
 -169.489842 

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 C       1.43303  0      0.00000  0      0.00000  0     1   0   0   -0.07340
 C       1.48960  0    114.37444  0      0.00000  0     2   1   0    0.28590
 O       1.22130  0    115.94220  0     35.04188  0     3   2   1   -0.39230
 N       1.33077  0    117.40408  0    215.46347  0     3   2   1   -0.35710
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 C       1.53773  0    111.93592  0    301.16164  0     6   5   3    0.17790
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 C       1.45101  1    108.57818  1    359.09764  1    14  13  12   -0.07640
 C       1.39704  1    119.41639  1    180.89826  1    15  14  13   -0.10210
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 C       1.38397  1    121.64803  1      0.14406  1    18  17  16   -0.12140
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 N      14.20335  0     59.28055  0    165.82135  0     3   2   1   -0.33080
 C       1.46213  0     44.41215  0     98.20624  0    47   3   2   -0.10540
 C       1.54890  0    109.51012  0    112.42708  0    48  47   3    0.21300
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 H       1.00226  1     79.01141  1    232.48344  1    47   3   2    0.13350

