REAL300033198711.mol2 33                                                        
   1       C    -0.16    -1.03     9.12      37.16       0.34    -0.69     16
   2       C     0.13     1.02     1.23    -134.04      -0.16     0.86     16
   3       N    -0.68    -3.49     5.34     -49.08      -0.26    -3.75     16
   4       C     0.47     2.89     6.92     -10.99      -0.08     2.81     16
   5       O    -0.45    -4.78    10.07       5.55       0.06    -4.73     16
   6       C     0.39     1.34     5.47      36.00       0.20     1.54     16
   7       F    -0.15    -2.66    16.66       2.25       0.04    -2.62     16
   8       F    -0.20    -2.78    15.88       2.25       0.04    -2.74     16
   9       F    -0.13    -1.81    13.71       2.25       0.03    -1.78     16
  10       F    -0.22    -2.79    15.87       2.25       0.04    -2.76     16
  11       F    -0.12    -1.72    13.71       2.25       0.03    -1.69     16
  12       C     0.11     1.23     8.19      -2.98      -0.02     1.21     16
  13       N    -0.65    -9.60     3.61    -179.42      -0.65   -10.25     16
  14       C     0.63    13.80     8.04     -12.48      -0.10    13.70     16
  15       O    -0.49   -13.18    16.45     -13.01      -0.21   -13.39     16
  16       C    -0.05    -1.17     6.68     -83.92      -0.56    -1.73     16
  17       N    -0.50    -9.69     9.33      24.02       0.22    -9.46     16
  18       S     0.39     7.70    24.20    -107.50      -2.60     5.10     16
  19       N    -0.60   -16.01    12.18      28.50       0.35   -15.67     16
  20       C     0.38    11.23     8.19     -17.49      -0.14    11.09     16
  21       O    -0.66   -22.96    17.64     -37.38      -0.66   -23.62     16
  22       C     0.13     1.22     7.01      -2.98      -0.02     1.19     16
  23       H     0.08     0.46     7.94     -51.93      -0.41     0.05     16
  24       H     0.09     0.77     5.55     -51.93      -0.29     0.48     16
  25       H     0.07     0.34     8.14     -51.93      -0.42    -0.08     16
  26       H     0.41     0.96     8.63     -40.82      -0.35     0.61     16
  27       H     0.19    -0.13     7.65     -51.93      -0.40    -0.53     16
  28       H     0.19    -0.42     7.65     -51.93      -0.40    -0.82     16
  29       H     0.09     1.08     8.14     -51.93      -0.42     0.66     16
  30       H     0.10     0.98     7.96     -51.93      -0.41     0.57     16
  31       H     0.10     0.87     8.10     -51.93      -0.42     0.45     16
  32       H     0.10     0.91     7.28     -51.93      -0.38     0.53     16
 Total:         -1.00   -47.43   312.51                 -3.33   -50.76