REAL300018669110.mol2 45                                                        
   1       O    -0.68   -15.38    17.46     -20.23      -0.35   -15.74     16
   2       C     0.50     9.57     3.92      36.01       0.14     9.71     16
   3       O    -0.68   -16.05    17.98     -20.22      -0.36   -16.41     16
   4       C    -0.17    -1.82     2.14     -91.77      -0.20    -2.01     16
   5       C    -0.09    -0.37     4.66     -26.73      -0.12    -0.50     16
   6       C    -0.11     0.02     4.95     -26.73      -0.13    -0.11     16
   7       C    -0.14     1.28     5.44     -26.73      -0.15     1.14     16
   8       C     0.00     0.06     5.37      -3.82      -0.02     0.04     16
   9       N    -0.50     8.91     1.60    -115.05      -0.18     8.73     16
  10       H     0.43    -7.09     7.09     -39.30      -0.28    -7.36     16
  11       H     0.42    -9.01     8.67     -39.29      -0.34    -9.35     16
  12       C     0.04    -0.74     4.65      -4.98      -0.02    -0.77     16
  13       C    -0.14     2.13     5.38    -104.29      -0.56     1.57     16
  14       C    -0.06     1.00     9.66     -39.63      -0.38     0.62     16
  15       C    -0.11     1.65    10.04     -39.48      -0.40     1.26     16
  16       C    -0.04     0.64    10.03     -39.63      -0.40     0.24     16
  17       C    -0.11     1.29     9.75     -39.25      -0.38     0.90     16
  18       C     0.31    -3.43     9.76     -38.72      -0.38    -3.80     16
  19       O    -0.59     1.25    17.25     -57.73      -1.00     0.26     16
  20       O    -0.73     4.78    12.39     -57.73      -0.72     4.06     16
  21       C    -0.14    -1.35     4.78     -26.73      -0.13    -1.48     16
  22       C     0.45     5.42     3.14      37.16       0.12     5.53     16
  23       F    -0.17    -2.78    15.36       2.25       0.03    -2.74     16
  24       F    -0.20    -2.05    17.32       2.25       0.04    -2.01     16
  25       F    -0.19    -2.24    16.48       2.25       0.04    -2.20     16
  26       H     0.08     0.83     7.46     -51.93      -0.39     0.44     16
  27       H     0.07     0.41     8.05     -51.93      -0.42    -0.01     16
  28       H     0.05     0.03     8.14     -51.93      -0.42    -0.39     16
  29       H     0.07    -0.05     8.14     -51.93      -0.42    -0.47     16
  30       H     0.08     0.34     7.56     -51.93      -0.39    -0.06     16
  31       H     0.09    -0.72     8.14     -51.93      -0.42    -1.14     16
  32       H     0.08    -0.92     8.14     -51.93      -0.42    -1.35     16
  33       H     0.13    -2.00     8.14     -51.93      -0.42    -2.43     16
  34       H     0.14    -1.57     8.14     -51.93      -0.42    -1.99     16
  35       H     0.14    -2.77     8.00     -51.93      -0.42    -3.18     16
  36       H     0.17    -2.24     5.74     -51.93      -0.30    -2.54     16
  37       H     0.17    -3.41     8.03     -52.49      -0.42    -3.83     16
  38       H     0.17    -2.83     8.06     -52.49      -0.42    -3.25     16
  39       H     0.17    -2.74     8.06     -52.49      -0.42    -3.16     16
  40       H     0.18    -1.90     7.77     -52.48      -0.41    -2.31     16
  41       H     0.36    -1.35     8.90      45.56       0.41    -0.95     16
  42       H     0.35    -1.89     8.90      45.56       0.41    -1.49     16
  43       H     0.11     1.13     7.86     -51.93      -0.41     0.72     16
  44       H     0.09     0.45     8.14     -51.93      -0.42     0.03     16
 Total:          0.00   -45.49   376.67                 -6.60   -52.09