REAL300033534980.mol2 36                                                        
   1       C    -0.17    -1.92     9.10      37.16       0.34    -1.58     16
   2       C     0.14     1.50     3.21     -66.95      -0.21     1.29     16
   3       H     0.08     0.78     7.72     -51.93      -0.40     0.38     16
   4       C     0.14     1.06     2.84     -66.09      -0.19     0.87     16
   5       H     0.12     1.03     7.26     -51.93      -0.38     0.65     16
   6       N    -0.70    -2.47     5.18     -52.03      -0.27    -2.74     16
   7       C     0.47     2.38     7.15     -10.99      -0.08     2.30     16
   8       O    -0.45    -4.71    12.11       5.56       0.07    -4.64     16
   9       C     0.36     0.83     5.47      36.01       0.20     1.02     16
  10       F     0.00     0.01    16.66       2.25       0.04     0.04     16
  11       F    -0.07    -0.90    13.71       2.25       0.03    -0.87     16
  12       F    -0.20    -2.33    15.88       2.25       0.04    -2.30     16
  13       F    -0.20    -2.62    13.71       2.25       0.03    -2.58     16
  14       F    -0.29    -3.43    15.87       2.25       0.04    -3.39     16
  15       C    -0.15    -1.23     6.77     -24.58      -0.17    -1.40     16
  16       C     0.11     1.38     6.04      -2.35      -0.01     1.37     16
  17       N    -0.62    -9.65     3.07    -163.98      -0.50   -10.16     16
  18       C     0.62    13.92     7.64     -12.48      -0.10    13.83     16
  19       O    -0.50   -12.82    14.79     -13.01      -0.19   -13.01     16
  20       C    -0.05    -1.24     6.62     -83.92      -0.56    -1.80     16
  21       N    -0.49   -10.37     8.03      24.01       0.19   -10.17     16
  22       S     0.39     8.14    24.20    -107.50      -2.60     5.54     16
  23       N    -0.60   -16.50    12.18      28.50       0.35   -16.16     16
  24       C     0.38    11.52     8.19     -17.49      -0.14    11.38     16
  25       O    -0.66   -23.14    17.64     -37.40      -0.66   -23.80     16
  26       H     0.08     1.23     6.91     -51.93      -0.36     0.87     16
  27       H     0.06     0.54     8.14     -51.93      -0.42     0.12     16
  28       H     0.06     0.73     8.14     -51.93      -0.42     0.31     16
  29       H     0.41    -0.07     8.37     -40.82      -0.34    -0.41     16
  30       H     0.18    -0.42     7.65     -51.93      -0.40    -0.82     16
  31       H     0.18    -0.47     7.65     -51.92      -0.40    -0.87     16
  32       H     0.09     0.72     8.14     -51.93      -0.42     0.30     16
  33       H     0.08     0.60     8.14     -51.93      -0.42     0.18     16
  34       H     0.07     0.87     8.14     -51.93      -0.42     0.45     16
  35       H     0.11     1.56     6.02     -51.93      -0.31     1.24     16
 Total:         -1.00   -45.49   328.33                 -4.12   -49.62