REAL300031684976.mol2 36                                                        
   1       C     0.04     0.01     9.13      59.85       0.55     0.55     16
   2       N    -0.59    -2.39     2.88    -171.84      -0.50    -2.89     16
   3       C     0.47     2.59     7.00     -10.99      -0.08     2.51     16
   4       O    -0.45    -4.94    11.83       5.55       0.07    -4.87     16
   5       C     0.39     0.97     4.02      36.01       0.14     1.12     16
   6       F    -0.14    -2.47    16.66       2.25       0.04    -2.44     16
   7       F    -0.13    -1.72    13.71       2.25       0.03    -1.69     16
   8       F    -0.21    -2.57    15.88       2.25       0.04    -2.53     16
   9       F    -0.12    -1.69    13.71       2.25       0.03    -1.66     16
  10       F    -0.22    -2.58    15.87       2.25       0.04    -2.54     16
  11       C     0.13     0.97     3.36     -66.10      -0.22     0.75     16
  12       C    -0.14    -1.01     6.61     -24.58      -0.16    -1.17     16
  13       C     0.11     1.31     6.04      -2.53      -0.02     1.29     16
  14       N    -0.62    -9.71     3.33    -171.75      -0.57   -10.28     16
  15       C     0.62    14.01     7.84     -12.48      -0.10    13.91     16
  16       O    -0.50   -13.22    16.05     -13.00      -0.21   -13.43     16
  17       C    -0.05    -1.22     6.62     -83.91      -0.56    -1.77     16
  18       N    -0.49   -10.20     8.03      24.03       0.19   -10.00     16
  19       S     0.39     8.02    24.20    -107.50      -2.60     5.42     16
  20       N    -0.60   -16.39    12.18      28.50       0.35   -16.04     16
  21       C     0.38    11.50     8.19     -17.48      -0.14    11.35     16
  22       O    -0.66   -23.20    17.64     -37.37      -0.66   -23.85     16
  23       C     0.10     1.18     6.50      -3.06      -0.02     1.16     16
  24       H     0.08    -0.02     7.89     -51.93      -0.41    -0.43     16
  25       H     0.10     0.11     6.08     -51.93      -0.32    -0.21     16
  26       H     0.08    -0.31     6.44     -51.93      -0.33    -0.65     16
  27       H     0.19    -0.46     7.61     -51.93      -0.40    -0.86     16
  28       H     0.19    -0.55     6.91     -51.93      -0.36    -0.91     16
  29       H     0.13     1.11     6.99     -51.93      -0.36     0.75     16
  30       H     0.09     0.52     8.14     -51.93      -0.42     0.10     16
  31       H     0.08     0.45     6.09     -51.93      -0.32     0.13     16
  32       H     0.07     0.84     8.14     -51.93      -0.42     0.41     16
  33       H     0.11     1.47     6.02     -51.93      -0.31     1.16     16
  34       H     0.07     0.76     6.94     -51.93      -0.36     0.39     16
  35       H     0.08     0.97     8.14     -51.93      -0.42     0.55     16
 Total:         -1.00   -47.86   322.67                 -3.93   -51.80