REAL300032085448.mol2 36                                                        
   1       O    -0.44    -5.89    11.67       5.56       0.06    -5.82     16
   2       C     0.47     3.40     6.91     -10.98      -0.08     3.33     16
   3       C     0.38     1.42     4.56      36.01       0.16     1.58     16
   4       F    -0.13    -2.38    16.66       2.25       0.04    -2.34     16
   5       F    -0.10    -1.65    13.71       2.25       0.03    -1.62     16
   6       F    -0.22    -2.80    15.87       2.25       0.04    -2.77     16
   7       F    -0.21    -2.77    15.88       2.25       0.04    -2.74     16
   8       F    -0.12    -1.84    13.71       2.25       0.03    -1.81     16
   9       N    -0.60    -2.88     3.07    -163.01      -0.50    -3.38     16
  10       C     0.08     0.01     6.65      -2.53      -0.02    -0.01     16
  11       C    -0.13    -0.12     7.09     -24.58      -0.17    -0.29     16
  12       C    -0.13    -0.57     5.98     -24.89      -0.15    -0.72     16
  13       C     0.13     1.00     2.94     -66.95      -0.20     0.81     16
  14       C     0.11     1.44     5.06      -4.04      -0.02     1.42     16
  15       N    -0.73   -11.99     5.39     -61.36      -0.33   -12.32     16
  16       C     0.61    14.46     7.81     -12.48      -0.10    14.36     16
  17       O    -0.50   -14.04    15.72     -13.01      -0.20   -14.25     16
  18       C    -0.05    -1.34     6.69     -83.92      -0.56    -1.90     16
  19       N    -0.50   -11.06    10.83      24.03       0.26   -10.80     16
  20       S     0.39     8.53    24.20    -107.50      -2.60     5.93     16
  21       N    -0.60   -17.18    12.18      28.50       0.35   -16.83     16
  22       C     0.38    12.01     8.19     -17.49      -0.14    11.86     16
  23       O    -0.66   -24.09    17.64     -37.37      -0.66   -24.75     16
  24       H     0.19    -0.24     7.65     -51.93      -0.40    -0.64     16
  25       H     0.18    -0.37     7.28     -51.93      -0.38    -0.75     16
  26       H     0.08    -0.29     7.52     -51.93      -0.39    -0.68     16
  27       H     0.09    -0.10     8.14     -51.93      -0.42    -0.52     16
  28       H     0.08     0.06     8.14     -51.93      -0.42    -0.37     16
  29       H     0.09    -0.02     8.14     -51.93      -0.42    -0.45     16
  30       H     0.10     0.39     8.14     -51.93      -0.42    -0.03     16
  31       H     0.09     0.47     7.79     -51.93      -0.40     0.07     16
  32       H     0.10     0.80     8.14     -51.93      -0.42     0.37     16
  33       H     0.07     0.85     8.07     -51.93      -0.42     0.43     16
  34       H     0.08     1.34     6.96     -51.92      -0.36     0.98     16
  35       H     0.40     5.64     7.67     -40.82      -0.31     5.33     16
 Total:         -1.00   -49.81   332.03                 -4.50   -54.31