REAL300033805230.mol2 34                                                        
   1       O    -0.47   -27.98    10.46      -3.06      -0.03   -28.01     16
   2       C     0.50    25.26     6.66      87.66       0.58    25.85     16
   3       C     0.37    25.52     5.47      71.24       0.39    25.91     16
   4       F    -0.32   -37.56    16.66      44.97       0.75   -36.81     16
   5       F    -0.73   -79.01    15.88      44.97       0.71   -78.29     16
   6       F    -0.45   -45.77    13.71      44.97       0.62   -45.16     16
   7       F    -0.71   -79.92    15.87      44.97       0.71   -79.20     16
   8       F    -0.43   -40.03    13.71      44.97       0.62   -39.41     16
   9       N    -0.69   -19.58     5.10    -427.57      -2.18   -21.77     16
  10       C     0.12     1.92     0.83       5.36       0.00     1.92     16
  11       C     0.08     1.20     6.45      71.98       0.46     1.66     16
  12       O    -0.58   -10.08    13.54    -148.98      -2.02   -12.09     16
  13       C     0.14     0.50     8.17      86.48       0.71     1.20     16
  14       N    -0.58    -3.16     3.61    -839.83      -3.03    -6.19     16
  15       C     0.57     2.67     8.04      86.69       0.70     3.37     16
  16       O    -0.49    -4.96    16.45      13.48       0.22    -4.74     16
  17       C     0.29    -0.73     6.68      41.98       0.28    -0.45     16
  18       N    -0.63     3.19     9.34     -77.89      -0.73     2.46     16
  19       S     1.44   -23.43    24.20     -56.49      -1.37   -24.79     16
  20       N    -0.49     5.15    12.18    -177.23      -2.16     2.99     16
  21       C     0.37    -1.61     8.19      85.12       0.70    -0.91     16
  22       O    -0.15    -0.49    17.64     -73.75      -1.30    -1.79     16
  23       C     0.10     0.96     6.51      86.48       0.56     1.52     16
  24       H     0.12     7.41     7.65      -2.39      -0.02     7.39     16
  25       H     0.11     7.07     7.65      -2.39      -0.02     7.05     16
  26       H     0.42     9.15     8.77     -92.71      -0.81     8.34     16
  27       H     0.12     0.34     8.09      -2.39      -0.02     0.32     16
  28       H     0.02     0.63     7.56      -2.38      -0.02     0.62     16
  29       H     0.40     4.14     9.12     -74.06      -0.68     3.47     16
  30       H     0.17    -0.92     8.06      -2.39      -0.02    -0.94     16
  31       H     0.12     0.41     8.13      -2.39      -0.02     0.39     16
  32       H     0.09     1.76     5.98      -2.39      -0.01     1.75     16
  33       H     0.17    -0.04     8.10      -2.39      -0.02    -0.06     16
 Total:         -1.00  -277.99   324.44                 -6.43  -284.41