REAL300008322758.mol2 35                                                        
   1       O    -0.69   -23.33    16.87     -20.61      -0.35   -23.68     16
   2       C     0.52    15.88     7.95      34.15       0.27    16.15     16
   3       O    -0.69   -22.91    17.41     -20.60      -0.36   -23.27     16
   4       C    -0.19    -4.19     5.87    -103.27      -0.61    -4.80     16
   5       C    -0.14    -2.67     9.43     -36.54      -0.34    -3.02     16
   6       C    -0.10    -1.31     6.28     -28.18      -0.18    -1.48     16
   7       C     0.12     1.21     6.46      -3.56      -0.02     1.19     16
   8       N    -0.99   -12.21     3.29    -114.76      -0.38   -12.59     16
   9       S     2.69    28.11     5.75    -107.50      -0.62    27.49     16
  10       O    -0.93   -12.76    15.95     -57.17      -0.91   -13.67     16
  11       O    -0.94   -10.52    16.03     -57.17      -0.92   -11.43     16
  12       C    -0.67    -4.51     5.97     -39.58      -0.24    -4.74     16
  13       C     0.03     0.16     9.52     -39.59      -0.38    -0.22     16
  14       C    -0.13    -0.75     8.62     -39.59      -0.34    -1.09     16
  15       C     0.42     3.58     4.82     -39.58      -0.19     3.39     16
  16       F    -0.13    -2.30    16.66       2.25       0.04    -2.26     16
  17       F    -0.16    -2.39    15.31       2.25       0.03    -2.35     16
  18       F    -0.17    -2.47    15.32       2.25       0.03    -2.44     16
  19       F    -0.17    -2.45    15.32       2.25       0.03    -2.41     16
  20       F    -0.17    -2.43    15.31       2.25       0.03    -2.40     16
  21       C    -0.13    -0.85     8.62     -39.58      -0.34    -1.19     16
  22       C     0.04     0.24     9.52     -39.58      -0.38    -0.14     16
  23       C     0.17     2.88     6.00      -5.04      -0.03     2.85     16
  24       H     0.12     2.59     7.17     -52.48      -0.38     2.22     16
  25       H     0.08     0.95     8.14     -51.93      -0.42     0.53     16
  26       H     0.08     0.86     8.14     -51.93      -0.42     0.43     16
  27       H     0.09     0.63     7.12     -51.93      -0.37     0.26     16
  28       H     0.08     0.69     8.14     -51.93      -0.42     0.27     16
  29       H     0.19     0.33     7.62     -52.48      -0.40    -0.07     16
  30       H     0.19     0.80     7.40     -52.48      -0.39     0.41     16
  31       H     0.20     1.04     7.40     -52.49      -0.39     0.66     16
  32       H     0.20     0.88     7.61     -52.49      -0.40     0.48     16
  33       H     0.08     1.22     8.14     -51.93      -0.42     0.80     16
  34       H     0.11     1.95     6.95     -51.93      -0.36     1.59     16
 Total:         -1.00   -44.04   326.12                 -5.59   -49.62