REAL300007674045.mol2 35                                                        
   1       O    -0.68   -20.45    17.20     -20.23      -0.35   -20.80     16
   2       C     0.49    13.11     5.90      36.00       0.21    13.32     16
   3       O    -0.64   -19.28    14.80     -27.76      -0.41   -19.69     16
   4       C     0.07     1.36     1.09    -131.40      -0.14     1.21     16
   5       N    -1.07   -17.07     5.24       0.88       0.00   -17.06     16
   6       S     2.69    41.53     5.58    -107.50      -0.60    40.93     16
   7       O    -0.96   -14.99    17.52     -57.17      -1.00   -16.00     16
   8       O    -0.88   -18.16    13.45     -66.87      -0.90   -19.06     16
   9       C    -0.67    -7.37     3.60     -39.58      -0.14    -7.51     16
  10       C     0.04     0.42     7.41     -39.58      -0.29     0.13     16
  11       C    -0.13    -1.27     8.62     -39.59      -0.34    -1.61     16
  12       C     0.42     4.61     4.82     -39.58      -0.19     4.41     16
  13       F    -0.14    -2.66    16.66       2.25       0.04    -2.63     16
  14       F    -0.17    -2.76    15.31       2.25       0.03    -2.73     16
  15       F    -0.17    -2.74    15.31       2.25       0.03    -2.70     16
  16       F    -0.17    -2.79    15.31       2.25       0.03    -2.75     16
  17       F    -0.16    -2.67    15.31       2.25       0.03    -2.63     16
  18       C    -0.13    -1.12     8.62     -39.58      -0.34    -1.46     16
  19       C     0.03     0.26     9.47     -39.58      -0.37    -0.12     16
  20       C    -0.18    -2.78     4.86     -25.16      -0.12    -2.90     16
  21       C     0.05     0.80     7.63      37.93       0.29     1.09     16
  22       O    -0.38    -6.13    11.65     -35.23      -0.41    -6.54     16
  23       C     0.07     1.16     6.85      37.94       0.26     1.42     16
  24       H     0.41     5.34     8.41     -34.46      -0.29     5.05     16
  25       H     0.20     2.07     7.46     -52.49      -0.39     1.68     16
  26       H     0.19     1.59     7.40     -52.49      -0.39     1.20     16
  27       H     0.19     1.27     7.40     -52.48      -0.39     0.88     16
  28       H     0.19     0.96     7.82     -52.49      -0.41     0.55     16
  29       H     0.06     0.80     3.93     -51.93      -0.20     0.60     16
  30       H     0.10     1.71     7.30     -51.93      -0.38     1.34     16
  31       H     0.09     1.03     8.14     -51.93      -0.42     0.61     16
  32       H     0.07     1.01     8.14     -51.93      -0.42     0.58     16
  33       H     0.08     1.51     7.82     -51.93      -0.41     1.11     16
  34       H     0.09     1.37     7.75     -51.93      -0.40     0.97     16
 Total:         -1.00   -40.33   313.79                 -4.05   -44.39