REAL300032859055.mol2 36                                                        
   1       O    -0.44    -5.49    10.47       5.55       0.06    -5.43     16
   2       C     0.47     3.38     6.66     -10.99      -0.07     3.30     16
   3       C     0.35     1.62     5.47      36.00       0.20     1.82     16
   4       F     0.00    -0.03    16.66       2.25       0.04     0.01     16
   5       F    -0.30    -4.06    15.87       2.25       0.04    -4.03     16
   6       F    -0.18    -2.91    13.71       2.25       0.03    -2.88     16
   7       F    -0.19    -2.79    15.88       2.25       0.04    -2.76     16
   8       F    -0.08    -1.13    13.71       2.25       0.03    -1.09     16
   9       N    -0.69    -3.23     4.38     -46.85      -0.21    -3.43     16
  10       C     0.14     1.03     0.67    -131.01      -0.09     0.94     16
  11       C     0.12     1.56     5.09      -4.04      -0.02     1.54     16
  12       N    -0.73   -11.37     5.44     -61.36      -0.33   -11.70     16
  13       C     0.60    13.99     7.81     -12.48      -0.10    13.89     16
  14       O    -0.50   -13.74    15.72     -13.01      -0.20   -13.94     16
  15       C    -0.05    -1.29     6.69     -83.92      -0.56    -1.85     16
  16       N    -0.50   -10.61    10.83      24.03       0.26   -10.35     16
  17       S     0.39     8.22    24.20    -107.50      -2.60     5.62     16
  18       N    -0.60   -16.86    12.18      28.50       0.35   -16.51     16
  19       C     0.38    11.80     8.19     -17.49      -0.14    11.66     16
  20       O    -0.66   -23.81    17.64     -37.39      -0.66   -24.47     16
  21       C    -0.13    -0.65     7.39     -25.92      -0.19    -0.84     16
  22       C    -0.14    -0.61     7.99     -25.92      -0.21    -0.82     16
  23       C    -0.13    -0.90     6.88     -25.92      -0.18    -1.08     16
  24       H     0.18    -0.19     7.65     -51.93      -0.40    -0.58     16
  25       H     0.18     0.15     7.65     -51.93      -0.40    -0.25     16
  26       H     0.41     0.21     8.75     -40.82      -0.36    -0.15     16
  27       H     0.08     1.09     7.95     -51.93      -0.41     0.67     16
  28       H     0.08     1.20     7.63     -51.93      -0.40     0.81     16
  29       H     0.40     5.05     7.45     -40.82      -0.30     4.75     16
  30       H     0.11     0.62     7.97     -51.93      -0.41     0.20     16
  31       H     0.08     0.28     8.13     -51.93      -0.42    -0.14     16
  32       H     0.08     0.32     8.14     -51.93      -0.42    -0.11     16
  33       H     0.08     0.26     8.14     -51.93      -0.42    -0.16     16
  34       H     0.08     0.69     6.74     -51.93      -0.35     0.34     16
  35       H     0.10     0.71     8.10     -51.93      -0.42     0.29     16
 Total:         -1.00   -47.49   333.83                 -4.22   -51.71