REAL300010938701.mol2 35                                                        
   1       O    -0.68   -22.68    18.00     -20.23      -0.36   -23.04     16
   2       C     0.55    16.49     8.17      36.00       0.29    16.78     16
   3       O    -0.68   -22.56    18.00     -20.23      -0.36   -22.93     16
   4       C    -0.14    -3.05     3.44    -172.24      -0.59    -3.64     16
   5       C    -0.09    -1.49     7.84     -25.97      -0.20    -1.69     16
   6       C     0.06     0.80     4.33    -147.17      -0.64     0.16     16
   7       N    -1.05    -9.53     6.19     -12.72      -0.08    -9.61     16
   8       S     2.70    23.72     5.74    -107.50      -0.62    23.11     16
   9       O    -0.94    -9.04    17.28     -57.17      -0.99   -10.03     16
  10       O    -0.92   -10.94    16.84     -57.17      -0.96   -11.91     16
  11       C    -0.67    -4.75     5.86     -39.58      -0.23    -4.99     16
  12       C     0.04     0.32     7.38     -39.58      -0.29     0.03     16
  13       C    -0.13    -1.05     8.62     -39.58      -0.34    -1.39     16
  14       C     0.42     4.07     4.82     -39.58      -0.19     3.88     16
  15       F    -0.13    -2.45    16.66       2.25       0.04    -2.41     16
  16       F    -0.17    -2.57    15.32       2.25       0.03    -2.54     16
  17       F    -0.17    -2.59    15.30       2.25       0.03    -2.56     16
  18       F    -0.18    -2.71    15.31       2.25       0.03    -2.67     16
  19       F    -0.15    -2.40    15.32       2.25       0.03    -2.37     16
  20       C    -0.13    -0.85     8.62     -39.58      -0.34    -1.20     16
  21       C     0.04     0.19     9.52     -39.59      -0.38    -0.18     16
  22       C    -0.10    -1.80     7.68     -25.48      -0.20    -1.99     16
  23       C    -0.12    -1.92     7.35     -25.95      -0.19    -2.11     16
  24       H     0.08     1.21     7.94     -51.93      -0.41     0.80     16
  25       H     0.08     1.19     7.93     -51.93      -0.41     0.78     16
  26       H     0.42     2.70     8.96     -34.47      -0.31     2.39     16
  27       H     0.20     1.29     6.94     -52.49      -0.36     0.93     16
  28       H     0.19     1.45     7.40     -52.49      -0.39     1.06     16
  29       H     0.19     0.94     7.40     -52.48      -0.39     0.55     16
  30       H     0.19     0.35     7.62     -52.48      -0.40    -0.05     16
  31       H     0.08     1.28     7.95     -51.93      -0.41     0.87     16
  32       H     0.08     1.34     7.93     -51.93      -0.41     0.92     16
  33       H     0.07     0.94     5.28     -51.93      -0.27     0.66     16
  34       H     0.08     1.17     7.93     -51.93      -0.41     0.76     16
 Total:         -1.00   -42.94   326.84                 -5.76   -48.70