REAL300033193320.mol2 36                                                        
   1       O    -0.45    -5.50    12.22       5.56       0.07    -5.43     16
   2       C     0.47     3.39     7.02     -10.99      -0.08     3.31     16
   3       C     0.39     1.60     3.97      36.00       0.14     1.75     16
   4       F    -0.15    -2.66    16.66       2.25       0.04    -2.63     16
   5       F    -0.21    -2.80    15.87       2.25       0.04    -2.77     16
   6       F    -0.12    -1.83    13.72       2.25       0.03    -1.80     16
   7       F    -0.21    -2.78    15.88       2.25       0.04    -2.75     16
   8       F    -0.12    -1.79    13.70       2.25       0.03    -1.76     16
   9       N    -0.58    -3.76     2.23    -176.86      -0.39    -4.16     16
  10       C     0.11     1.03     5.13      -4.53      -0.02     1.00     16
  11       C    -0.14    -1.59     6.74     -23.11      -0.16    -1.75     16
  12       C     0.11     1.27     4.68      -4.53      -0.02     1.25     16
  13       N    -0.60    -7.93     2.24    -178.11      -0.40    -8.33     16
  14       C     0.61    12.12     7.69     -12.48      -0.10    12.02     16
  15       O    -0.50   -11.58    15.39     -12.84      -0.20   -11.77     16
  16       C    -0.06    -1.28     6.52     -83.92      -0.55    -1.83     16
  17       N    -0.49    -9.38     6.22      24.02       0.15    -9.23     16
  18       S     0.39     7.71    24.20    -107.50      -2.60     5.11     16
  19       N    -0.60   -15.83    12.18      28.49       0.35   -15.48     16
  20       C     0.38    10.98     8.18     -17.49      -0.14    10.84     16
  21       O    -0.66   -22.34    17.65     -37.18      -0.66   -23.00     16
  22       C     0.09     0.63     5.76      -6.05      -0.03     0.59     16
  23       C     0.07     0.31     5.68      -6.05      -0.03     0.28     16
  24       H     0.19    -0.11     7.64     -51.93      -0.40    -0.51     16
  25       H     0.19    -0.22     7.06     -51.93      -0.37    -0.59     16
  26       H     0.08     0.76     7.62     -51.93      -0.40     0.36     16
  27       H     0.09     0.89     7.62     -51.93      -0.40     0.49     16
  28       H     0.08     0.85     8.14     -51.93      -0.42     0.43     16
  29       H     0.09     1.21     6.87     -51.93      -0.36     0.86     16
  30       H     0.06     0.55     7.62     -51.93      -0.40     0.16     16
  31       H     0.11     1.61     5.31     -51.93      -0.28     1.34     16
  32       H     0.08     0.32     7.80     -51.93      -0.40    -0.08     16
  33       H     0.11     0.93     7.37     -51.93      -0.38     0.55     16
  34       H     0.11     0.65     7.80     -51.93      -0.41     0.25     16
  35       H     0.09    -0.11     6.39     -51.93      -0.33    -0.45     16
 Total:         -1.00   -44.68   316.81                 -4.26   -48.94