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 H       1.12298  1    109.80905  1    339.05222  1   223 219 218    0.08460
 H       1.12220  1    110.07231  1     96.67165  1   223 219 218    0.09510
 H       1.13390  1    106.45989  1    207.09351  1   219 218   3    0.13910
 H       1.00151  1    111.65399  1     57.57275  1   218   3   2    0.14900
 H       1.00164  1     89.99750  1    307.66158  1   218   3   2    0.13110
 N       9.32589  0    148.49850  0    217.13966  0     3   2   1   -0.32400
 C       1.47774  0     57.95963  0    104.42399  0   240   3   2   -0.11470
 C       1.51432  0    111.43394  0     71.58897  0   241 240   3    0.21700
 O       1.23796  0    120.10755  0    131.27173  0   242 241 240   -0.31860
 H       1.10987  1    117.36988  1    309.75495  1   242 241 240    0.10260
 C       1.54676  1    114.47622  1    308.45176  1   241 240   3   -0.13340
 C       1.51431  1    110.31017  1    180.90638  1   245 241 240   -0.22090
 H       1.11824  1    110.79365  1     61.19588  1   246 245 241    0.10940
 H       1.11811  1    110.12801  1    181.41380  1   246 245 241    0.08070
 H       1.11814  1    110.75601  1    300.91145  1   246 245 241    0.07620
 C       1.51453  1    110.45805  1    302.44591  1   245 241 240   -0.22330
 H       1.11725  1    111.37491  1     68.64933  1   250 245 241    0.05040
 H       1.11819  1    109.92760  1    188.03386  1   250 245 241    0.08690
 H       1.11725  1    110.56587  1    307.55009  1   250 245 241    0.09310
 H       1.12891  1    108.35387  1     61.59170  1   245 241 240    0.10250
 H       1.13303  1    106.66433  1    189.32499  1   241 240   3    0.13770
 H       1.00193  1    121.14917  1     11.22671  1   240   3   2    0.14160
 H       1.00410  1     51.21335  1    281.93682  1   240   3   2    0.13830
 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   -0.10130
 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   -0.33260
 H       1.11285  1    116.47389  1     28.77704  1   260 259 258    0.10000
 C       1.53324  1    114.30009  1    323.33021  1   259 258   3   -0.19810
 C       1.52296  1    111.61178  1    279.89177  1   263 259 258   -0.10860
 C       1.51478  1    111.21729  1    153.74441  1   264 263 259   -0.21900
 H       1.11650  1    110.64557  1     66.21290  1   265 264 263    0.06660
 H       1.12198  1    109.45799  1    186.64644  1   265 264 263    0.12430
 H       1.11778  1    110.53519  1    305.77204  1   265 264 263    0.06640
 C       1.51597  1    110.91292  1    276.51236  1   264 263 259   -0.22400
 H       1.11653  1    110.68276  1     67.50174  1   269 264 263    0.05640
 H       1.11774  1    110.04832  1    187.79993  1   269 264 263    0.10210
 H       1.11876  1    110.90176  1    307.17794  1   269 264 263    0.08670
 H       1.12784  1    108.79382  1     36.02366  1   264 263 259    0.08770
 H       1.12389  1    109.69506  1     41.79579  1   263 259 258    0.09350
 H       1.12123  1    109.19424  1    158.95094  1   263 259 258    0.10420
 H       1.13624  1    106.51897  1    204.44132  1   259 258   3    0.12340
 H       1.00349  1     99.88446  1    292.39324  1   258   3   2    0.16070
 H       1.00424  1     31.57956  1    185.29628  1   258   3   2    0.14810
 N       8.36458  0     47.62805  0    220.21231  0     3   2   1   -0.33380
 C       1.47835  0     61.24542  0     67.22159  0   279   3   2   -0.03760
 C       1.51781  0    114.00427  0    109.21645  0   280 279   3    0.28410
 O       1.24606  0    120.23596  0    130.28049  0   281 280 279   -0.43020
 N       1.33720  0    121.52500  0    307.87372  0   281 280 279   -0.29030
 C       1.46123  0    119.81866  0    181.42204  0   283 281 280   -0.04650
 C       1.52311  0    110.76539  0    298.61277  0   284 283 281    0.18620
 O       1.22828  0    119.95573  0    154.36018  0   285 284 283   -0.29250
 H       1.11086  1    117.73314  1    334.36248  1   285 284 283    0.08950
 C       1.54038  1    107.62044  1    177.05285  1   284 283 281   -0.15080
 C       1.52338  1    106.41595  1    358.56798  1   288 284 283   -0.17220
 C       1.53774  1    106.73375  1      2.77535  1   289 288 284   -0.02110
 H       1.12604  1    109.04659  1    116.51006  1   290 289 288    0.05560
 H       1.12440  1    110.48903  1    236.16664  1   290 289 288    0.11590
 H       1.11706  1    111.21018  1    123.31990  1   289 288 284    0.07640
 H       1.12058  1    110.62648  1    243.80553  1   289 288 284    0.11990
 H       1.11832  1    110.88116  1    119.80463  1   288 284 283    0.07840
 H       1.12100  1    109.32346  1    239.21705  1   288 284 283    0.12670
 H       1.13596  1    108.43273  1     57.96026  1   284 283 281    0.17080
 C       1.53492  1    113.90257  1    341.08280  1   280 279   3   -0.10610
 C       1.46952  1    112.87710  1    318.40247  1   298 280 279   -0.13240
 C       1.39482  1    125.87057  1    116.98676  1   299 298 280   -0.08290
 N       1.40108  1    110.42503  1    181.50438  1   300 299 298   -0.21100
 C       1.39988  1    107.99707  1    356.47169  1   301 300 299   -0.00410
 C       1.44808  1    108.18922  1      3.38548  1   302 301 300   -0.06040
 C       1.39427  1    119.30245  1    177.58656  1   303 302 301   -0.05930
 C       1.38887  1    118.97922  1      0.06087  1   304 303 302   -0.17190
 C       1.40442  1    121.36051  1    359.85742  1   305 304 303   -0.12380
 C       1.38761  1    121.56013  1    359.81304  1   306 305 304   -0.16110
 H       1.09713  1    121.17378  1    180.18816  1   307 306 305    0.11990
 H       1.09967  1    119.07983  1    179.88283  1   306 305 304    0.11440
 H       1.09942  1    119.56663  1    179.81717  1   305 304 303    0.12310
 H       1.10021  1    120.17087  1    179.90892  1   304 303 302    0.14440
 H       0.98537  1    123.98598  1    197.62667  1   301 300 299    0.24040
 H       1.09745  1    129.37876  1      1.89293  1   300 299 298    0.19130
 H       1.12488  1    110.36309  1     81.97845  1   298 280 279    0.11610
 H       1.12581  1    107.40791  1    197.85067  1   298 280 279    0.11700
 H       1.13661  1    104.27916  1    223.59055  1   280 279   3    0.12830
 H       1.00117  1     50.60453  1    231.60469  1   279   3   2    0.14610
 H       1.00015  1    137.22626  1    156.57729  1   279   3   2    0.13750
 N      11.52547  0     55.38112  0    264.52042  0     3   2   1   -0.34700
 C       1.46046  0     93.60450  0    112.55228  0   319   3   2   -0.09380
 C       1.52047  0    110.87988  0    175.78694  0   320 319   3    0.20580
 O       1.23737  0    120.84914  0    314.34911  0   321 320 319   -0.30400
 H       1.10831  1    116.34074  1    135.34905  1   321 320 319    0.08820
 C       1.54761  1    115.42256  1     49.92447  1   320 319   3   -0.13970
 C       1.52462  1    110.02373  1    295.66186  1   324 320 319   -0.16220
 C       1.50742  1    113.07192  1    167.36734  1   325 324 320   -0.22730
 H       1.11671  1    111.09007  1     71.89749  1   326 325 324    0.06500
 H       1.12241  1    110.06607  1    191.82495  1   326 325 324    0.12230
 H       1.11748  1    110.78807  1    311.00772  1   326 325 324    0.06850
 H       1.12366  1    109.14331  1    289.61971  1   325 324 320    0.08210
 H       1.12425  1    110.20494  1     47.04357  1   325 324 320    0.08870
 C       1.51356  1    110.03639  1    173.31677  1   324 320 319   -0.21750
 H       1.11747  1    110.79548  1     57.37023  1   332 324 320    0.07280
 H       1.11833  1    110.00037  1    177.23150  1   332 324 320    0.08890
 H       1.11749  1    110.74658  1    296.62120  1   332 324 320    0.06540
 H       1.12667  1    108.38413  1     54.39375  1   324 320 319    0.10990
 H       1.13382  1    105.98830  1    291.87552  1   320 319   3    0.10240
 H       1.00352  1     19.09286  1    320.02829  1   319   3   2    0.16900
 H       1.00334  1    108.26519  1    225.01047  1   319   3   2    0.16070
 N      13.81645  0    117.46542  0    317.45664  0     3   2   1   -0.35000
 C       1.46975  0     69.59418  0    265.79365  0   340   3   2   -0.04950
 C       1.51854  0    109.42956  0     87.30937  0   341 340   3    0.27580
 O       1.22712  0    121.44309  0    110.88918  0   342 341 340   -0.42020
 N       1.33274  0    115.72040  0    292.58365  0   342 341 340   -0.36130
 C       1.46052  0    118.46101  0    181.64764  0   344 342 341   -0.02860
 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    115.53128  1    318.72132  1   346 345 344    0.12140
 C       1.53859  1    112.13073  1    158.31384  1   345 344 342   -0.16790
 C       1.52234  1    111.31190  1    199.97427  1   349 345 344   -0.11510
 C       1.51483  1    111.12258  1     80.67246  1   350 349 345   -0.20930
 H       1.11702  1    110.65724  1     61.98417  1   351 350 349    0.07940
 H       1.11652  1    110.22298  1    181.91644  1   351 350 349    0.07200
 H       1.11703  1    110.65357  1    301.83918  1   351 350 349    0.07580
 C       1.51502  1    110.34520  1    202.90875  1   350 349 345   -0.21040
 H       1.11685  1    110.77453  1     61.29893  1   355 350 349    0.06420
 H       1.11741  1    109.91996  1    180.95758  1   355 350 349    0.06790
 H       1.11717  1    110.57760  1    300.89248  1   355 350 349    0.08440
 H       1.12885  1    108.43784  1    321.62240  1   350 349 345    0.09970
 H       1.12255  1    110.14781  1    321.36271  1   349 345 344    0.09930
 H       1.12214  1    109.02422  1     78.66196  1   349 345 344    0.08590
 H       1.13441  1    107.18326  1     38.92185  1   345 344 342    0.11910
 H       1.00366  1    122.32118  1     12.29316  1   344 342 341    0.29140
 C       1.52240  1    114.46847  1    321.46862  1   341 340   3   -0.21670
 H       1.11976  1    111.31979  1     52.89850  1   364 341 340    0.10710
 H       1.11649  1    109.51462  1    173.71223  1   364 341 340    0.07440
 H       1.11689  1    110.01903  1    293.13061  1   364 341 340    0.08450
 H       1.13275  1    106.16936  1    201.96793  1   341 340   3    0.10200
 H       1.00650  1     42.50025  1    105.97386  1   340   3   2    0.17930
 H       1.00282  1    109.70308  1     11.31472  1   340   3   2    0.15300
 N      10.80169  0    132.34688  0    329.70543  0     3   2   1   -0.34790
 C       1.44351  0     37.18078  0     10.67837  0   371   3   2   -0.06080
 C       1.52058  0    113.71970  0     78.47512  0   372 371   3    0.26910
 O       1.22780  0    120.16143  0    128.71132  0   373 372 371   -0.38880
 N       1.33334  0    119.06894  0    308.22080  0   373 372 371   -0.37020
 C       1.46344  0    122.73833  0    184.27316  0   375 373 372   -0.03470
 C       1.51251  0    109.68839  0    272.90895  0   376 375 373    0.18750
 O       1.22625  0    122.47880  0    241.57476  0   377 376 375   -0.31300
 H       1.11343  1    115.18004  1     61.67280  1   377 376 375    0.10150
 C       1.53685  1    112.60134  1    149.08076  1   376 375 373   -0.12600
 C       1.48664  1    112.60455  1    308.42370  1   380 376 375   -0.09200
 C       1.39983  1    120.45902  1    285.98745  1   381 380 376   -0.12010
 C       1.39413  1    120.39809  1    179.20358  1   382 381 380   -0.13190
 C       1.39560  1    119.92615  1      0.74092  1   383 382 381   -0.12260
 C       1.39491  1    120.06559  1    359.43106  1   384 383 382   -0.13600
 C       1.39457  1    119.94892  1    359.83010  1   385 384 383   -0.13620
 H       1.10110  1    119.82283  1    181.79780  1   386 385 384    0.12260
 H       1.10328  1    120.12973  1    180.87735  1   385 384 383    0.14260
 H       1.10079  1    119.76181  1    180.37859  1   384 383 382    0.13380
 H       1.10642  1    119.93104  1    181.75173  1   383 382 381    0.16960
 H       1.10028  1    119.85030  1      0.41607  1   382 381 380    0.13180
 H       1.12324  1    109.08459  1     71.42276  1   380 376 375    0.10120
 H       1.12254  1    107.24186  1    187.22594  1   380 376 375    0.09420
 H       1.13534  1    107.65964  1     29.21462  1   376 375 373    0.13490
 H       0.99682  1    121.47855  1    355.51979  1   375 373 372    0.24710
 C       1.54437  1    111.43547  1    314.73590  1   372 371   3   -0.09230
 C       1.47298  1    111.07392  1    193.71270  1   396 372 371   -0.10530
 N       1.39710  1    123.89502  1     69.85159  1   397 396 372   -0.17520
 C       1.39313  1    106.72909  1    182.47781  1   398 397 396   -0.10860
 N       1.35480  1    111.43402  1    357.89237  1   399 398 397   -0.19330
 C       1.38952  1    105.93897  1      1.13179  1   400 399 398   -0.19290
 H       1.09062  1    122.09971  1    180.53803  1   401 400 399    0.17340
 H       1.09507  1    122.92449  1    178.11188  1   399 398 397    0.19650
 H       0.99864  1    124.68965  1    350.91506  1   398 397 396    0.29710
 H       1.12712  1    108.58849  1    314.75303  1   396 372 371    0.12150
 H       1.12209  1    110.89901  1     72.79078  1   396 372 371    0.09390
 H       1.14215  1    107.04371  1    196.67647  1   372 371   3    0.19710
 H       0.99943  1     77.05227  1    175.51325  1   371   3   2    0.15520
 H       0.99821  1    135.93285  1     69.57636  1   371   3   2    0.15150
 H       4.40209  1    104.43458  1    339.51503  1     3   2   1    0.20910
 O       3.61947  0     99.16701  0    345.70505  0     3   2   1   -0.43250
 H       0.96421  1    103.67195  1    318.17408  1   411 410   3    0.21700

