REAL300017445864.mol2 35                                                        
   1       O    -0.68   -21.26    17.06     -20.23      -0.35   -21.61     16
   2       C     0.50    13.78     6.43      36.00       0.23    14.02     16
   3       O    -0.65   -20.24    15.21     -27.60      -0.42   -20.66     16
   4       C     0.07     1.43     1.28    -132.16      -0.17     1.26     16
   5       N    -1.07   -16.97     5.38       0.26       0.00   -16.97     16
   6       S     2.69    42.41     5.72    -107.50      -0.61    41.79     16
   7       O    -0.96   -14.86    17.28     -57.17      -0.99   -15.85     16
   8       O    -0.88   -18.84    13.75     -66.69      -0.92   -19.76     16
   9       C    -0.67    -7.90     4.38     -39.58      -0.17    -8.08     16
  10       C     0.04     0.49     7.24     -39.58      -0.29     0.21     16
  11       C    -0.12    -1.37     8.62     -39.58      -0.34    -1.71     16
  12       C     0.37     4.34     4.82     -39.58      -0.19     4.15     16
  13       F    -0.11    -2.12    16.66       2.25       0.04    -2.08     16
  14       F    -0.18    -2.98    15.31       2.25       0.03    -2.94     16
  15       F    -0.06    -0.97    15.32       2.25       0.03    -0.93     16
  16       F    -0.13    -1.93    15.32       2.25       0.03    -1.89     16
  17       F    -0.26    -4.79    15.31       2.25       0.03    -4.76     16
  18       C    -0.13    -1.16     8.62     -39.58      -0.34    -1.50     16
  19       C     0.03     0.23     9.52     -39.58      -0.38    -0.15     16
  20       C    -0.13    -2.30     6.60     -25.92      -0.17    -2.47     16
  21       C     0.08     1.10     5.12     -25.93      -0.13     0.97     16
  22       O    -0.56    -7.98    13.67     -35.23      -0.48    -8.46     16
  23       C    -0.14    -2.31     7.17     -25.92      -0.19    -2.49     16
  24       H     0.41     5.10     8.76     -34.47      -0.30     4.80     16
  25       H     0.20     2.53     7.62     -52.49      -0.40     2.13     16
  26       H     0.19     1.88     7.40     -52.49      -0.39     1.49     16
  27       H     0.18     1.27     7.40     -52.48      -0.39     0.88     16
  28       H     0.19     1.02     7.61     -52.49      -0.40     0.62     16
  29       H     0.06     0.82     4.11     -51.93      -0.21     0.61     16
  30       H     0.12     2.38     7.44     -51.93      -0.39     1.99     16
  31       H     0.08     0.85     8.14     -51.93      -0.42     0.43     16
  32       H     0.37     3.38     9.12      45.56       0.42     3.79     16
  33       H     0.10     1.99     8.09     -51.93      -0.42     1.57     16
  34       H     0.07     0.96     8.09     -51.93      -0.42     0.54     16
 Total:         -1.00   -42.01   319.58                 -4.24   -46.24