REAL300018669111.mol2 45                                                        
   1       O    -0.69   -14.53    17.50     -20.22      -0.35   -14.88     16
   2       C     0.50     8.88     3.59      36.00       0.13     9.01     16
   3       O    -0.69   -15.33    17.85     -20.23      -0.36   -15.69     16
   4       C    -0.17    -1.63     2.18     -91.77      -0.20    -1.83     16
   5       C    -0.09    -0.20     4.64     -26.73      -0.12    -0.33     16
   6       C    -0.11     0.34     5.03     -26.73      -0.13     0.21     16
   7       C    -0.15     1.88     5.44     -26.73      -0.15     1.73     16
   8       C    -0.01     0.22     5.37      -3.82      -0.02     0.20     16
   9       N    -0.51    12.63     1.74    -115.06      -0.20    12.43     16
  10       H     0.43   -11.18     8.66     -39.29      -0.34   -11.52     16
  11       H     0.43   -11.40     8.66     -39.29      -0.34   -11.74     16
  12       C     0.05    -1.09     5.49      -4.98      -0.03    -1.12     16
  13       C    -0.16     3.11     5.36    -104.53      -0.56     2.55     16
  14       C    -0.05     0.87     9.68     -39.63      -0.38     0.49     16
  15       C    -0.11     1.23     9.75     -39.25      -0.38     0.85     16
  16       C     0.32    -2.64     9.80     -38.72      -0.38    -3.01     16
  17       O    -0.64    -0.85    17.25     -57.73      -1.00    -1.85     16
  18       O    -0.64    -0.80    17.25     -57.73      -1.00    -1.80     16
  19       C    -0.11     1.26     9.75     -39.25      -0.38     0.88     16
  20       C    -0.05     0.91     9.68     -39.63      -0.38     0.52     16
  21       C    -0.14    -1.20     4.80     -26.73      -0.13    -1.33     16
  22       C     0.45     5.10     3.15      37.16       0.12     5.22     16
  23       F    -0.16    -2.65    14.94       2.25       0.03    -2.61     16
  24       F    -0.20    -1.96    17.32       2.25       0.04    -1.92     16
  25       F    -0.19    -2.10    16.71       2.25       0.04    -2.06     16
  26       H     0.07     0.72     7.64     -51.93      -0.40     0.33     16
  27       H     0.07     0.27     7.97     -51.93      -0.41    -0.15     16
  28       H     0.05    -0.05     8.14     -51.93      -0.42    -0.48     16
  29       H     0.07    -0.24     8.14     -51.93      -0.42    -0.66     16
  30       H     0.08     0.11     7.38     -51.93      -0.38    -0.28     16
  31       H     0.09    -1.12     8.14     -51.93      -0.42    -1.54     16
  32       H     0.08    -1.22     8.14     -51.93      -0.42    -1.64     16
  33       H     0.13    -2.69     8.14     -51.93      -0.42    -3.12     16
  34       H     0.14    -2.56     8.14     -51.93      -0.42    -2.98     16
  35       H     0.15    -3.63     8.08     -51.93      -0.42    -4.05     16
  36       H     0.15    -3.58     8.08     -51.93      -0.42    -4.00     16
  37       H     0.17    -3.38     8.06     -52.49      -0.42    -3.81     16
  38       H     0.18    -1.83     7.77     -52.49      -0.41    -2.24     16
  39       H     0.35    -0.25     8.90      45.56       0.41     0.15     16
  40       H     0.35    -0.27     8.90      45.56       0.41     0.13     16
  41       H     0.18    -1.88     7.77     -52.49      -0.41    -2.29     16
  42       H     0.17    -3.47     8.06     -52.48      -0.42    -3.89     16
  43       H     0.11     0.99     7.97     -51.93      -0.41     0.57     16
  44       H     0.09     0.37     8.14     -51.93      -0.42    -0.05     16
 Total:          0.00   -54.84   385.22                 -6.94   -61.78