REAL300008021428.mol2 34                                                        
   1       O    -0.69   -22.47    18.00     -20.23      -0.36   -22.84     16
   2       C     0.50    13.85     7.32      36.00       0.26    14.12     16
   3       O    -0.69   -19.23    14.54     -20.23      -0.29   -19.52     16
   4       C    -0.19    -3.83     4.18     -90.96      -0.38    -4.21     16
   5       H     0.09     1.76     8.14     -51.93      -0.42     1.33     16
   6       C    -0.12    -2.02     7.46     -25.92      -0.19    -2.21     16
   7       C    -0.15    -2.01     7.88     -25.83      -0.20    -2.21     16
   8       C     0.14     2.22     4.29     -67.03      -0.29     1.93     16
   9       H     0.08     1.00     7.71     -51.93      -0.40     0.60     16
  10       N    -1.06   -16.82     4.73      -4.12      -0.02   -16.84     16
  11       S     2.69    35.74     5.69    -107.50      -0.61    35.12     16
  12       O    -0.95   -14.54    17.28     -57.17      -0.99   -15.53     16
  13       O    -0.95   -12.89    17.05     -57.17      -0.97   -13.86     16
  14       C    -0.67    -7.56     5.95     -39.58      -0.24    -7.80     16
  15       C     0.03     0.29     9.18     -39.58      -0.36    -0.07     16
  16       C    -0.13    -1.31     8.62     -39.58      -0.34    -1.65     16
  17       C     0.41     5.30     4.82     -39.58      -0.19     5.11     16
  18       F    -0.14    -2.95    16.66       2.25       0.04    -2.91     16
  19       F    -0.15    -2.79    15.31       2.25       0.03    -2.76     16
  20       F    -0.18    -3.02    15.32       2.25       0.03    -2.99     16
  21       F    -0.17    -2.99    15.32       2.25       0.03    -2.95     16
  22       F    -0.16    -2.90    15.31       2.25       0.03    -2.87     16
  23       C    -0.13    -1.44     8.62     -39.58      -0.34    -1.78     16
  24       C     0.05     0.58     9.52     -39.58      -0.38     0.20     16
  25       H     0.08     1.50     8.03     -51.93      -0.42     1.09     16
  26       H     0.06     0.93     8.14     -51.93      -0.42     0.51     16
  27       H     0.07     0.90     8.14     -51.93      -0.42     0.48     16
  28       H     0.09     0.97     8.14     -51.93      -0.42     0.55     16
  29       H     0.44     7.95     6.47     -34.47      -0.22     7.73     16
  30       H     0.19     1.12     7.62     -52.49      -0.40     0.72     16
  31       H     0.19     1.51     7.40     -52.49      -0.39     1.12     16
  32       H     0.19     1.84     7.40     -52.49      -0.39     1.45     16
  33       H     0.20     1.82     7.62     -52.48      -0.40     1.42     16
 Total:         -1.00   -39.48   317.86                 -5.24   -44.72