REAL300030979958.mol2 36                                                        
   1       C    -0.17    -0.70     9.44      37.16       0.35    -0.35     16
   2       C     0.16     0.74     2.29     -67.93      -0.16     0.59     16
   3       N    -0.70    -1.49     4.94     -53.81      -0.27    -1.75     16
   4       C     0.47     2.10     7.12     -10.99      -0.08     2.02     16
   5       O    -0.45    -4.49    12.13       5.55       0.07    -4.43     16
   6       C     0.36     0.77     5.47      36.01       0.20     0.97     16
   7       F     0.00    -0.02    16.66       2.25       0.04     0.02     16
   8       F    -0.08    -0.94    13.71       2.25       0.03    -0.90     16
   9       F    -0.20    -2.35    15.88       2.25       0.04    -2.31     16
  10       F    -0.29    -3.45    15.87       2.25       0.04    -3.41     16
  11       F    -0.19    -2.60    13.71       2.25       0.03    -2.57     16
  12       C    -0.14    -0.94     3.36     -89.70      -0.30    -1.24     16
  13       C     0.12     1.33     8.30      -2.97      -0.02     1.30     16
  14       N    -0.64   -10.40     3.61    -179.61      -0.65   -11.04     16
  15       C     0.63    14.76     8.04     -12.48      -0.10    14.66     16
  16       O    -0.50   -13.82    16.45     -13.01      -0.21   -14.03     16
  17       C    -0.05    -1.21     6.68     -83.92      -0.56    -1.77     16
  18       N    -0.49   -10.49     9.33      24.03       0.22   -10.27     16
  19       S     0.39     8.14    24.20    -107.50      -2.60     5.54     16
  20       N    -0.60   -16.76    12.18      28.50       0.35   -16.42     16
  21       C     0.38    11.75     8.19     -17.49      -0.14    11.61     16
  22       O    -0.66   -23.67    17.64     -37.37      -0.66   -24.33     16
  23       C     0.12     1.32     7.17      -2.97      -0.02     1.30     16
  24       H     0.08     0.34     8.09     -51.93      -0.42    -0.08     16
  25       H     0.06     0.19     8.14     -51.93      -0.42    -0.23     16
  26       H     0.06     0.36     8.14     -51.93      -0.42    -0.06     16
  27       H     0.10     0.69     7.48     -51.93      -0.39     0.30     16
  28       H     0.41    -0.64     8.60     -40.82      -0.35    -0.99     16
  29       H     0.18    -0.53     7.65     -51.93      -0.40    -0.93     16
  30       H     0.18    -0.37     7.65     -51.93      -0.40    -0.77     16
  31       H     0.11     0.59     8.14     -51.93      -0.42     0.17     16
  32       H     0.09     0.91     8.14     -51.93      -0.42     0.49     16
  33       H     0.08     0.80     8.03     -51.93      -0.42     0.38     16
  34       H     0.08     0.82     8.10     -51.93      -0.42     0.40     16
  35       H     0.09     1.00     7.32     -51.93      -0.38     0.62     16
 Total:         -1.00   -48.25   337.83                 -4.19   -52.44