REAL300033231762.mol2 38                                                        
   1       C    -0.16    -1.34     9.19      37.15       0.34    -1.00     16
   2       C     0.14     1.56     2.63     -67.93      -0.18     1.38     16
   3       C    -0.14    -0.89     4.75     -26.73      -0.13    -1.01     16
   4       C     0.12     1.09     5.56      -4.04      -0.02     1.07     16
   5       N    -0.71    -2.93     5.56     -60.30      -0.33    -3.26     16
   6       C     0.46     3.27     7.15     -10.99      -0.08     3.19     16
   7       O    -0.44    -6.48    12.46       5.56       0.07    -6.42     16
   8       C     0.39     1.22     5.47      36.00       0.20     1.41     16
   9       F    -0.14    -2.72    16.66       2.25       0.04    -2.68     16
  10       F    -0.22    -2.97    15.87       2.25       0.04    -2.93     16
  11       F    -0.11    -1.84    13.71       2.25       0.03    -1.81     16
  12       F    -0.22    -2.96    15.87       2.25       0.04    -2.93     16
  13       F    -0.12    -1.89    13.71       2.25       0.03    -1.86     16
  14       N    -0.62    -9.57     2.21    -175.17      -0.39    -9.96     16
  15       C     0.09     1.22     8.22      59.85       0.49     1.71     16
  16       C     0.60    13.79     7.65     -12.48      -0.10    13.70     16
  17       O    -0.50   -13.31    15.08     -12.84      -0.19   -13.51     16
  18       C    -0.05    -1.37     6.45     -83.92      -0.54    -1.91     16
  19       N    -0.49   -10.58     7.65      24.02       0.18   -10.40     16
  20       S     0.38     8.23    24.20    -107.50      -2.60     5.63     16
  21       N    -0.60   -17.17    12.18      28.50       0.35   -16.82     16
  22       C     0.38    11.94     8.18     -17.49      -0.14    11.80     16
  23       O    -0.66   -24.04    17.66     -37.22      -0.66   -24.70     16
  24       H     0.06     0.69     8.14     -51.93      -0.42     0.26     16
  25       H     0.06     0.43     7.67     -51.93      -0.40     0.04     16
  26       H     0.07     0.41     8.14     -51.93      -0.42    -0.02     16
  27       H     0.11     1.44     6.91     -51.93      -0.36     1.08     16
  28       H     0.08     0.28     8.14     -51.93      -0.42    -0.14     16
  29       H     0.08     0.37     6.50     -51.93      -0.34     0.03     16
  30       H     0.08     1.14     7.75     -51.93      -0.40     0.73     16
  31       H     0.09     0.99     8.14     -51.93      -0.42     0.56     16
  32       H     0.41    -0.56     8.47     -40.82      -0.35    -0.91     16
  33       H     0.19    -0.51     7.65     -51.93      -0.40    -0.91     16
  34       H     0.19    -0.46     7.65     -51.93      -0.40    -0.86     16
  35       H     0.05     0.70     8.07     -51.93      -0.42     0.28     16
  36       H     0.09     1.35     5.85     -51.93      -0.30     1.05     16
  37       H     0.05     0.46     6.36     -51.93      -0.33     0.13     16
 Total:         -1.00   -51.02   343.53                 -3.77   -54.79