REAL300000674704.mol2 38                                                        
   1       O    -0.71   -47.99    14.76      19.02       0.28   -47.70     16
   2       C     0.47    28.03     5.29      71.23       0.38    28.41     16
   3       O    -0.73   -47.24    16.86      19.05       0.32   -46.92     16
   4       C    -0.15    -6.14     3.19      -9.80      -0.03    -6.17     16
   5       H     0.09     3.32     8.14      -2.39      -0.02     3.30     16
   6       C    -0.07    -2.51     4.74      -8.06      -0.04    -2.55     16
   7       H     0.08     3.05     8.14      -2.39      -0.02     3.04     16
   8       C    -0.14    -5.80     7.51      25.79       0.19    -5.60     16
   9       C    -0.17    -5.93     7.28      25.79       0.19    -5.74     16
  10       C    -0.04    -1.09     4.97      -7.17      -0.04    -1.13     16
  11       H     0.14     2.39     8.14      -2.39      -0.02     2.37     16
  12       C    -0.10    -2.28     6.81      34.37       0.23    -2.04     16
  13       C    -0.09    -2.71     3.19      -9.68      -0.03    -2.74     16
  14       H     0.14     2.80     8.11      -2.39      -0.02     2.78     16
  15       C     0.53    18.53     4.51      87.66       0.40    18.92     16
  16       O    -0.52   -20.73    10.81      -3.06      -0.03   -20.76     16
  17       N    -0.65   -19.05     5.00    -303.50      -1.52   -20.57     16
  18       C     0.22     6.19     6.31      38.15       0.24     6.43     16
  19       C    -0.11    -2.49     8.71      22.39       0.20    -2.30     16
  20       C    -0.01    -0.10    10.04      22.25       0.22     0.12     16
  21       C    -0.12    -2.42     8.62      22.29       0.19    -2.23     16
  22       C     0.35    10.46     4.82      22.25       0.11    10.56     16
  23       F    -0.22   -10.61    16.66      44.97       0.75    -9.86     16
  24       F    -0.14    -5.21    15.31      44.97       0.69    -4.52     16
  25       F    -0.17    -8.04    15.29      44.97       0.69    -7.35     16
  26       F    -0.16    -6.39    15.31      44.97       0.69    -5.70     16
  27       F    -0.17    -6.71    15.32      44.97       0.69    -6.02     16
  28       C    -0.16    -4.77     8.54      22.39       0.19    -4.58     16
  29       H     0.08     3.85     7.75      -2.92      -0.02     3.83     16
  30       H     0.12     3.94     7.92      -2.91      -0.02     3.92     16
  31       H     0.10     1.83     8.14      -2.38      -0.02     1.82     16
  32       H     0.09     1.90     8.14      -2.39      -0.02     1.88     16
  33       H     0.43     9.76     8.80     -92.71      -0.82     8.95     16
  34       H     0.18     3.96     6.16      -2.91      -0.02     3.95     16
  35       H     0.24     0.66     8.06      -2.91      -0.02     0.63     16
  36       H     0.20     2.98     7.39      -2.91      -0.02     2.96     16
  37       H     0.17     5.43     7.39      -2.91      -0.02     5.41     16
 Total:         -1.00   -99.15   322.15                  3.89   -95.25