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 H       1.12325  1    109.77960  1    336.66235  1   223 219 218    0.08550
 H       1.12363  1    109.57792  1     94.12869  1   223 219 218    0.09300
 H       1.13386  1    106.50488  1    207.20467  1   219 218   3    0.13800
 H       1.00147  1    111.58234  1     57.34031  1   218   3   2    0.14890
 H       1.00157  1     90.00912  1    307.39281  1   218   3   2    0.13160
 N       9.32589  0    148.49850  0    217.13966  0     3   2   1   -0.32170
 C       1.47774  0     57.95963  0    104.42399  0   240   3   2   -0.11550
 C       1.51432  0    111.43394  0     71.58897  0   241 240   3    0.21710
 O       1.23796  0    120.10755  0    131.27173  0   242 241 240   -0.31880
 H       1.10990  1    117.34773  1    309.37476  1   242 241 240    0.10320
 C       1.54682  1    114.44146  1    308.54294  1   241 240   3   -0.13290
 C       1.51366  1    110.33097  1    180.87772  1   245 241 240   -0.22080
 H       1.11865  1    110.67863  1     61.54063  1   246 245 241    0.10860
 H       1.11711  1    110.31662  1    181.73083  1   246 245 241    0.08030
 H       1.11846  1    110.68455  1    301.47598  1   246 245 241    0.07680
 C       1.51462  1    110.53923  1    302.46076  1   245 241 240   -0.22300
 H       1.11720  1    111.39765  1     68.46984  1   250 245 241    0.05090
 H       1.11835  1    109.89314  1    187.81515  1   250 245 241    0.08580
 H       1.11718  1    110.58476  1    307.33897  1   250 245 241    0.09250
 H       1.12864  1    108.29020  1     61.56412  1   245 241 240    0.10320
 H       1.13290  1    106.70964  1    189.35883  1   241 240   3    0.13740
 H       1.00192  1    121.04441  1     11.15183  1   240   3   2    0.14060
 H       1.00410  1     51.19691  1    281.81478  1   240   3   2    0.13810
 N      10.70920  0    161.02234  0    300.98350  0     3   2   1   -0.32950
 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    0.19680
 O       1.23337  0    122.18349  0    206.71515  0   260 259 258   -0.33280
 H       1.11287  1    116.45520  1     29.16182  1   260 259 258    0.10000
 C       1.53288  1    114.32858  1    323.35998  1   259 258   3   -0.19920
 C       1.52306  1    111.66284  1    279.95829  1   263 259 258   -0.10600
 C       1.51473  1    111.23582  1    153.42308  1   264 263 259   -0.21990
 H       1.11653  1    110.67836  1     66.31879  1   265 264 263    0.06650
 H       1.12202  1    109.43684  1    186.75491  1   265 264 263    0.12440
 H       1.11779  1    110.52412  1    305.84797  1   265 264 263    0.06650
 C       1.51583  1    110.89008  1    276.18281  1   264 263 259   -0.22480
 H       1.11653  1    110.65501  1     67.59454  1   269 264 263    0.05650
 H       1.11774  1    110.05749  1    187.88191  1   269 264 263    0.10200
 H       1.11878  1    110.91144  1    307.27298  1   269 264 263    0.08680
 H       1.12781  1    108.81805  1     35.64831  1   264 263 259    0.08700
 H       1.12374  1    109.69116  1     41.94571  1   263 259 258    0.09350
 H       1.12130  1    109.10189  1    159.04630  1   263 259 258    0.10410
 H       1.13617  1    106.58163  1    204.42638  1   259 258   3    0.12320
 H       1.00348  1     99.93715  1    292.41084  1   258   3   2    0.16010
 H       1.00428  1     31.50310  1    185.41762  1   258   3   2    0.14780
 N       8.36458  0     47.62805  0    220.21231  0     3   2   1   -0.33410
 C       1.47835  0     61.24542  0     67.22159  0   279   3   2   -0.03450
 C       1.51781  0    114.00427  0    109.21645  0   280 279   3    0.29210
 O       1.24606  0    120.23596  0    130.28049  0   281 280 279   -0.43830
 N       1.33720  0    121.52500  0    307.87372  0   281 280 279   -0.28670
 C       1.46123  0    119.81866  0    181.42204  0   283 281 280   -0.04480
 C       1.52311  0    110.76539  0    298.61277  0   284 283 281    0.18860
 O       1.22828  0    119.95573  0    154.36018  0   285 284 283   -0.29600
 H       1.11081  1    117.71781  1    334.53569  1   285 284 283    0.09180
 C       1.54058  1    107.67391  1    176.63182  1   284 283 281   -0.15030
 C       1.52335  1    106.37040  1    356.54130  1   288 284 283   -0.17100
 C       1.53770  1    106.76125  1      3.75100  1   289 288 284   -0.02330
 H       1.12577  1    109.03879  1    116.63580  1   290 289 288    0.05350
 H       1.12500  1    110.48991  1    237.13752  1   290 289 288    0.13190
 H       1.11709  1    111.14368  1    124.21072  1   289 288 284    0.07450
 H       1.12078  1    110.56675  1    244.57724  1   289 288 284    0.11980
 H       1.11799  1    111.01261  1    117.84007  1   288 284 283    0.07720
 H       1.12074  1    109.34822  1    237.02569  1   288 284 283    0.11810
 H       1.13466  1    108.60264  1     57.75164  1   284 283 281    0.15930
 C       1.53485  1    114.36022  1    340.20810  1   280 279   3   -0.11990
 C       1.46921  1    113.22517  1    318.05258  1   298 280 279   -0.12300
 C       1.39385  1    126.09673  1    113.60477  1   299 298 280   -0.08450
 N       1.40240  1    110.48574  1    180.46785  1   300 299 298   -0.21110
 C       1.39989  1    107.92106  1    356.34547  1   301 300 299   -0.00440
 C       1.44822  1    108.14232  1      3.56151  1   302 301 300   -0.06420
 C       1.39177  1    119.40607  1    178.17604  1   303 302 301   -0.05970
 C       1.38946  1    118.97562  1      0.21810  1   304 303 302   -0.17340
 C       1.40401  1    121.34746  1    359.89065  1   305 304 303   -0.12460
 C       1.38758  1    121.56228  1      0.03508  1   306 305 304   -0.16190
 H       1.09702  1    121.16956  1    180.40455  1   307 306 305    0.11890
 H       1.09959  1    119.09493  1    179.63942  1   306 305 304    0.11300
 H       1.09932  1    119.54131  1    179.44673  1   305 304 303    0.12280
 H       1.10027  1    120.09422  1    179.79763  1   304 303 302    0.14480
 H       0.98594  1    123.67288  1    199.26858  1   301 300 299    0.23950
 H       1.09579  1    129.43729  1      0.93267  1   300 299 298    0.18700
 H       1.12699  1    110.74437  1     82.87442  1   298 280 279    0.13980
 H       1.12565  1    107.45418  1    198.09676  1   298 280 279    0.11710
 H       1.13693  1    104.23840  1    223.33447  1   280 279   3    0.12370
 H       1.00112  1     50.29823  1    232.88092  1   279   3   2    0.14510
 H       1.00005  1    136.20591  1    157.38592  1   279   3   2    0.13560
 N      11.52547  0     55.38112  0    264.52042  0     3   2   1   -0.34670
 C       1.46046  0     93.60450  0    112.55228  0   319   3   2   -0.09340
 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   -0.30420
 H       1.10827  1    116.34599  1    134.81971  1   321 320 319    0.08830
 C       1.54732  1    115.53492  1     49.90780  1   320 319   3   -0.14080
 C       1.52441  1    109.99808  1    295.62772  1   324 320 319   -0.16460
 C       1.50739  1    113.06678  1    167.09303  1   325 324 320   -0.22000
 H       1.11675  1    111.15586  1     70.83313  1   326 325 324    0.06710
 H       1.12049  1    109.85104  1    190.60326  1   326 325 324    0.10640
 H       1.11757  1    110.86550  1    309.89659  1   326 325 324    0.06950
 H       1.12359  1    109.19731  1    289.36708  1   325 324 320    0.08480
 H       1.12445  1    110.23528  1     46.75428  1   325 324 320    0.09280
 C       1.51369  1    109.94082  1    173.36192  1   324 320 319   -0.21410
 H       1.11747  1    110.76991  1     57.65941  1   332 324 320    0.07360
 H       1.11812  1    110.09048  1    177.48036  1   332 324 320    0.08600
 H       1.11756  1    110.72340  1    296.87620  1   332 324 320    0.06500
 H       1.12664  1    108.38756  1     54.44588  1   324 320 319    0.10960
 H       1.13409  1    105.89984  1    291.84607  1   320 319   3    0.10340
 H       1.00365  1     19.05763  1    319.62342  1   319   3   2    0.17080
 H       1.00322  1    108.45920  1    225.09843  1   319   3   2    0.16070
 N      13.81645  0    117.46542  0    317.45664  0     3   2   1   -0.35190
 C       1.46975  0     69.59418  0    265.79365  0   340   3   2   -0.04860
 C       1.51854  0    109.42956  0     87.30937  0   341 340   3    0.27490
 O       1.22712  0    121.44309  0    110.88918  0   342 341 340   -0.42000
 N       1.33274  0    115.72040  0    292.58365  0   342 341 340   -0.36070
 C       1.46052  0    118.46101  0    181.64764  0   344 342 341   -0.02800
 C       1.52566  0    113.35886  0    280.16963  0   345 344 342    0.18150
 O       1.22406  0    121.51706  0    139.04305  0   346 345 344   -0.31660
 H       1.11453  1    115.53477  1    319.01445  1   346 345 344    0.12180
 C       1.53865  1    112.08655  1    158.26055  1   345 344 342   -0.16790
 C       1.52262  1    111.28886  1    199.99906  1   349 345 344   -0.11490
 C       1.51499  1    111.06443  1     80.88226  1   350 349 345   -0.20980
 H       1.11713  1    110.65141  1     61.97047  1   351 350 349    0.07820
 H       1.11649  1    110.24323  1    181.92592  1   351 350 349    0.07190
 H       1.11706  1    110.64196  1    301.85976  1   351 350 349    0.07670
 C       1.51500  1    110.36353  1    203.12647  1   350 349 345   -0.21010
 H       1.11686  1    110.77362  1     61.76381  1   355 350 349    0.06500
 H       1.11745  1    109.93290  1    181.50710  1   355 350 349    0.06770
 H       1.11714  1    110.59368  1    301.34789  1   355 350 349    0.08270
 H       1.12875  1    108.47180  1    321.84249  1   350 349 345    0.10020
 H       1.12247  1    110.12220  1    321.20223  1   349 345 344    0.09920
 H       1.12200  1    109.01977  1     78.50934  1   349 345 344    0.08640
 H       1.13453  1    107.18978  1     38.85452  1   345 344 342    0.11860
 H       1.00365  1    122.36966  1     11.91261  1   344 342 341    0.29230
 C       1.52230  1    114.50799  1    321.43443  1   341 340   3   -0.21740
 H       1.11972  1    111.32597  1     52.92836  1   364 341 340    0.10780
 H       1.11654  1    109.50167  1    173.75069  1   364 341 340    0.07440
 H       1.11688  1    110.01839  1    293.15905  1   364 341 340    0.08430
 H       1.13281  1    106.14137  1    201.94545  1   341 340   3    0.10220
 H       1.00665  1     42.60577  1    106.77899  1   340   3   2    0.17890
 H       1.00289  1    109.13832  1     11.49109  1   340   3   2    0.15410
 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   -0.06080
 C       1.52058  0    113.71970  0     78.47512  0   372 371   3    0.26880
 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   -0.36990
 C       1.46344  0    122.73833  0    184.27316  0   375 373 372   -0.03600
 C       1.51251  0    109.68839  0    272.90895  0   376 375 373    0.18770
 O       1.22625  0    122.47880  0    241.57476  0   377 376 375   -0.31250
 H       1.11341  1    115.18181  1     61.75634  1   377 376 375    0.10150
 C       1.53646  1    112.68787  1    149.10333  1   376 375 373   -0.12570
 C       1.48668  1    112.80355  1    308.47278  1   380 376 375   -0.09220
 C       1.39996  1    120.53824  1    285.71323  1   381 380 376   -0.11890
 C       1.39432  1    120.45249  1    179.56712  1   382 381 380   -0.13740
 C       1.39549  1    119.92578  1      0.66978  1   383 382 381   -0.11890
 C       1.39588  1    120.04036  1    359.49560  1   384 383 382   -0.13640
 C       1.39425  1    119.94252  1    359.88824  1   385 384 383   -0.13510
 H       1.10104  1    119.84425  1    181.69377  1   386 385 384    0.12280
 H       1.10316  1    120.08165  1    180.99432  1   385 384 383    0.14230
 H       1.10056  1    119.78436  1    180.23034  1   384 383 382    0.13460
 H       1.10626  1    119.99860  1    181.52218  1   383 382 381    0.16920
 H       1.10024  1    119.81978  1      0.73253  1   382 381 380    0.13120
 H       1.12337  1    109.00839  1     71.52965  1   380 376 375    0.10160
 H       1.12257  1    107.20871  1    187.26710  1   380 376 375    0.09460
 H       1.13519  1    107.70364  1     29.19344  1   376 375 373    0.13510
 H       0.99687  1    121.48770  1    355.54492  1   375 373 372    0.24710
 C       1.54347  1    111.52008  1    315.23567  1   372 371   3   -0.09350
 C       1.47161  1    110.82500  1    192.31390  1   396 372 371   -0.10550
 N       1.39702  1    124.11288  1     68.20127  1   397 396 372   -0.17460
 C       1.39331  1    106.62763  1    183.33350  1   398 397 396   -0.10990
 N       1.35567  1    111.45804  1    358.07221  1   399 398 397   -0.19560
 C       1.38843  1    105.93917  1      1.11402  1   400 399 398   -0.19250
 H       1.09067  1    122.20441  1    180.27151  1   401 400 399    0.17350
 H       1.09517  1    122.98129  1    177.87142  1   399 398 397    0.19760
 H       0.99926  1    124.68327  1    351.81423  1   398 397 396    0.29840
 H       1.12693  1    108.65598  1    313.39821  1   396 372 371    0.12220
 H       1.12239  1    110.96354  1     71.57371  1   396 372 371    0.09480
 H       1.14177  1    107.03109  1    196.85513  1   372 371   3    0.19720
 H       0.99942  1     77.05810  1    175.45271  1   371   3   2    0.15510
 H       0.99816  1    135.94626  1     69.51684  1   371   3   2    0.15160
 H       4.36951  1    106.18943  1    340.41583  1     3   2   1    0.21130
 O       3.61947  0     99.16701  0    345.70505  0     3   2   1   -0.43180
 H       0.96467  1    103.54950  1    311.67386  1   411 410   3    0.21530

