REAL300032548055.mol2 32                                                        
   1       C    -0.16    -1.53     9.48      37.16       0.35    -1.17     16
   2       C     0.13     1.24     2.73     -67.93      -0.19     1.06     16
   3       H     0.10     1.04     7.58     -51.93      -0.39     0.64     16
   4       C     0.12     0.76     5.23      -4.04      -0.02     0.74     16
   5       N    -0.71    -3.64     5.39     -60.30      -0.32    -3.97     16
   6       C     0.46     3.07     7.15     -10.99      -0.08     3.00     16
   7       O    -0.44    -5.13    12.46       5.56       0.07    -5.06     16
   8       C     0.37     1.58     5.47      36.00       0.20     1.78     16
   9       F    -0.04    -0.62    16.66       2.25       0.04    -0.58     16
  10       F    -0.16    -2.31    13.71       2.25       0.03    -2.28     16
  11       F    -0.15    -1.91    15.88       2.25       0.04    -1.87     16
  12       F    -0.28    -3.86    15.87       2.25       0.04    -3.82     16
  13       F    -0.16    -2.32    13.71       2.25       0.03    -2.29     16
  14       N    -0.73    -9.35     4.51     -54.85      -0.25    -9.60     16
  15       C     0.61    12.03     7.77     -12.48      -0.10    11.93     16
  16       O    -0.50   -11.82    15.38     -13.01      -0.20   -12.02     16
  17       C    -0.06    -1.34     6.69     -83.92      -0.56    -1.90     16
  18       N    -0.50    -9.82    10.83      24.03       0.26    -9.56     16
  19       S     0.40     7.95    24.20    -107.50      -2.60     5.34     16
  20       N    -0.60   -15.92    12.18      28.50       0.35   -15.57     16
  21       C     0.38    10.99     8.19     -17.49      -0.14    10.85     16
  22       O    -0.66   -22.38    17.64     -37.36      -0.66   -23.04     16
  23       H     0.07     0.49     8.14     -51.93      -0.42     0.07     16
  24       H     0.06     0.54     8.14     -51.93      -0.42     0.11     16
  25       H     0.07     0.94     8.14     -51.93      -0.42     0.52     16
  26       H     0.09     0.58     8.14     -51.93      -0.42     0.16     16
  27       H     0.10     0.56     8.14     -51.93      -0.42     0.14     16
  28       H     0.41     1.53     8.14     -40.82      -0.33     1.20     16
  29       H     0.19    -0.04     7.65     -51.93      -0.40    -0.44     16
  30       H     0.19    -0.07     7.65     -51.92      -0.40    -0.46     16
  31       H     0.40     4.57     8.09     -40.82      -0.33     4.24     16
 Total:         -1.00   -44.18   310.95                 -3.00   -47.18