REAL300032965753.mol2 35                                                        
   1       C    -0.16    -1.66     9.48      37.16       0.35    -1.31     16
   2       C     0.15     1.61     2.57     -67.93      -0.17     1.44     16
   3       H     0.09     1.20     7.58     -51.93      -0.39     0.80     16
   4       C    -0.14    -0.72     4.87     -26.73      -0.13    -0.85     16
   5       C     0.12     0.80     5.56      -4.04      -0.02     0.78     16
   6       N    -0.71    -2.03     5.56     -60.29      -0.33    -2.37     16
   7       C     0.46     2.73     7.15     -10.98      -0.08     2.65     16
   8       O    -0.45    -5.63    12.46       5.56       0.07    -5.57     16
   9       C     0.36     0.96     5.47      36.01       0.20     1.15     16
  10       F     0.00     0.06    16.66       2.25       0.04     0.10     16
  11       F    -0.19    -2.83    13.71       2.25       0.03    -2.80     16
  12       F    -0.30    -3.67    15.87       2.25       0.04    -3.64     16
  13       F    -0.07    -0.98    13.71       2.25       0.03    -0.95     16
  14       F    -0.20    -2.50    15.87       2.25       0.04    -2.46     16
  15       N    -0.73   -11.17     4.53     -54.85      -0.25   -11.42     16
  16       C     0.61    13.83     7.77     -12.48      -0.10    13.73     16
  17       O    -0.50   -13.31    15.38     -13.00      -0.20   -13.51     16
  18       C    -0.05    -1.40     6.69     -83.92      -0.56    -1.96     16
  19       N    -0.50   -11.13    10.83      24.02       0.26   -10.87     16
  20       S     0.39     8.67    24.20    -107.50      -2.60     6.07     16
  21       N    -0.60   -17.24    12.18      28.50       0.35   -16.89     16
  22       C     0.38    11.92     8.19     -17.49      -0.14    11.78     16
  23       O    -0.66   -23.85    17.64     -37.38      -0.66   -24.51     16
  24       H     0.07     0.95     8.14     -51.93      -0.42     0.53     16
  25       H     0.06     0.51     8.14     -51.93      -0.42     0.09     16
  26       H     0.06     0.47     8.14     -51.93      -0.42     0.05     16
  27       H     0.09     0.23     8.14     -51.93      -0.42    -0.19     16
  28       H     0.08     0.30     8.14     -51.93      -0.42    -0.12     16
  29       H     0.09     0.87     7.75     -51.93      -0.40     0.47     16
  30       H     0.08     0.72     8.14     -51.93      -0.42     0.30     16
  31       H     0.41    -0.84     8.47     -40.82      -0.35    -1.18     16
  32       H     0.18    -0.47     7.65     -51.93      -0.40    -0.87     16
  33       H     0.18    -0.39     7.65     -51.93      -0.40    -0.79     16
  34       H     0.40     5.45     8.09     -40.82      -0.33     5.12     16
 Total:         -1.00   -48.54   332.40                 -3.65   -52.19