REAL300017211003.mol2 35                                                        
   1       O    -0.69   -22.81    18.00     -20.23      -0.36   -23.17     16
   2       C     0.49    14.43     6.40      36.00       0.23    14.66     16
   3       O    -0.67   -21.67    15.53     -26.83      -0.42   -22.09     16
   4       C     0.08     1.60     3.55     -68.11      -0.24     1.35     16
   5       H     0.07     1.29     8.14     -51.93      -0.42     0.87     16
   6       C    -0.09    -1.65     6.20     -24.89      -0.15    -1.80     16
   7       C     0.09     1.14     4.43     -24.58      -0.11     1.03     16
   8       H     0.07     0.72     8.14     -51.93      -0.42     0.29     16
   9       O    -0.55    -6.67    13.47     -35.23      -0.47    -7.15     16
  10       C     0.09     1.28     6.73      -2.36      -0.02     1.26     16
  11       N    -0.97   -16.79     3.08    -105.40      -0.32   -17.12     16
  12       S     2.71    44.64     5.61    -107.50      -0.60    44.03     16
  13       O    -0.89   -19.17    14.57     -65.74      -0.96   -20.12     16
  14       O    -0.95   -16.06    16.88     -57.17      -0.96   -17.03     16
  15       C    -0.68    -7.24     5.97     -39.59      -0.24    -7.48     16
  16       C     0.03     0.22     9.52     -39.59      -0.38    -0.15     16
  17       C    -0.13    -1.06     8.62     -39.58      -0.34    -1.40     16
  18       C     0.41     4.32     4.82     -39.58      -0.19     4.13     16
  19       F    -0.01    -0.20    16.66       2.25       0.04    -0.16     16
  20       F    -0.18    -2.78    15.31       2.25       0.03    -2.75     16
  21       F    -0.12    -1.76    15.32       2.25       0.03    -1.73     16
  22       F    -0.22    -3.44    15.32       2.25       0.03    -3.40     16
  23       F    -0.24    -3.70    15.31       2.25       0.03    -3.67     16
  24       C    -0.13    -1.19     8.62     -39.58      -0.34    -1.54     16
  25       C     0.04     0.35     9.52     -39.58      -0.38    -0.03     16
  26       H     0.09     1.77     7.84     -51.92      -0.41     1.36     16
  27       H     0.08     1.32     8.14     -51.93      -0.42     0.89     16
  28       H     0.38     2.46     9.12      45.56       0.42     2.87     16
  29       H     0.08     1.28     8.14     -51.93      -0.42     0.86     16
  30       H     0.07     0.63     8.14     -51.93      -0.42     0.21     16
  31       H     0.19     0.95     7.62     -52.48      -0.40     0.55     16
  32       H     0.19     1.14     7.40     -52.49      -0.39     0.75     16
  33       H     0.19     1.49     7.40     -52.49      -0.39     1.10     16
  34       H     0.19     1.71     7.62     -52.48      -0.40     1.31     16
 Total:         -1.00   -43.48   327.14                 -4.84   -48.31