REAL300031882685.mol2 33                                                        
   1       O    -0.49   -37.75    12.08      -3.04      -0.04   -37.79     16
   2       C     0.48    30.16     7.15      87.66       0.63    30.79     16
   3       C     0.39    29.83     5.47      71.24       0.39    30.22     16
   4       F    -0.33   -41.17    16.66      44.97       0.75   -40.42     16
   5       F    -0.71   -84.82    15.87      44.97       0.71   -84.10     16
   6       F    -0.48   -53.61    13.72      44.97       0.62   -52.99     16
   7       F    -0.67   -79.54    15.88      44.97       0.71   -78.83     16
   8       F    -0.48   -53.44    13.70      44.97       0.62   -52.82     16
   9       N    -0.69   -24.46     5.26    -440.03      -2.32   -26.78     16
  10       C     0.09     2.15     4.30      45.52       0.20     2.34     16
  11       H     0.08     2.46     7.50      -2.39      -0.02     2.44     16
  12       C    -0.15    -1.69     7.63      31.12       0.24    -1.45     16
  13       C     0.13     0.30     4.13      45.61       0.19     0.48     16
  14       H     0.13     0.66     7.46      -2.39      -0.02     0.64     16
  15       N    -0.64     6.33     5.36    -442.78      -2.37     3.96     16
  16       C     0.55    -5.91     7.81      86.69       0.68    -5.23     16
  17       O    -0.49    -0.15    15.32      13.45       0.21     0.05     16
  18       C     0.30    -7.09     6.69      41.98       0.28    -6.81     16
  19       N    -0.62    20.19    10.83     -77.94      -0.84    19.35     16
  20       S     1.48   -62.76    24.20     -56.49      -1.37   -64.13     16
  21       N    -0.51    15.01    12.18    -177.23      -2.16    12.85     16
  22       C     0.36    -7.82     8.19      85.12       0.70    -7.13     16
  23       O    -0.16     1.44    17.64     -73.71      -1.30     0.14     16
  24       C    -0.13    -0.77     7.64      31.22       0.24    -0.53     16
  25       H     0.13     8.81     7.65      -2.38      -0.02     8.79     16
  26       H     0.13     8.87     7.65      -2.39      -0.02     8.85     16
  27       H     0.42    10.39     8.71     -92.71      -0.81     9.58     16
  28       H     0.14     0.47     8.12      -2.39      -0.02     0.45     16
  29       H     0.07     1.22     8.14      -2.39      -0.02     1.20     16
  30       H     0.44    -7.63     8.22     -92.70      -0.76    -8.40     16
  31       H     0.09     0.66     8.14      -2.38      -0.02     0.64     16
  32       H     0.14    -0.20     8.14      -2.39      -0.02    -0.22     16
 Total:         -1.00  -329.87   317.43                 -4.97  -334.84