REAL300000674680.mol2 29                                                        
   1       O    -0.73   -47.50    16.88      19.05       0.32   -47.18     15
   2       C     0.47    28.81     8.05      71.24       0.57    29.38     15
   3       O    -0.75   -53.38    18.00      19.04       0.34   -53.04     15
   4       C    -0.15    -6.56     5.07      29.85       0.15    -6.41     15
   5       C    -0.11    -3.30     4.99      29.85       0.15    -3.15     15
   6       C     0.54    12.26     7.67      87.66       0.67    12.94     15
   7       O    -0.53   -14.40    13.44      -3.05      -0.04   -14.44     15
   8       N    -0.66    -9.10     5.34    -303.51      -1.62   -10.72     15
   9       C     0.21     2.53     6.29      38.15       0.24     2.77     15
  10       C    -0.11    -0.93     8.70      22.39       0.19    -0.74     15
  11       C    -0.01    -0.01    10.04      22.25       0.22     0.21     15
  12       C    -0.12    -0.92     8.62      22.29       0.19    -0.73     15
  13       C     0.35     5.65     4.82      22.25       0.11     5.76     15
  14       F    -0.22    -8.69    16.66      44.97       0.75    -7.94     15
  15       F    -0.15    -4.38    15.31      44.97       0.69    -3.70     15
  16       F    -0.17    -5.10    15.29      44.97       0.69    -4.41     15
  17       F    -0.15    -4.36    15.31      44.97       0.69    -3.67     15
  18       F    -0.17    -5.23    15.32      44.97       0.69    -4.54     15
  19       C    -0.15    -2.02     8.54      22.39       0.19    -1.83     15
  20       H     0.07     3.11     8.10      -2.39      -0.02     3.09     15
  21       H     0.08     3.28     8.10      -2.38      -0.02     3.26     15
  22       H     0.11     3.27     8.10      -2.39      -0.02     3.26     15
  23       H     0.10     3.24     8.10      -2.39      -0.02     3.22     15
  24       H     0.44     3.70     8.82     -92.71      -0.82     2.88     15
  25       H     0.18     1.87     6.24      -2.91      -0.02     1.86     15
  26       H     0.23    -1.51     8.06      -2.91      -0.02    -1.53     15
  27       H     0.20     1.02     7.39      -2.91      -0.02     1.00     15
  28       H     0.18     2.40     7.39      -2.91      -0.02     2.38     15
 Total:         -1.00   -96.26   274.64                  4.22   -92.04