REAL300025569601.mol2 30                                                        
   1       O    -0.59   -18.66    18.07     -19.17      -0.35   -19.01     15
   2       C     0.48    13.90     9.62      53.44       0.51    14.41     15
   3       N    -0.63   -16.22    10.58     -14.53      -0.15   -16.37     15
   4       C     0.16     3.59     8.01    -155.64      -1.25     2.35     15
   5       C     0.22     3.13     6.84      -5.20      -0.04     3.09     15
   6       N    -1.09   -13.28     5.97     -11.66      -0.07   -13.35     15
   7       S     2.70    25.42     5.74    -107.50      -0.62    24.80     15
   8       O    -0.94   -10.76    17.28     -57.17      -0.99   -11.75     15
   9       O    -0.94   -10.77    16.76     -57.17      -0.96   -11.73     15
  10       C    -0.67    -4.26     5.95     -39.58      -0.24    -4.49     15
  11       C     0.03     0.17     9.52     -39.58      -0.38    -0.21     15
  12       C    -0.13    -0.80     8.62     -39.58      -0.34    -1.14     15
  13       C     0.41     3.54     4.82     -39.59      -0.19     3.35     15
  14       F    -0.01    -0.09    16.66       2.25       0.04    -0.05     15
  15       F    -0.22    -3.16    15.31       2.25       0.03    -3.12     15
  16       F    -0.24    -3.37    15.31       2.25       0.03    -3.33     15
  17       F    -0.18    -2.57    15.32       2.25       0.03    -2.54     15
  18       F    -0.12    -1.56    15.31       2.25       0.03    -1.52     15
  19       C    -0.13    -0.84     8.62     -39.58      -0.34    -1.18     15
  20       C     0.04     0.19     9.52     -39.58      -0.38    -0.18     15
  21       N    -0.47   -11.54    12.33      32.12       0.40   -11.14     15
  22       O    -0.06    -1.71    11.35      -7.38      -0.08    -1.79     15
  23       H     0.10     1.16     7.75     -51.93      -0.40     0.75     15
  24       H     0.08     0.83     8.14     -51.93      -0.42     0.41     15
  25       H     0.44     6.02     7.92     -34.47      -0.27     5.74     15
  26       H     0.19     0.51     7.62     -52.48      -0.40     0.11     15
  27       H     0.19     0.90     7.40     -52.49      -0.39     0.51     15
  28       H     0.19     0.99     7.40     -52.48      -0.39     0.60     15
  29       H     0.19     0.57     7.62     -52.48      -0.40     0.17     15
 Total:         -1.00   -38.65   301.35                 -3.41   -42.06