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 C    1.5160000  1      0.000000  0      0.000000  0    1    0    0      0.0000
 C    1.6776816  1    116.432175  1      0.000000  0    1    2    0      0.0000
 C    1.5195039  1    117.762652  1     96.881359  1    1    2    3      0.0000
 H    1.1110384  1    109.709544  1   -129.506786  1    1    2    3      0.0000
 C    1.4794445  1     98.861893  1      6.729703  1    3    1    2      0.0000
 C    1.3616166  1    123.635010  1     20.116532  1    2    1    3      0.0000
 C    1.3464443  1     96.620354  1   -118.719067  1    4    1    2      0.0000
 H    1.0847863  1    128.902577  1     61.379107  1    4    1    2      0.0000
 N    1.5059302  1    115.570853  1   -163.280556  1    2    1    3      0.0000
 N    1.5254119  1    119.249940  1   -122.984230  1    3    1    2      0.0000
 C    1.3681532  1    112.010170  1    -57.095012  1    6    3    1      0.0000
 H    1.0931794  1    126.230068  1    176.266271  1    7    2    1      0.0000
 H    1.0849453  1    135.747406  1   -178.285190  1    8    4    1      0.0000
 H    1.0992247  1    116.054173  1     88.223671  1    6    3    1      0.0000
 O    1.2121768  1    118.544588  1     90.715157  1   10    2    1      0.0000
 O    1.2104346  1    118.555014  1   -152.212816  1   11    3    1      0.0000
 O    1.2112743  1    118.734371  1    -89.375360  1   10    2    1      0.0000
 O    1.2131130  1    118.805090  1     28.231547  1   11    3    1      0.0000
 H    1.0974029  1    124.886674  1    -57.037779  1   12    6    3      0.0000