REAL300030904049.mol2 36                                                        
   1       O    -0.45    -4.40    12.46       5.55       0.07    -4.33     16
   2       C     0.46     1.75     7.15     -10.98      -0.08     1.67     16
   3       C     0.36     0.42     5.47      36.01       0.20     0.62     16
   4       F     0.00     0.05    16.66       2.25       0.04     0.09     16
   5       F    -0.20    -2.15    15.87       2.25       0.04    -2.11     16
   6       F    -0.07    -0.87    13.72       2.25       0.03    -0.84     16
   7       F    -0.29    -3.21    15.88       2.25       0.04    -3.17     16
   8       F    -0.20    -2.55    13.70       2.25       0.03    -2.52     16
   9       N    -0.70    -0.76     5.56     -60.30      -0.33    -1.10     16
  10       C     0.13     0.52     5.51      -4.04      -0.02     0.50     16
  11       C    -0.12    -0.54     3.75     -89.81      -0.34    -0.87     16
  12       C    -0.14    -0.89     7.38     -25.92      -0.19    -1.08     16
  13       C     0.13     1.44     4.24     -67.12      -0.28     1.16     16
  14       N    -0.72   -11.37     5.35     -54.07      -0.29   -11.66     16
  15       C     0.61    13.85     7.81     -12.48      -0.10    13.75     16
  16       O    -0.50   -13.36    15.32     -13.01      -0.20   -13.56     16
  17       C    -0.06    -1.41     6.69     -83.92      -0.56    -1.97     16
  18       N    -0.50   -11.02    10.83      24.03       0.26   -10.76     16
  19       S     0.39     8.53    24.20    -107.50      -2.60     5.93     16
  20       N    -0.60   -16.96    12.18      28.50       0.35   -16.62     16
  21       C     0.38    11.78     8.19     -17.49      -0.14    11.64     16
  22       O    -0.66   -23.61    17.64     -37.38      -0.66   -24.27     16
  23       C    -0.14    -1.19     7.44     -25.92      -0.19    -1.39     16
  24       H     0.18    -0.61     7.65     -51.92      -0.40    -1.01     16
  25       H     0.18    -0.69     7.65     -51.93      -0.40    -1.08     16
  26       H     0.41    -1.19     8.47     -40.82      -0.35    -1.54     16
  27       H     0.08     0.44     7.84     -51.93      -0.41     0.03     16
  28       H     0.08     0.40     8.14     -51.93      -0.42    -0.02     16
  29       H     0.10     0.27     8.14     -51.93      -0.42    -0.16     16
  30       H     0.08     0.38     8.14     -51.93      -0.42    -0.04     16
  31       H     0.09     0.56     7.87     -51.93      -0.41     0.15     16
  32       H     0.12     1.49     7.46     -51.93      -0.39     1.10     16
  33       H     0.40     5.73     8.22     -40.82      -0.34     5.40     16
  34       H     0.09     0.79     8.10     -51.93      -0.42     0.37     16
  35       H     0.08     0.72     8.14     -51.93      -0.42     0.29     16
 Total:         -1.00   -47.64   338.83                 -4.63   -52.27