REAL300034166755.mol2 34                                                        
   1       O    -0.45    -5.88    13.00       5.55       0.07    -5.81     16
   2       C     0.49     3.82     7.29     -10.98      -0.08     3.74     16
   3       C     0.39     1.92     4.93      36.01       0.18     2.10     16
   4       F    -0.14    -2.75    16.66       2.25       0.04    -2.71     16
   5       F    -0.13    -2.04    13.72       2.25       0.03    -2.01     16
   6       F    -0.20    -2.90    15.87       2.25       0.04    -2.86     16
   7       F    -0.11    -1.84    13.70       2.25       0.03    -1.81     16
   8       F    -0.22    -2.98    15.88       2.25       0.04    -2.95     16
   9       N    -0.61    -3.58     2.61    -161.82      -0.42    -4.00     16
  10       C     0.09     0.28     6.40      -0.53       0.00     0.27     16
  11       C    -0.14    -0.76     6.26     -92.07      -0.58    -1.34     16
  12       H     0.13     0.66     8.14     -51.93      -0.42     0.24     16
  13       C    -0.14    -0.55     8.02     -25.79      -0.21    -0.75     16
  14       C     0.11     0.75     6.32     -68.57      -0.43     0.32     16
  15       H     0.14     1.08     8.14     -51.93      -0.42     0.65     16
  16       C     0.12     1.13     4.06     -69.63      -0.28     0.85     16
  17       H     0.14     1.53     7.17     -51.93      -0.37     1.16     16
  18       N    -0.72   -10.26     4.83     -56.53      -0.27   -10.53     16
  19       C     0.61    13.01     7.81     -12.48      -0.10    12.92     16
  20       O    -0.50   -12.41    15.31     -13.01      -0.20   -12.61     16
  21       C    -0.06    -1.44     6.69     -83.92      -0.56    -2.00     16
  22       N    -0.50   -10.64    10.83      24.02       0.26   -10.38     16
  23       S     0.40     8.57    24.20    -107.50      -2.60     5.97     16
  24       N    -0.60   -16.57    12.18      28.49       0.35   -16.23     16
  25       C     0.38    11.48     8.19     -17.49      -0.14    11.33     16
  26       O    -0.66   -23.05    17.64     -37.40      -0.66   -23.70     16
  27       H     0.19     0.16     7.65     -51.92      -0.40    -0.24     16
  28       H     0.19    -0.17     7.65     -51.93      -0.40    -0.57     16
  29       H     0.10    -0.04     8.14     -51.92      -0.42    -0.46     16
  30       H     0.10     0.32     7.63     -51.93      -0.40    -0.08     16
  31       H     0.09     0.25     8.14     -51.93      -0.42    -0.17     16
  32       H     0.12     0.39     7.89     -51.93      -0.41    -0.01     16
  33       H     0.40     5.21     6.82     -40.82      -0.28     4.93     16
 Total:         -1.00   -47.27   319.76                 -4.64   -51.91