REAL300007575434.mol2 37                                                        
   1       C     0.02     0.15    10.25     101.05       1.04     1.19     16
   2       O    -0.40    -3.65     5.86     -35.23      -0.21    -3.86     16
   3       C     0.03     0.34     6.28      37.16       0.23     0.58     16
   4       C     0.12     1.73     6.05      -4.04      -0.02     1.70     16
   5       N    -0.95   -16.37     2.22    -115.66      -0.26   -16.63     16
   6       C     0.05     1.06     5.91      -5.19      -0.03     1.03     16
   7       C     0.48    14.24     8.12      36.01       0.29    14.53     16
   8       O    -0.68   -21.95    17.32     -20.22      -0.35   -22.30     16
   9       O    -0.70   -23.21    18.00     -20.23      -0.36   -23.58     16
  10       S     2.70    44.12     5.50    -107.50      -0.59    43.53     16
  11       O    -0.93   -18.68    16.25     -57.17      -0.93   -19.61     16
  12       O    -0.94   -16.32    15.84     -57.17      -0.91   -17.23     16
  13       C    -0.67    -7.44     5.46     -39.58      -0.22    -7.66     16
  14       C     0.08     0.70     5.94     -39.58      -0.24     0.46     16
  15       C    -0.15    -1.29     6.64     -39.58      -0.26    -1.56     16
  16       C     0.41     4.51     4.82     -39.59      -0.19     4.32     16
  17       F    -0.02    -0.32    16.67       2.25       0.04    -0.28     16
  18       F    -0.22    -3.48    15.32       2.25       0.03    -3.44     16
  19       F    -0.24    -3.74    15.31       2.25       0.03    -3.70     16
  20       F    -0.18    -2.96    15.31       2.25       0.03    -2.93     16
  21       F    -0.13    -1.81    15.31       2.25       0.03    -1.77     16
  22       C    -0.14    -1.34     8.62     -39.59      -0.34    -1.68     16
  23       C     0.04     0.34     9.52     -39.58      -0.38    -0.04     16
  24       H     0.04     0.33     8.14     -51.93      -0.42    -0.09     16
  25       H     0.08     0.50     5.72     -51.93      -0.30     0.21     16
  26       H     0.05     0.29     8.14     -51.93      -0.42    -0.13     16
  27       H     0.06     0.58     8.08     -51.93      -0.42     0.16     16
  28       H     0.07     0.50     8.14     -51.93      -0.42     0.08     16
  29       H     0.11     1.62     8.11     -51.93      -0.42     1.20     16
  30       H     0.10     1.35     6.92     -51.92      -0.36     0.99     16
  31       H     0.08     1.44     7.61     -51.93      -0.40     1.05     16
  32       H     0.08     1.37     8.05     -51.93      -0.42     0.95     16
  33       H     0.20     1.49     6.68     -52.49      -0.35     1.14     16
  34       H     0.18     1.24     7.13     -52.49      -0.37     0.87     16
  35       H     0.18     1.51     7.40     -52.48      -0.39     1.12     16
  36       H     0.19     1.54     7.62     -52.49      -0.40     1.14     16
 Total:         -1.00   -41.60   334.26                 -3.60   -45.20