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 C       1.39960  1    120.40841  1    258.78573  1   235 234 230   -0.11610
 C       1.39373  1    120.39349  1    185.08962  1   236 235 234   -0.12140
 C       1.39578  1    120.07896  1    359.81313  1   237 236 235   -0.10620
 C       1.39577  1    119.77627  1    359.01883  1   238 237 236   -0.14970
 C       1.39391  1    120.18379  1      0.82008  1   239 238 237   -0.12210
 H       1.09961  1    119.94596  1    179.59110  1   240 239 238    0.12120
 H       1.10151  1    119.57979  1    179.95285  1   239 238 237    0.14020
 H       1.10359  1    119.88380  1    179.18083  1   238 237 236    0.17040
 H       1.10180  1    120.19375  1    179.52111  1   237 236 235    0.15810
 H       1.10016  1    119.94362  1      4.16372  1   236 235 234    0.12320
 H       1.12567  1    107.98272  1    307.68090  1   234 230 229    0.08290
 H       1.12387  1    108.83065  1     63.43672  1   234 230 229    0.08200
 H       1.12852  1    107.82498  1    194.91665  1   230 229   3    0.13690
 H       1.00119  1    118.76582  1      7.91107  1   229   3   2    0.14380
 H       1.00166  1     71.06230  1    266.58328  1   229   3   2    0.13270
 N      10.63207  0    157.78032  0    247.22641  0     3   2   1   -0.32030
 C       1.45686  0     61.45363  0     72.53461  0   251   3   2   -0.11530
 C       1.53079  0    114.33401  0    108.37627  0   252 251   3    0.19430
 O       1.24202  0    122.12129  0    166.61502  0   253 252 251   -0.29860
 H       1.11128  1    116.74736  1    347.75122  1   253 252 251    0.07920
 C       1.53902  1    115.99976  1    338.61055  1   252 251   3   -0.10260
 C       1.46895  1    109.52749  1    290.39360  1   256 252 251   -0.17170
 C       1.39061  1    127.17031  1    110.48039  1   257 256 252   -0.06510
 N       1.40300  1    110.63326  1    184.28826  1   258 257 256   -0.20700
 C       1.40639  1    107.59791  1    355.78633  1   259 258 257   -0.02260
 C       1.44582  1    108.28685  1      3.85285  1   260 259 258   -0.07320
 C       1.39194  1    119.36123  1    178.12012  1   261 260 259   -0.09380
 C       1.38768  1    119.04887  1    359.48165  1   262 261 260   -0.14770
 C       1.40569  1    121.32263  1      0.00000  1   263 262 261   -0.10110
 C       1.38875  1    121.37914  1      0.52249  1   264 263 262   -0.16300
 H       1.09809  1    121.16762  1    179.57779  1   265 264 263    0.12970
 H       1.10407  1    118.59802  1    180.14824  1   264 263 262    0.16030
 H       1.10083  1    119.89267  1    179.27087  1   263 262 261    0.14490
 H       1.10020  1    120.09512  1    178.62430  1   262 261 260    0.13820
 H       0.98937  1    122.47607  1    204.30914  1   259 258 257    0.23630
 H       1.09455  1    129.14295  1      2.22538  1   258 257 256    0.16770
 H       1.12166  1    110.45012  1     52.57394  1   256 252 251    0.08240
 H       1.12460  1    108.56656  1    170.79688  1   256 252 251    0.11710
 H       1.14123  1    105.26261  1    221.92819  1   252 251   3    0.13300
 H       1.00462  1     89.11434  1    320.97785  1   251   3   2    0.16570
 H       1.00405  1     61.00280  1    210.63696  1   251   3   2    0.12860
 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   -0.04590
 C       1.53309  0    116.04025  0    101.50935  0   278 277   3    0.33020
 O       1.21854  0    114.35152  0    130.77104  0   279 278 277   -0.41820
 N       1.34627  0    124.98155  0    307.65807  0   279 278 277   -0.30960
 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    0.19260
 O       1.24540  0    121.78839  0    134.73572  0   283 282 281   -0.32590
 H       1.11014  1    116.77574  1    314.79046  1   283 282 281    0.09540
 C       1.54591  1    107.21469  1    183.63593  1   282 281 279   -0.15800
 C       1.52568  1    105.65528  1    350.52951  1   286 282 281   -0.16600
 C       1.53871  1    106.34920  1     14.07055  1   287 286 282   -0.05050
 H       1.12538  1    109.86988  1    105.14022  1   288 287 286    0.07060
 H       1.13280  1    111.04962  1    225.86862  1   288 287 286    0.19140
 H       1.11661  1    111.64255  1    134.75986  1   287 286 282    0.07750
 H       1.12014  1    110.77265  1    254.95761  1   287 286 282    0.11320
 H       1.11780  1    110.54125  1    110.77227  1   286 282 281    0.07230
 H       1.11705  1    109.84568  1    230.15305  1   286 282 281    0.10490
 H       1.13131  1    109.89572  1     63.38759  1   282 281 279    0.13310
 C       1.54614  1    115.07176  1    333.39690  1   278 277   3   -0.18720
 C       1.48943  1    110.93259  1    305.46230  1   296 278 277   -0.07720
 C       1.40071  1    120.67546  1    299.56979  1   297 296 278   -0.13870
 C       1.39342  1    120.31903  1    179.97500  1   298 297 296   -0.15170
 C       1.39419  1    120.11540  1      0.40546  1   299 298 297   -0.16000
 C       1.39438  1    119.81517  1      0.49405  1   300 299 298   -0.13110
 C       1.39520  1    120.38866  1    359.25238  1   301 300 299   -0.10120
 H       1.11403  1    120.06205  1    178.60964  1   302 301 300    0.21930
 H       1.09963  1    120.34492  1    178.52798  1   301 300 299    0.12910
 H       1.09847  1    119.98564  1    179.64616  1   300 299 298    0.10400
 H       1.09866  1    119.76424  1    179.70341  1   299 298 297    0.10760
 H       1.10032  1    119.77552  1    358.81939  1   298 297 296    0.13190
 H       1.12979  1    110.19732  1     67.19769  1   296 278 277    0.16000
 H       1.12140  1    108.54217  1    185.31429  1   296 278 277    0.11370
 H       1.14088  1    106.27157  1    215.69637  1   278 277   3    0.11830
 H       1.00385  1    102.76320  1    305.55593  1   277   3   2    0.15180
 H       1.00532  1     58.00327  1    202.54171  1   277   3   2    0.15620
 N      11.50103  0     41.84600  0    249.35006  0     3   2   1   -0.34090
 C       1.46571  0     95.67219  0    122.02735  0   313   3   2   -0.09470
 C       1.53380  0    108.58586  0    148.98325  0   314 313   3    0.20190
 O       1.23462  0    124.42499  0    138.84525  0   315 314 313   -0.31510
 H       1.11510  1    115.05720  1    317.54968  1   315 314 313    0.08350
 C       1.54266  1    116.51150  1     25.73193  1   314 313   3   -0.13300
 C       1.51449  1    110.15090  1    189.62896  1   318 314 313   -0.21370
 H       1.11746  1    110.38683  1     67.99791  1   319 318 314    0.07460
 H       1.11768  1    109.95932  1    187.41596  1   319 318 314    0.08380
 H       1.11690  1    110.82323  1    307.73181  1   319 318 314    0.07590
 C       1.51513  1    111.08930  1    311.48507  1   318 314 313   -0.22700
 H       1.11960  1    111.04952  1     71.67116  1   323 318 314    0.08540
 H       1.11962  1    110.04321  1    190.93206  1   323 318 314    0.09830
 H       1.11740  1    110.80081  1    310.86183  1   323 318 314    0.07840
 H       1.12788  1    108.34984  1     70.32121  1   318 314 313    0.09940
 H       1.13074  1    106.25509  1    265.81314  1   314 313   3    0.12090
 H       1.00355  1     21.73948  1    348.16101  1   313   3   2    0.17280
 H       1.00149  1    100.21050  1    233.95770  1   313   3   2    0.14520
 N      14.72332  0    119.88957  0    302.81367  0     3   2   1   -0.33600
 C       1.45021  0     37.30719  0    306.75107  0   331   3   2   -0.08080
 C       1.54346  0    110.63712  0    180.33963  0   332 331   3    0.16050
 O       1.24270  0    122.55259  0    311.49323  0   333 332 331   -0.33850
 H       1.10991  1    115.27813  1    133.20478  1   333 332 331    0.12110
 C       1.52838  1    110.96527  1     57.60672  1   332 331   3   -0.21510
 C       1.51326  1    116.12394  1    186.16232  1   336 332 331    0.31220
 O       1.26688  1    122.55783  1     19.97749  1   337 336 332   -0.59020
 O       1.27257  1    116.54722  1    198.64835  1   337 336 332   -0.58890
 H       1.12442  1    108.68575  1    305.30947  1   336 332 331    0.11060
 H       1.12189  1    109.69730  1     63.36890  1   336 332 331    0.08370
 H       1.12959  1    108.20771  1    298.32027  1   332 331   3    0.14330
 H       1.00237  1     97.44275  1     61.28577  1   331   3   2    0.13420
 H       1.00250  1    146.15655  1    283.13704  1   331   3   2    0.12860
 N      12.38036  0    104.96082  0    284.46983  0     3   2   1   -0.36450
 C       1.45859  0     70.22530  0    354.34928  0   345   3   2   -0.02670
 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   -0.42320
 N       1.36644  0    116.12883  0    297.27396  0   347 346 345   -0.36660
 C       1.45852  0    122.03281  0    181.45509  0   349 347 346   -0.04190
 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   -0.29760
 H       1.10281  1    120.67519  1     53.68042  1   351 350 349    0.10900
 C       1.54879  1    110.01936  1    113.51017  1   350 349 347   -0.15730
 C       1.51981  1    113.77634  1    296.39359  1   354 350 349   -0.10820
 C       1.51680  1    109.50254  1    170.55619  1   355 354 350   -0.20820
 H       1.11631  1    110.65379  1     62.61137  1   356 355 354    0.05950
 H       1.11812  1    110.25416  1    182.76279  1   356 355 354    0.06930
 H       1.11718  1    110.48425  1    302.64077  1   356 355 354    0.08760
 C       1.51416  1    111.49332  1    292.69150  1   355 354 350   -0.21150
 H       1.11817  1    110.43393  1     66.91853  1   360 355 354    0.08650
 H       1.11846  1    110.44704  1    186.10170  1   360 355 354    0.06650
 H       1.11659  1    110.70394  1    306.23227  1   360 355 354    0.05010
 H       1.12776  1    109.56451  1     52.49568  1   355 354 350    0.09680
 H       1.12351  1    108.34127  1     59.23837  1   354 350 349    0.12610
 H       1.12143  1    108.66566  1    175.80509  1   354 350 349    0.08230
 H       1.14020  1    106.41486  1    357.85144  1   350 349 347    0.10610
 H       1.00310  1    121.44826  1    358.77293  1   349 347 346    0.28630
 C       1.53987  1    113.71606  1    354.85894  1   346 345   3   -0.18100
 C       1.52168  1    113.78406  1    299.88764  1   369 346 345   -0.09710
 C       1.51793  1    112.59336  1     84.08242  1   370 369 346   -0.21880
 H       1.11972  1    111.45299  1     28.72533  1   371 370 369    0.11000
 H       1.11833  1    110.38223  1    148.94546  1   371 370 369    0.06620
 H       1.11681  1    110.64317  1    268.33580  1   371 370 369    0.08440
 C       1.51629  1    109.43190  1    206.80233  1   370 369 346   -0.21000
 H       1.11811  1    110.19584  1     56.55410  1   375 370 369    0.05010
 H       1.11855  1    110.57123  1    176.60152  1   375 370 369    0.06860
 H       1.11701  1    110.48441  1    296.40339  1   375 370 369    0.09630
 H       1.12358  1    108.19510  1    324.72570  1   370 369 346    0.07120
 H       1.12399  1    110.18986  1     61.47436  1   369 346 345    0.10890
 H       1.12275  1    107.37585  1    178.15441  1   369 346 345    0.08410
 H       1.13081  1    106.89188  1    234.55384  1   346 345   3    0.10600
 H       1.00603  1     42.30429  1    159.99984  1   345   3   2    0.20030
 H       1.00077  1    134.94944  1     94.94266  1   345   3   2    0.13810
 N      10.68735  0    128.65141  0    312.98371  0     3   2   1   -0.34690
 C       1.48631  0     40.52725  0     11.00505  0   385   3   2   -0.06240
 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   -0.35860
 N       1.30757  0    113.87122  0    319.51944  0   387 386 385   -0.36380
 C       1.46212  0    123.58756  0    180.87103  0   389 387 386   -0.04730
 C       1.53121  0    108.52389  0    269.83224  0   390 389 387    0.18290
 O       1.23565  0    121.25330  0    262.58399  0   391 390 389   -0.31730
 H       1.10942  1    115.94708  1     81.66679  1   391 390 389    0.10730
 C       1.53120  1    114.10114  1    146.28866  1   390 389 387   -0.13010
 C       1.48700  1    113.51317  1    304.24661  1   394 390 389   -0.09360
 C       1.40044  1    121.30831  1    308.27783  1   395 394 390   -0.12850
 C       1.39505  1    120.53578  1    180.51411  1   396 395 394   -0.10360
 C       1.39609  1    119.80936  1      0.62232  1   397 396 395   -0.11860
 C       1.39346  1    120.00771  1      0.00000  1   398 397 396   -0.15240
 C       1.39422  1    120.20124  1    359.55570  1   399 398 397   -0.14860
 H       1.09954  1    119.83067  1    180.99046  1   400 399 398    0.11720
 H       1.09977  1    120.05903  1    180.79122  1   399 398 397    0.11560
 H       1.10061  1    119.46869  1    181.03512  1   398 397 396    0.14200
 H       1.11126  1    120.33958  1    181.79735  1   397 396 395    0.20300
 H       1.10103  1    120.14889  1      1.44648  1   396 395 394    0.13910
 H       1.12364  1    109.09958  1     68.08345  1   394 390 389    0.09910
 H       1.12389  1    107.09368  1    183.68367  1   394 390 389    0.09390
 H       1.13507  1    107.51192  1     25.56474  1   390 389 387    0.13750
 H       0.99661  1    121.60453  1    346.36259  1   389 387 386    0.23490
 C       1.53860  1    112.55158  1    312.74061  1   386 385   3   -0.07630
 C       1.47354  1    108.22673  1    186.72536  1   410 386 385   -0.15700
 N       1.39855  1    123.98417  1     93.54429  1   411 410 386   -0.16160
 C       1.39235  1    106.41192  1    190.65986  1   412 411 410   -0.08260
 N       1.35558  1    111.76021  1    358.12472  1   413 412 411   -0.15120
 C       1.38452  1    105.73990  1      0.13508  1   414 413 412   -0.17540
 H       1.08855  1    121.89679  1    181.42841  1   415 414 413    0.15750
 H       1.09338  1    122.88122  1    181.14693  1   413 412 411    0.18460
 H       1.00020  1    124.37524  1    356.27537  1   412 411 410    0.29950
 H       1.12832  1    108.38001  1    306.88713  1   410 386 385    0.14670
 H       1.12027  1    110.77503  1     65.88765  1   410 386 385    0.07620
 H       1.13416  1    106.28229  1    194.95878  1   386 385   3    0.16590
 H       0.99888  1     70.97344  1    197.36942  1   385   3   2    0.14050
 H       0.99784  1    122.52597  1     94.95167  1   385   3   2    0.13860
 O       3.37296  0    100.11538  0    322.17998  0     3   2   1   -0.43100
 H       0.96522  1     64.97117  1    303.63234  1   424   3   2    0.22040
 H       0.96340  1    167.65964  1    298.97622  1   424   3   2    0.20710

