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 H       1.12305  1    109.95920  1    340.32910  1   223 219 218    0.08580
 H       1.12303  1    109.84862  1     97.72547  1   223 219 218    0.09340
 H       1.13472  1    106.04303  1    206.68266  1   219 218   3    0.14110
 H       1.00127  1    111.02846  1     55.48004  1   218   3   2    0.15050
 H       1.00137  1     90.42551  1    305.29625  1   218   3   2    0.13230
 N       9.32589  0    148.49850  0    217.13966  0     3   2   1   -0.32210
 C       1.47774  0     57.95963  0    104.42399  0   240   3   2   -0.11430
 C       1.51432  0    111.43394  0     71.58897  0   241 240   3    0.21440
 O       1.23796  0    120.10755  0    131.27173  0   242 241 240   -0.31170
 H       1.10982  1    117.35407  1    309.40664  1   242 241 240    0.10240
 C       1.54644  1    114.43206  1    308.28684  1   241 240   3   -0.13190
 C       1.51434  1    110.50010  1    180.95991  1   245 241 240   -0.22130
 H       1.11819  1    110.81600  1     64.04224  1   246 245 241    0.11180
 H       1.11854  1    110.00644  1    184.34683  1   246 245 241    0.07500
 H       1.11809  1    110.88099  1    303.75171  1   246 245 241    0.08110
 C       1.51492  1    110.37179  1    302.54254  1   245 241 240   -0.22340
 H       1.11725  1    111.37252  1     69.65492  1   250 245 241    0.04990
 H       1.11803  1    110.01812  1    189.14347  1   250 245 241    0.08320
 H       1.11738  1    110.53926  1    308.63523  1   250 245 241    0.09470
 H       1.12908  1    108.34127  1     61.65861  1   245 241 240    0.09680
 H       1.13331  1    106.68016  1    189.23583  1   241 240   3    0.13970
 H       1.00185  1    121.57749  1     11.41441  1   240   3   2    0.14080
 H       1.00388  1     51.24499  1    282.38605  1   240   3   2    0.13630
 N      10.70920  0    161.02234  0    300.98350  0     3   2   1   -0.33170
 C       1.47447  0     83.51123  0     40.16297  0   258   3   2   -0.10000
 C       1.51972  0    110.88294  0     91.41287  0   259 258   3    0.19490
 O       1.23337  0    122.18349  0    206.71515  0   260 259 258   -0.32800
 H       1.11279  1    116.42636  1     29.20933  1   260 259 258    0.09890
 C       1.53234  1    114.35612  1    323.32162  1   259 258   3   -0.20130
 C       1.52306  1    111.77153  1    280.62237  1   263 259 258   -0.10510
 C       1.51482  1    111.06293  1    154.52592  1   264 263 259   -0.21580
 H       1.11676  1    110.61829  1     63.97096  1   265 264 263    0.06950
 H       1.12112  1    109.50221  1    184.38407  1   265 264 263    0.11750
 H       1.11770  1    110.48333  1    303.63132  1   265 264 263    0.06390
 C       1.51582  1    110.94994  1    277.08908  1   264 263 259   -0.22340
 H       1.11646  1    110.67160  1     66.26826  1   269 264 263    0.05580
 H       1.11778  1    110.01186  1    186.44212  1   269 264 263    0.10120
 H       1.11883  1    110.82657  1    305.89450  1   269 264 263    0.08860
 H       1.12769  1    108.92088  1     36.61574  1   264 263 259    0.08460
 H       1.12382  1    109.72659  1     42.68667  1   263 259 258    0.09370
 H       1.12144  1    109.01055  1    159.83984  1   263 259 258    0.10860
 H       1.13629  1    106.57590  1    204.34764  1   259 258   3    0.12320
 H       1.00343  1    100.40058  1    292.46694  1   258   3   2    0.15930
 H       1.00430  1     31.10118  1    186.20758  1   258   3   2    0.14740
 N       8.36458  0     47.62805  0    220.21231  0     3   2   1   -0.33230
 C       1.47835  0     61.24542  0     67.22159  0   279   3   2   -0.04020
 C       1.51781  0    114.00427  0    109.21645  0   280 279   3    0.27750
 O       1.24606  0    120.23596  0    130.28049  0   281 280 279   -0.40810
 N       1.33720  0    121.52500  0    307.87372  0   281 280 279   -0.31150
 C       1.46123  0    119.81866  0    181.42204  0   283 281 280   -0.05200
 C       1.52311  0    110.76539  0    298.61277  0   284 283 281    0.18560
 O       1.22828  0    119.95573  0    154.36018  0   285 284 283   -0.28080
 H       1.11047  1    117.55726  1    334.66739  1   285 284 283    0.09650
 C       1.54085  1    107.62509  1    176.65937  1   284 283 281   -0.15790
 C       1.52360  1    106.41674  1      1.34446  1   288 284 283   -0.17340
 C       1.53821  1    106.72087  1      1.35471  1   289 288 284   -0.02600
 H       1.12616  1    108.79300  1    115.97820  1   290 289 288    0.06710
 H       1.12449  1    110.82713  1    235.40960  1   290 289 288    0.10550
 H       1.11783  1    110.98678  1    121.47081  1   289 288 284    0.08660
 H       1.11963  1    110.94751  1    241.46653  1   289 288 284    0.10870
 H       1.11836  1    110.82072  1    122.48297  1   288 284 283    0.09200
 H       1.12127  1    109.61759  1    241.30385  1   288 284 283    0.12080
 H       1.13386  1    108.74815  1     57.15737  1   284 283 281    0.15460
 C       1.53535  1    113.49469  1    341.05318  1   280 279   3   -0.09120
 C       1.47008  1    112.63965  1    312.63015  1   298 280 279   -0.13930
 C       1.39513  1    125.57466  1    118.86796  1   299 298 280   -0.08480
 N       1.39972  1    110.45605  1    181.33260  1   300 299 298   -0.20860
 C       1.40050  1    107.95592  1    356.59193  1   301 300 299   -0.00710
 C       1.44778  1    108.24976  1      3.21699  1   302 301 300   -0.05460
 C       1.39442  1    119.21977  1    178.49724  1   303 302 301   -0.05980
 C       1.38903  1    118.97100  1    359.76887  1   304 303 302   -0.16720
 C       1.40439  1    121.41043  1      0.11025  1   305 304 303   -0.12180
 C       1.38741  1    121.51857  1      0.05367  1   306 305 304   -0.15870
 H       1.09706  1    121.20282  1    179.66626  1   307 306 305    0.11940
 H       1.09965  1    119.09130  1    179.61773  1   306 305 304    0.11480
 H       1.09957  1    119.49057  1    179.53213  1   305 304 303    0.12640
 H       1.10081  1    120.30759  1    178.96963  1   304 303 302    0.14960
 H       0.98562  1    124.00236  1    197.88419  1   301 300 299    0.24060
 H       1.09652  1    129.51224  1      1.09493  1   300 299 298    0.18780
 H       1.12346  1    110.37298  1     75.33781  1   298 280 279    0.08700
 H       1.12531  1    107.50026  1    192.05959  1   298 280 279    0.12460
 H       1.13619  1    104.80362  1    224.17457  1   280 279   3    0.14140
 H       1.00046  1     51.71221  1    227.76148  1   279   3   2    0.14460
 H       0.99972  1    140.74747  1    154.59680  1   279   3   2    0.13880
 N      11.52547  0     55.38112  0    264.52042  0     3   2   1   -0.34150
 C       1.46046  0     93.60450  0    112.55228  0   319   3   2   -0.09390
 C       1.52047  0    110.87988  0    175.78694  0   320 319   3    0.20630
 O       1.23737  0    120.84914  0    314.34911  0   321 320 319   -0.30660
 H       1.10837  1    116.33808  1    134.76922  1   321 320 319    0.09130
 C       1.54683  1    116.67914  1     51.35375  1   320 319   3   -0.14050
 C       1.52233  1    110.60212  1    296.39624  1   324 320 319   -0.16020
 C       1.50763  1    112.31796  1    169.31441  1   325 324 320   -0.22130
 H       1.11700  1    111.20156  1     65.17753  1   326 325 324    0.07530
 H       1.11951  1    110.03978  1    184.83479  1   326 325 324    0.09780
 H       1.11750  1    110.78607  1    304.56637  1   326 325 324    0.06780
 H       1.12369  1    109.33163  1    291.24785  1   325 324 320    0.08820
 H       1.12401  1    110.02820  1     48.80854  1   325 324 320    0.08020
 C       1.51532  1    109.37691  1    174.37408  1   324 320 319   -0.22020
 H       1.11776  1    110.65163  1     56.41692  1   332 324 320    0.07760
 H       1.11699  1    110.24877  1    176.09998  1   332 324 320    0.08830
 H       1.11738  1    110.78598  1    295.54953  1   332 324 320    0.06940
 H       1.12638  1    108.39942  1     55.52666  1   324 320 319    0.10780
 H       1.13327  1    105.95504  1    292.33030  1   320 319   3    0.10770
 H       1.00369  1     18.30636  1    316.79159  1   319   3   2    0.16560
 H       1.00337  1    109.40794  1    225.18542  1   319   3   2    0.15760
 N      13.81645  0    117.46542  0    317.45664  0     3   2   1   -0.34980
 C       1.46975  0     69.59418  0    265.79365  0   340   3   2   -0.04770
 C       1.51854  0    109.42956  0     87.30937  0   341 340   3    0.27060
 O       1.22712  0    121.44309  0    110.88918  0   342 341 340   -0.42320
 N       1.33274  0    115.72040  0    292.58365  0   342 341 340   -0.36010
 C       1.46052  0    118.46101  0    181.64764  0   344 342 341   -0.02570
 C       1.52566  0    113.35886  0    280.16963  0   345 344 342    0.18500
 O       1.22406  0    121.51706  0    139.04305  0   346 345 344   -0.31940
 H       1.11431  1    115.58141  1    318.92988  1   346 345 344    0.12030
 C       1.54016  1    111.00655  1    159.05664  1   345 344 342   -0.17290
 C       1.52127  1    112.45671  1    189.44440  1   349 345 344   -0.10400
 C       1.51452  1    111.22526  1     77.51238  1   350 349 345   -0.20420
 H       1.11701  1    110.63263  1     59.87908  1   351 350 349    0.07580
 H       1.11664  1    110.21236  1    179.69831  1   351 350 349    0.06330
 H       1.11663  1    110.63572  1    299.61777  1   351 350 349    0.07580
 C       1.51555  1    110.04803  1    199.73861  1   350 349 345   -0.21920
 H       1.11714  1    110.75309  1     57.33305  1   355 350 349    0.06870
 H       1.11742  1    109.90672  1    176.92873  1   355 350 349    0.06420
 H       1.11739  1    110.74507  1    297.00190  1   355 350 349    0.09580
 H       1.12807  1    108.83922  1    318.34953  1   350 349 345    0.09270
 H       1.12259  1    109.44553  1    310.59438  1   349 345 344    0.10040
 H       1.12275  1    108.96095  1     67.43984  1   349 345 344    0.09150
 H       1.13294  1    107.68256  1     39.52144  1   345 344 342    0.11470
 H       1.00453  1    122.43450  1     11.29411  1   344 342 341    0.29520
 C       1.52224  1    114.23066  1    321.58749  1   341 340   3   -0.21700
 H       1.11996  1    111.32985  1     52.71011  1   364 341 340    0.11180
 H       1.11645  1    109.47910  1    173.51756  1   364 341 340    0.07190
 H       1.11681  1    110.01001  1    292.95382  1   364 341 340    0.08390
 H       1.13254  1    106.28969  1    202.05747  1   341 340   3    0.09940
 H       1.00667  1     41.19209  1     99.09244  1   340   3   2    0.18270
 H       1.00259  1    114.23845  1      9.73153  1   340   3   2    0.15090
 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   -0.06670
 C       1.52058  0    113.71970  0     78.47512  0   372 371   3    0.27440
 O       1.22780  0    120.16143  0    128.71132  0   373 372 371   -0.38600
 N       1.33334  0    119.06894  0    308.22080  0   373 372 371   -0.37200
 C       1.46344  0    122.73833  0    184.27316  0   375 373 372   -0.03620
 C       1.51251  0    109.68839  0    272.90895  0   376 375 373    0.18830
 O       1.22625  0    122.47880  0    241.57476  0   377 376 375   -0.31580
 H       1.11346  1    115.19960  1     61.76085  1   377 376 375    0.10130
 C       1.53703  1    112.74816  1    149.33957  1   376 375 373   -0.12540
 C       1.48615  1    112.76525  1    307.82587  1   380 376 375   -0.09140
 C       1.39994  1    120.59243  1    289.38655  1   381 380 376   -0.11760
 C       1.39439  1    120.43416  1    179.11666  1   382 381 380   -0.12360
 C       1.39573  1    119.81399  1      0.71516  1   383 382 381   -0.12770
 C       1.39453  1    120.17927  1    359.43242  1   384 383 382   -0.13910
 C       1.39446  1    119.93587  1      0.02559  1   385 384 383   -0.13940
 H       1.10065  1    119.82640  1    181.57407  1   386 385 384    0.12020
 H       1.10281  1    120.25767  1    181.29896  1   385 384 383    0.13630
 H       1.10010  1    119.68426  1    180.67479  1   384 383 382    0.12440
 H       1.10848  1    119.78682  1    182.76374  1   383 382 381    0.18440
 H       1.10043  1    119.90242  1      0.65137  1   382 381 380    0.13570
 H       1.12324  1    109.03281  1     70.87219  1   380 376 375    0.09900
 H       1.12269  1    107.20477  1    186.62477  1   380 376 375    0.09350
 H       1.13539  1    107.68725  1     29.32050  1   376 375 373    0.13850
 H       0.99660  1    121.43113  1    355.05363  1   375 373 372    0.24560
 C       1.54266  1    111.23547  1    314.64552  1   372 371   3   -0.08660
 C       1.47069  1    110.89434  1    190.96988  1   396 372 371   -0.12260
 N       1.39801  1    124.22140  1     70.25445  1   397 396 372   -0.18360
 C       1.39415  1    106.61114  1    183.29112  1   398 397 396   -0.09920
 N       1.35365  1    111.42076  1    358.01597  1   399 398 397   -0.17600
 C       1.38835  1    106.03551  1      1.18734  1   400 399 398   -0.19010
 H       1.09065  1    121.66435  1    179.77840  1   401 400 399    0.17530
 H       1.09576  1    123.26871  1    178.48337  1   399 398 397    0.20200
 H       0.99763  1    124.53958  1    351.21249  1   398 397 396    0.29350
 H       1.12667  1    108.52327  1    312.11179  1   396 372 371    0.11700
 H       1.12235  1    110.89770  1     70.27159  1   396 372 371    0.09070
 H       1.14229  1    107.32501  1    196.84128  1   372 371   3    0.19900
 H       0.99946  1     77.04602  1    175.05530  1   371   3   2    0.15330
 H       0.99832  1    136.02040  1     69.29215  1   371   3   2    0.15000
 H       4.53005  1    100.13110  1    341.41370  1     3   2   1    0.21220
 O       3.61947  0     99.16701  0    345.70505  0     3   2   1   -0.44040
 H       0.96550  1    103.81762  1    321.98085  1   411 410   3    0.22170

