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 H       1.12352  1    109.77745  1    339.28872  1   223 219 218    0.08470
 H       1.12308  1    109.80356  1     96.57584  1   223 219 218    0.09490
 H       1.13439  1    106.30025  1    206.84111  1   219 218   3    0.13850
 H       1.00148  1    111.70766  1     57.64257  1   218   3   2    0.14920
 H       1.00157  1     90.01519  1    307.70453  1   218   3   2    0.13120
 N       9.32589  0    148.49850  0    217.13966  0     3   2   1   -0.32390
 C       1.47774  0     57.95963  0    104.42399  0   240   3   2   -0.11410
 C       1.51432  0    111.43394  0     71.58897  0   241 240   3    0.21660
 O       1.23796  0    120.10755  0    131.27173  0   242 241 240   -0.31800
 H       1.10988  1    117.35157  1    309.43439  1   242 241 240    0.10260
 C       1.54679  1    114.47882  1    308.47562  1   241 240   3   -0.13360
 C       1.51432  1    110.36544  1    180.95488  1   245 241 240   -0.22090
 H       1.11822  1    110.81046  1     61.75713  1   246 245 241    0.10950
 H       1.11801  1    110.09638  1    181.97076  1   246 245 241    0.08010
 H       1.11809  1    110.77834  1    301.47452  1   246 245 241    0.07680
 C       1.51473  1    110.45866  1    302.51646  1   245 241 240   -0.22320
 H       1.11718  1    111.38783  1     68.80104  1   250 245 241    0.05050
 H       1.11827  1    109.93893  1    188.16911  1   250 245 241    0.08660
 H       1.11723  1    110.56601  1    307.69959  1   250 245 241    0.09310
 H       1.12875  1    108.35804  1     61.64646  1   245 241 240    0.10230
 H       1.13301  1    106.68976  1    189.32632  1   241 240   3    0.13770
 H       1.00192  1    121.20942  1     11.22650  1   240   3   2    0.14150
 H       1.00405  1     51.21949  1    281.98798  1   240   3   2    0.13820
 N      10.70920  0    161.02234  0    300.98350  0     3   2   1   -0.33130
 C       1.47447  0     83.51123  0     40.16297  0   258   3   2   -0.10110
 C       1.51972  0    110.88294  0     91.41287  0   259 258   3    0.19650
 O       1.23337  0    122.18349  0    206.71515  0   260 259 258   -0.33230
 H       1.11286  1    116.44955  1     29.09147  1   260 259 258    0.09990
 C       1.53279  1    114.28426  1    323.30473  1   259 258   3   -0.19800
 C       1.52309  1    111.61466  1    279.92268  1   263 259 258   -0.10870
 C       1.51475  1    111.22289  1    153.83833  1   264 263 259   -0.21880
 H       1.11648  1    110.64062  1     66.23915  1   265 264 263    0.06650
 H       1.12194  1    109.44331  1    186.65418  1   265 264 263    0.12390
 H       1.11775  1    110.53140  1    305.77974  1   265 264 263    0.06640
 C       1.51580  1    110.91038  1    276.60963  1   264 263 259   -0.22370
 H       1.11652  1    110.66516  1     67.48597  1   269 264 263    0.05630
 H       1.11774  1    110.04041  1    187.75306  1   269 264 263    0.10180
 H       1.11874  1    110.88903  1    307.14104  1   269 264 263    0.08680
 H       1.12783  1    108.81981  1     36.09270  1   264 263 259    0.08760
 H       1.12387  1    109.68865  1     41.87310  1   263 259 258    0.09370
 H       1.12136  1    109.15493  1    158.99660  1   263 259 258    0.10430
 H       1.13621  1    106.55612  1    204.32092  1   259 258   3    0.12320
 H       1.00349  1     99.84983  1    292.40233  1   258   3   2    0.16060
 H       1.00427  1     31.58554  1    185.24801  1   258   3   2    0.14800
 N       8.36458  0     47.62805  0    220.21231  0     3   2   1   -0.33400
 C       1.47835  0     61.24542  0     67.22159  0   279   3   2   -0.03720
 C       1.51781  0    114.00427  0    109.21645  0   280 279   3    0.28530
 O       1.24606  0    120.23596  0    130.28049  0   281 280 279   -0.43100
 N       1.33720  0    121.52500  0    307.87372  0   281 280 279   -0.28960
 C       1.46123  0    119.81866  0    181.42204  0   283 281 280   -0.04660
 C       1.52311  0    110.76539  0    298.61277  0   284 283 281    0.18650
 O       1.22828  0    119.95573  0    154.36018  0   285 284 283   -0.29250
 H       1.11086  1    117.73758  1    334.56188  1   285 284 283    0.08980
 C       1.54109  1    107.58278  1    176.83200  1   284 283 281   -0.15190
 C       1.52346  1    106.43411  1    358.90043  1   288 284 283   -0.16840
 C       1.53716  1    106.75562  1      2.40674  1   289 288 284   -0.02180
 H       1.12616  1    108.99862  1    116.63872  1   290 289 288    0.05560
 H       1.12419  1    110.50999  1    236.50276  1   290 289 288    0.11710
 H       1.11739  1    111.11845  1    122.84168  1   289 288 284    0.07540
 H       1.12026  1    110.70700  1    243.23214  1   289 288 284    0.11790
 H       1.11795  1    110.97500  1    120.19709  1   288 284 283    0.07880
 H       1.12112  1    109.24798  1    239.50216  1   288 284 283    0.12540
 H       1.13588  1    108.44968  1     58.02085  1   284 283 281    0.17050
 C       1.53599  1    114.35980  1    341.43355  1   280 279   3   -0.10810
 C       1.46935  1    113.20687  1    318.14170  1   298 280 279   -0.13290
 C       1.39506  1    125.83101  1    115.63624  1   299 298 280   -0.08060
 N       1.40078  1    110.39516  1    181.26593  1   300 299 298   -0.21120
 C       1.40105  1    107.99949  1    356.46862  1   301 300 299   -0.00390
 C       1.44812  1    108.17483  1      3.70862  1   302 301 300   -0.06080
 C       1.39428  1    119.29339  1    177.67355  1   303 302 301   -0.06000
 C       1.38863  1    118.97460  1      0.11401  1   304 303 302   -0.17140
 C       1.40474  1    121.35738  1    359.97502  1   305 304 303   -0.12380
 C       1.38753  1    121.55417  1      0.33508  1   306 305 304   -0.16080
 H       1.09706  1    121.18367  1    179.90509  1   307 306 305    0.12010
 H       1.09953  1    119.05568  1    179.82537  1   306 305 304    0.11460
 H       1.09935  1    119.57891  1    179.38944  1   305 304 303    0.12350
 H       1.10031  1    120.09105  1    179.91354  1   304 303 302    0.14430
 H       0.98585  1    123.90430  1    197.73612  1   301 300 299    0.24070
 H       1.09652  1    129.45506  1      1.28531  1   300 299 298    0.18810
 H       1.12491  1    110.45179  1     81.85032  1   298 280 279    0.11800
 H       1.12539  1    107.31241  1    197.57708  1   298 280 279    0.11660
 H       1.13510  1    104.67140  1    224.45645  1   280 279   3    0.12790
 H       1.00119  1     50.60630  1    231.31184  1   279   3   2    0.14610
 H       1.00018  1    137.55739  1    156.51045  1   279   3   2    0.13810
 N      11.52547  0     55.38112  0    264.52042  0     3   2   1   -0.34690
 C       1.46046  0     93.60450  0    112.55228  0   319   3   2   -0.09410
 C       1.52047  0    110.87988  0    175.78694  0   320 319   3    0.20600
 O       1.23737  0    120.84914  0    314.34911  0   321 320 319   -0.30400
 H       1.10824  1    116.33399  1    134.90654  1   321 320 319    0.08830
 C       1.54724  1    115.38241  1     49.73060  1   320 319   3   -0.13940
 C       1.52502  1    109.91307  1    295.67664  1   324 320 319   -0.16290
 C       1.50724  1    113.16045  1    167.30939  1   325 324 320   -0.22620
 H       1.11663  1    111.07124  1     71.87571  1   326 325 324    0.06490
 H       1.12251  1    109.96864  1    191.73727  1   326 325 324    0.12040
 H       1.11745  1    110.78414  1    311.01308  1   326 325 324    0.06830
 H       1.12365  1    109.13131  1    289.56984  1   325 324 320    0.08270
 H       1.12426  1    110.25291  1     46.95400  1   325 324 320    0.08940
 C       1.51326  1    110.08779  1    173.37698  1   324 320 319   -0.21750
 H       1.11740  1    110.82380  1     56.91353  1   332 324 320    0.07310
 H       1.11841  1    109.93743  1    176.70943  1   332 324 320    0.08850
 H       1.11754  1    110.69551  1    296.05699  1   332 324 320    0.06570
 H       1.12668  1    108.38161  1     54.41657  1   324 320 319    0.10970
 H       1.13412  1    105.92832  1    291.74094  1   320 319   3    0.10230
 H       1.00360  1     19.21298  1    320.86540  1   319   3   2    0.16900
 H       1.00327  1    107.95392  1    224.95192  1   319   3   2    0.16070
 N      13.81645  0    117.46542  0    317.45664  0     3   2   1   -0.35300
 C       1.46975  0     69.59418  0    265.79365  0   340   3   2   -0.04720
 C       1.51854  0    109.42956  0     87.30937  0   341 340   3    0.27500
 O       1.22712  0    121.44309  0    110.88918  0   342 341 340   -0.42050
 N       1.33274  0    115.72040  0    292.58365  0   342 341 340   -0.36120
 C       1.46052  0    118.46101  0    181.64764  0   344 342 341   -0.02880
 C       1.52566  0    113.35886  0    280.16963  0   345 344 342    0.18180
 O       1.22406  0    121.51706  0    139.04305  0   346 345 344   -0.31640
 H       1.11451  1    115.54383  1    318.90953  1   346 345 344    0.12130
 C       1.53859  1    112.08663  1    158.20682  1   345 344 342   -0.16770
 C       1.52267  1    111.32656  1    200.64369  1   349 345 344   -0.11480
 C       1.51497  1    111.07539  1     80.72260  1   350 349 345   -0.20890
 H       1.11700  1    110.65708  1     61.96226  1   351 350 349    0.07910
 H       1.11651  1    110.23718  1    181.88829  1   351 350 349    0.07190
 H       1.11707  1    110.65808  1    301.81650  1   351 350 349    0.07550
 C       1.51523  1    110.26680  1    202.95078  1   350 349 345   -0.21070
 H       1.11686  1    110.76879  1     62.70541  1   355 350 349    0.06430
 H       1.11736  1    109.98077  1    182.48402  1   355 350 349    0.06840
 H       1.11725  1    110.56470  1    302.32327  1   355 350 349    0.08450
 H       1.12858  1    108.47677  1    321.64190  1   350 349 345    0.09960
 H       1.12241  1    110.20140  1    321.99209  1   349 345 344    0.09920
 H       1.12218  1    108.99292  1     79.27976  1   349 345 344    0.08600
 H       1.13457  1    107.17670  1     38.81782  1   345 344 342    0.11890
 H       1.00374  1    122.30677  1     12.29955  1   344 342 341    0.29170
 C       1.52228  1    114.45320  1    321.50105  1   341 340   3   -0.21700
 H       1.11976  1    111.32254  1     52.89223  1   364 341 340    0.10740
 H       1.11653  1    109.49969  1    173.70834  1   364 341 340    0.07420
 H       1.11687  1    110.02881  1    293.13392  1   364 341 340    0.08460
 H       1.13273  1    106.18346  1    201.98908  1   341 340   3    0.10160
 H       1.00634  1     42.35599  1    105.13588  1   340   3   2    0.18060
 H       1.00263  1    110.32389  1     11.09754  1   340   3   2    0.15350
 N      10.80169  0    132.34688  0    329.70543  0     3   2   1   -0.34770
 C       1.44351  0     37.18078  0     10.67837  0   371   3   2   -0.06090
 C       1.52058  0    113.71970  0     78.47512  0   372 371   3    0.26890
 O       1.22780  0    120.16143  0    128.71132  0   373 372 371   -0.38870
 N       1.33334  0    119.06894  0    308.22080  0   373 372 371   -0.37010
 C       1.46344  0    122.73833  0    184.27316  0   375 373 372   -0.03450
 C       1.51251  0    109.68839  0    272.90895  0   376 375 373    0.18740
 O       1.22625  0    122.47880  0    241.57476  0   377 376 375   -0.31320
 H       1.11341  1    115.18574  1     61.75738  1   377 376 375    0.10140
 C       1.53707  1    112.68159  1    149.12377  1   376 375 373   -0.12590
 C       1.48663  1    112.63630  1    308.36608  1   380 376 375   -0.09220
 C       1.39994  1    120.53733  1    286.91533  1   381 380 376   -0.11980
 C       1.39438  1    120.40515  1    179.17108  1   382 381 380   -0.13110
 C       1.39559  1    119.91643  1      0.82987  1   383 382 381   -0.12330
 C       1.39468  1    120.06295  1    359.45559  1   384 383 382   -0.13600
 C       1.39428  1    119.93779  1    359.83791  1   385 384 383   -0.13670
 H       1.10098  1    119.82867  1    181.76367  1   386 385 384    0.12200
 H       1.10316  1    120.13872  1    180.77922  1   385 384 383    0.14150
 H       1.10066  1    119.76268  1    180.38391  1   384 383 382    0.13300
 H       1.10668  1    119.92155  1    181.85887  1   383 382 381    0.17160
 H       1.10032  1    119.85870  1      0.35136  1   382 381 380    0.13230
 H       1.12321  1    109.05924  1     71.35585  1   380 376 375    0.10110
 H       1.12250  1    107.25522  1    187.17817  1   380 376 375    0.09430
 H       1.13522  1    107.69880  1     29.20418  1   376 375 373    0.13500
 H       0.99687  1    121.46216  1    355.50279  1   375 373 372    0.24710
 C       1.54334  1    111.63318  1    314.79852  1   372 371   3   -0.09220
 C       1.47246  1    111.11669  1    193.58190  1   396 372 371   -0.10590
 N       1.39762  1    123.81912  1     69.89840  1   397 396 372   -0.17590
 C       1.39294  1    106.75068  1    182.49028  1   398 397 396   -0.10750
 N       1.35451  1    111.44143  1    358.11012  1   399 398 397   -0.19430
 C       1.38963  1    105.94299  1      0.88688  1   400 399 398   -0.19290
 H       1.09083  1    122.03596  1    180.14652  1   401 400 399    0.17410
 H       1.09521  1    122.93430  1    178.41614  1   399 398 397    0.19690
 H       0.99869  1    124.67975  1    350.90108  1   398 397 396    0.29730
 H       1.12716  1    108.57825  1    314.55686  1   396 372 371    0.12100
 H       1.12219  1    110.90162  1     72.57701  1   396 372 371    0.09390
 H       1.14225  1    107.04721  1    196.69086  1   372 371   3    0.19720
 H       0.99944  1     77.07421  1    175.40967  1   371   3   2    0.15510
 H       0.99822  1    135.94937  1     69.44096  1   371   3   2    0.15160
 H       4.42374  1    103.65853  1    339.51920  1     3   2   1    0.20890
 O       3.61947  0     99.16701  0    345.70505  0     3   2   1   -0.43260
 H       0.96436  1    103.81102  1    319.56562  1   411 410   3    0.21720

