REAL300034189239.mol2 34                                                        
   1       O    -0.44    -6.21    12.87       5.55       0.07    -6.14     16
   2       C     0.48     3.63     7.21     -10.98      -0.08     3.55     16
   3       C     0.39     1.48     4.39      36.01       0.16     1.64     16
   4       F    -0.14    -2.66    16.66       2.25       0.04    -2.63     16
   5       F    -0.21    -2.85    15.88       2.25       0.04    -2.82     16
   6       F    -0.13    -1.98    13.70       2.25       0.03    -1.95     16
   7       F    -0.11    -1.78    13.72       2.25       0.03    -1.75     16
   8       F    -0.22    -2.91    15.87       2.25       0.04    -2.87     16
   9       N    -0.58    -3.01     3.25    -159.38      -0.52    -3.53     16
  10       C     0.08     0.02     6.94      -2.13      -0.01     0.01     16
  11       C    -0.11    -0.27     6.85     -24.88      -0.17    -0.44     16
  12       C    -0.16    -1.00     6.83     -89.17      -0.61    -1.61     16
  13       H     0.13     0.72     8.14     -51.93      -0.42     0.30     16
  14       C     0.13     1.56     6.35     -65.52      -0.42     1.14     16
  15       H     0.14     2.00     7.39     -51.93      -0.38     1.62     16
  16       N    -0.70   -11.24     5.57     -52.52      -0.29   -11.53     16
  17       C     0.61    14.15     7.81     -12.48      -0.10    14.05     16
  18       O    -0.49   -13.28    15.28     -13.00      -0.20   -13.48     16
  19       C    -0.06    -1.42     6.69     -83.92      -0.56    -1.98     16
  20       N    -0.50   -11.00    10.83      24.03       0.26   -10.74     16
  21       S     0.40     8.70    24.20    -107.50      -2.60     6.10     16
  22       N    -0.60   -16.97    12.18      28.50       0.35   -16.62     16
  23       C     0.38    11.87     8.19     -17.49      -0.14    11.73     16
  24       O    -0.66   -23.66    17.64     -37.35      -0.66   -24.32     16
  25       C     0.04     0.31     7.04     -64.26      -0.45    -0.14     16
  26       H     0.14     1.09     8.14     -51.93      -0.42     0.67     16
  27       H     0.19    -0.39     7.65     -51.92      -0.40    -0.78     16
  28       H     0.19    -0.26     7.42     -51.93      -0.39    -0.65     16
  29       H     0.09    -0.31     7.25     -51.93      -0.38    -0.69     16
  30       H     0.10    -0.15     8.14     -51.93      -0.42    -0.57     16
  31       H     0.09     0.30     8.14     -51.93      -0.42    -0.12     16
  32       H     0.10     0.06     8.14     -51.93      -0.42    -0.36     16
  33       H     0.41     5.71     8.32     -40.82      -0.34     5.37     16
 Total:         -1.00   -49.74   324.69                 -4.91   -54.65