
 H       0.96183  1    162.38778  1    287.37524  1   424   3   2    0.20430

