REAL300019800069.mol2 40                                                        
   1       C    -0.14    -4.14     9.47      71.98       0.68    -3.45     16
   2       C    -0.11    -3.53     4.38      30.60       0.13    -3.40     16
   3       C     0.30     9.65     0.42       2.86       0.00     9.65     16
   4       C    -0.12    -3.74     4.77      30.60       0.15    -3.59     16
   5       C    -0.14    -4.41     9.36      71.98       0.67    -3.74     16
   6       N    -0.69   -16.57     3.35    -429.17      -1.44   -18.01     16
   7       C     0.57    10.44     6.98      86.79       0.61    11.05     16
   8       O    -0.53   -11.80    12.61      -3.89      -0.05   -11.85     16
   9       C    -0.11    -1.13     5.87     -20.09      -0.12    -1.24     16
  10       C    -0.02    -0.13     9.54      22.53       0.21     0.09     16
  11       C    -0.11    -1.12     8.60      22.23       0.19    -0.93     16
  12       C     0.36     5.21     4.83      22.33       0.11     5.32     16
  13       F    -0.21    -7.88    16.66      44.97       0.75    -7.14     16
  14       F    -0.16    -4.33    15.29      44.97       0.69    -3.64     16
  15       F    -0.17    -4.79    15.30      44.97       0.69    -4.11     16
  16       F    -0.16    -4.42    15.30      44.97       0.69    -3.73     16
  17       F    -0.16    -4.68    15.29      44.97       0.69    -3.99     16
  18       C    -0.10    -0.85     8.60      22.23       0.19    -0.66     16
  19       C     0.02     0.11     9.60      22.53       0.22     0.32     16
  20       C     0.06     2.79     5.87     138.58       0.81     3.60     16
  21       N    -0.38   -19.55    10.14     -51.29      -0.52   -20.07     16
  22       N    -0.22   -12.60    13.47      37.02       0.50   -12.10     16
  23       N    -0.22   -12.26    13.47      37.02       0.50   -11.76     16
  24       N    -0.37   -18.11    10.08     -51.29      -0.52   -18.63     16
  25       H     0.04     1.49     6.17      -2.39      -0.01     1.48     16
  26       H     0.06     1.43     7.29      -2.39      -0.02     1.41     16
  27       H     0.06     1.61     8.14      -2.39      -0.02     1.59     16
  28       H     0.06     1.96     8.04      -2.39      -0.02     1.94     16
  29       H     0.09     2.60     6.32      -2.39      -0.02     2.59     16
  30       H     0.05     1.72     8.14      -2.39      -0.02     1.70     16
  31       H     0.10     2.73     6.16      -2.39      -0.01     2.72     16
  32       H     0.05     1.84     5.68      -2.39      -0.01     1.83     16
  33       H     0.06     1.53     8.14      -2.39      -0.02     1.51     16
  34       H     0.06     1.61     7.60      -2.39      -0.02     1.59     16
  35       H     0.41     9.12     6.50     -92.71      -0.60     8.52     16
  36       H     0.19     1.16     6.41      -2.91      -0.02     1.14     16
  37       H     0.20     1.80     7.38      -2.91      -0.02     1.78     16
  38       H     0.21     1.13     7.38      -2.91      -0.02     1.11     16
  39       H     0.22     0.51     7.65      -2.91      -0.02     0.48     16
 Total:         -1.00   -75.60   336.25                  4.97   -70.63