REAL300017157807.mol2 37                                                        
   1       C    -0.14    -2.06     9.29      37.16       0.35    -1.71     16
   2       C    -0.08    -1.33     3.07     -88.47      -0.27    -1.60     16
   3       H     0.08     1.41     8.05     -51.93      -0.42     0.99     16
   4       C     0.12     1.51     6.45      -2.53      -0.02     1.49     16
   5       N    -1.00   -13.17     3.70    -111.40      -0.41   -13.59     16
   6       S     2.71    29.61     5.93    -107.50      -0.64    28.97     16
   7       O    -0.93   -12.31    16.86     -57.17      -0.96   -13.27     16
   8       O    -0.94   -11.02    16.88     -57.17      -0.96   -11.98     16
   9       C    -0.68    -5.67     5.97     -39.58      -0.24    -5.90     16
  10       C     0.03     0.23     9.52     -39.58      -0.38    -0.15     16
  11       C    -0.13    -1.00     8.62     -39.58      -0.34    -1.34     16
  12       C     0.42     4.40     4.82     -39.59      -0.19     4.20     16
  13       F    -0.13    -2.55    16.66       2.25       0.04    -2.51     16
  14       F    -0.16    -2.60    15.31       2.25       0.03    -2.57     16
  15       F    -0.18    -2.75    15.31       2.25       0.03    -2.72     16
  16       F    -0.17    -2.73    15.31       2.25       0.03    -2.70     16
  17       F    -0.17    -2.71    15.31       2.25       0.03    -2.67     16
  18       C    -0.13    -1.10     8.62     -39.59      -0.34    -1.44     16
  19       C     0.04     0.34     9.52     -39.58      -0.38    -0.03     16
  20       C     0.13     2.21     6.41      -3.04      -0.02     2.19     16
  21       C    -0.16    -3.26     2.88     -89.92      -0.26    -3.52     16
  22       H     0.08     1.57     8.04     -51.93      -0.42     1.16     16
  23       C     0.50    14.40     7.38      36.00       0.27    14.66     16
  24       O    -0.69   -21.74    16.32     -20.23      -0.33   -22.07     16
  25       O    -0.69   -22.13    17.50     -20.23      -0.35   -22.48     16
  26       H     0.08     1.41     7.65     -51.93      -0.40     1.02     16
  27       H     0.05     0.58     8.14     -51.93      -0.42     0.16     16
  28       H     0.05     0.71     8.13     -51.93      -0.42     0.28     16
  29       H     0.08     0.85     8.03     -51.93      -0.42     0.43     16
  30       H     0.07     0.64     8.14     -51.93      -0.42     0.21     16
  31       H     0.19     0.68     7.62     -52.49      -0.40     0.28     16
  32       H     0.19     1.13     7.40     -52.49      -0.39     0.74     16
  33       H     0.19     1.41     7.40     -52.49      -0.39     1.03     16
  34       H     0.20     1.20     7.62     -52.49      -0.40     0.80     16
  35       H     0.07     1.11     8.14     -51.93      -0.42     0.69     16
  36       H     0.09     1.66     6.82     -51.92      -0.35     1.30     16
 Total:         -1.00   -41.07   338.84                 -5.47   -46.54