REAL300007574079.mol2 30                                                        
   1       C     0.09     1.33    10.67      59.85       0.64     1.97     15
   2       N    -0.96   -17.66     2.67    -123.05      -0.33   -17.99     15
   3       C     0.05     1.11     5.88      -5.20      -0.03     1.08     15
   4       C     0.48    15.14     8.12      36.01       0.29    15.43     15
   5       O    -0.68   -23.00    17.32     -20.22      -0.35   -23.35     15
   6       O    -0.69   -24.34    18.00     -20.23      -0.36   -24.70     15
   7       S     2.69    45.49     5.65    -107.50      -0.61    44.89     15
   8       O    -0.92   -19.81    16.25     -57.17      -0.93   -20.73     15
   9       O    -0.94   -15.96    15.89     -57.17      -0.91   -16.87     15
  10       C    -0.63    -7.21     5.97     -39.58      -0.24    -7.44     15
  11       C    -0.01    -0.06     9.52     -39.58      -0.38    -0.43     15
  12       C    -0.09    -0.38    10.05     -39.58      -0.40    -0.78     15
  13       C    -0.06    -0.46     8.62     -39.58      -0.34    -0.80     15
  14       C     0.34     4.03     4.82     -39.58      -0.19     3.84     15
  15       F    -0.01    -0.16    16.67       2.25       0.04    -0.13     15
  16       F    -0.13    -2.00    15.31       2.25       0.03    -1.96     15
  17       F    -0.16    -2.89    15.31       2.25       0.03    -2.86     15
  18       F    -0.25    -4.11    15.32       2.25       0.03    -4.07     15
  19       F    -0.20    -3.67    15.31       2.25       0.03    -3.64     15
  20       C    -0.01    -0.18     8.10     -39.58      -0.32    -0.50     15
  21       H     0.05     0.45     8.14     -51.93      -0.42     0.03     15
  22       H     0.08     1.08     7.02     -51.93      -0.36     0.71     15
  23       H     0.08     1.37     8.07     -51.93      -0.42     0.95     15
  24       H     0.08     1.66     7.61     -51.93      -0.40     1.26     15
  25       H     0.08     1.59     8.11     -51.93      -0.42     1.17     15
  26       H     0.18     0.77     7.62     -52.49      -0.40     0.37     15
  27       H     0.18    -0.05     8.06     -52.49      -0.42    -0.47     15
  28       H     0.18     0.98     7.40     -52.48      -0.39     0.59     15
  29       H     0.19     2.69     6.96     -52.49      -0.37     2.32     15
 Total:         -1.00   -44.24   294.44                 -3.44   -47.68