REAL300031121696.mol2 36                                                        
   1       C    -0.18    -1.51     7.93      37.16       0.29    -1.22     16
   2       C     0.14     1.41     3.48     -66.95      -0.23     1.17     16
   3       C     0.14     0.99     3.19     -66.09      -0.21     0.78     16
   4       N    -0.70    -2.16     4.89     -52.03      -0.25    -2.42     16
   5       C     0.46     2.08     7.15     -10.98      -0.08     2.01     16
   6       O    -0.45    -4.53    12.11       5.56       0.07    -4.46     16
   7       C     0.39     0.56     5.47      36.01       0.20     0.76     16
   8       F    -0.14    -2.42    16.66       2.25       0.04    -2.38     16
   9       F    -0.12    -1.62    13.71       2.25       0.03    -1.59     16
  10       F    -0.21    -2.46    15.88       2.25       0.04    -2.42     16
  11       F    -0.12    -1.61    13.71       2.25       0.03    -1.58     16
  12       F    -0.21    -2.48    15.87       2.25       0.04    -2.44     16
  13       C    -0.15    -1.17     6.77     -24.58      -0.17    -1.34     16
  14       C     0.11     1.34     6.03      -2.53      -0.02     1.32     16
  15       N    -0.61    -9.37     3.08    -164.24      -0.51    -9.88     16
  16       C     0.62    13.67     7.62     -12.48      -0.10    13.58     16
  17       O    -0.50   -12.58    14.61     -13.01      -0.19   -12.77     16
  18       C    -0.05    -1.25     6.62     -83.92      -0.56    -1.80     16
  19       N    -0.49   -10.25     8.03      24.03       0.19   -10.06     16
  20       S     0.39     8.10    24.20    -107.50      -2.60     5.50     16
  21       N    -0.60   -16.40    12.18      28.50       0.35   -16.05     16
  22       C     0.38    11.43     8.19     -17.49      -0.14    11.29     16
  23       O    -0.66   -22.98    17.64     -37.37      -0.66   -23.64     16
  24       H     0.06     0.47     8.01     -51.93      -0.42     0.05     16
  25       H     0.06     0.25     6.82     -51.93      -0.35    -0.11     16
  26       H     0.09     1.18     6.74     -51.93      -0.35     0.83     16
  27       H     0.09     0.97     8.14     -51.93      -0.42     0.54     16
  28       H     0.12     0.94     7.55     -51.93      -0.39     0.54     16
  29       H     0.41    -0.05     5.87     -40.82      -0.24    -0.29     16
  30       H     0.19    -0.73     7.65     -51.93      -0.40    -1.13     16
  31       H     0.19    -0.73     7.65     -51.93      -0.40    -1.12     16
  32       H     0.09     0.70     8.14     -51.93      -0.42     0.27     16
  33       H     0.08     0.58     8.14     -51.93      -0.42     0.15     16
  34       H     0.07     0.86     8.14     -51.93      -0.42     0.43     16
  35       H     0.11     1.53     6.02     -51.93      -0.31     1.22     16
 Total:         -1.00   -47.25   323.87                 -4.11   -51.36