REAL300007907231.mol2 35                                                        
   1       O    -0.69   -19.90    17.05     -20.23      -0.34   -20.24     16
   2       C     0.50    14.10     5.61      36.00       0.20    14.30     16
   3       O    -0.67   -21.77    17.42     -26.54      -0.46   -22.23     16
   4       C     0.00    -0.06     3.91     -27.31      -0.11    -0.17     16
   5       H     0.07     1.41     8.14     -51.92      -0.42     0.99     16
   6       O    -0.34    -7.45    10.74     -54.74      -0.59    -8.03     16
   7       C     0.04     0.59     7.72      38.21       0.29     0.88     16
   8       C    -0.17    -2.34     6.88     -24.55      -0.17    -2.50     16
   9       C     0.14     2.28     3.55     -66.23      -0.24     2.04     16
  10       H     0.09     1.04     7.35     -51.93      -0.38     0.66     16
  11       N    -1.08   -17.95     4.54      -3.44      -0.02   -17.96     16
  12       S     2.70    36.31     5.67    -107.50      -0.61    35.70     16
  13       O    -0.94   -14.87    17.28     -57.17      -0.99   -15.85     16
  14       O    -0.95   -12.64    17.05     -57.17      -0.97   -13.62     16
  15       C    -0.67    -7.44     5.85     -39.58      -0.23    -7.68     16
  16       C     0.03     0.23     8.93     -39.58      -0.35    -0.13     16
  17       C    -0.13    -1.25     8.62     -39.58      -0.34    -1.59     16
  18       C     0.41     5.04     4.82     -39.58      -0.19     4.85     16
  19       F    -0.02    -0.30    16.66       2.25       0.04    -0.26     16
  20       F    -0.16    -2.91    15.31       2.25       0.03    -2.87     16
  21       F    -0.13    -1.96    15.32       2.25       0.03    -1.92     16
  22       F    -0.23    -3.85    15.32       2.25       0.03    -3.81     16
  23       F    -0.23    -3.96    15.31       2.25       0.03    -3.93     16
  24       C    -0.13    -1.41     8.62     -39.58      -0.34    -1.75     16
  25       C     0.06     0.60     9.52     -39.58      -0.38     0.23     16
  26       H     0.09     1.15     8.14     -51.93      -0.42     0.73     16
  27       H     0.05     0.66     8.14     -51.93      -0.42     0.24     16
  28       H     0.09     1.26     8.07     -51.93      -0.42     0.84     16
  29       H     0.09     0.92     8.14     -51.93      -0.42     0.50     16
  30       H     0.44     8.55     6.91     -34.47      -0.24     8.31     16
  31       H     0.19     1.02     7.62     -52.48      -0.40     0.62     16
  32       H     0.19     1.37     7.40     -52.49      -0.39     0.98     16
  33       H     0.19     1.83     7.40     -52.49      -0.39     1.44     16
  34       H     0.19     1.86     7.61     -52.49      -0.40     1.46     16
 Total:         -1.00   -39.83   326.64                 -5.04   -44.87