REAL300008285826.mol2 37                                                        
   1       C    -0.19    -1.03    14.32      29.01       0.42    -0.61     16
   2       C    -0.17    -1.35     9.84     -36.03      -0.35    -1.70     16
   3       C     0.13     1.30     6.12      -5.20      -0.03     1.27     16
   4       N    -0.98   -12.75     2.77    -115.66      -0.32   -13.07     16
   5       C     0.14     2.55     4.63      -4.04      -0.02     2.54     16
   6       C    -0.20    -4.72     6.10     -27.88      -0.17    -4.89     16
   7       C     0.50    15.87     8.05      36.01       0.29    16.16     16
   8       O    -0.70   -23.81    16.88     -20.23      -0.34   -24.15     16
   9       O    -0.70   -25.14    18.00     -20.23      -0.36   -25.51     16
  10       S     2.68    33.28     5.65    -107.50      -0.61    32.68     16
  11       O    -0.92   -15.42    16.25     -57.17      -0.93   -16.35     16
  12       O    -0.94   -11.36    15.84     -57.17      -0.91   -12.27     16
  13       C    -0.63    -5.61     5.97     -39.58      -0.24    -5.85     16
  14       C     0.00    -0.02     9.52     -39.59      -0.38    -0.40     16
  15       C    -0.08    -0.23    10.05     -39.58      -0.40    -0.62     16
  16       C    -0.06    -0.36     8.62     -39.58      -0.34    -0.70     16
  17       C     0.36     3.89     4.82     -39.58      -0.19     3.70     16
  18       F    -0.13    -2.62    16.66       2.25       0.04    -2.58     16
  19       F    -0.19    -3.07    15.31       2.25       0.03    -3.04     16
  20       F    -0.14    -2.59    15.30       2.25       0.03    -2.55     16
  21       F    -0.18    -3.00    15.31       2.25       0.03    -2.97     16
  22       F    -0.16    -2.83    15.32       2.25       0.03    -2.80     16
  23       C    -0.01    -0.15     8.10     -39.58      -0.32    -0.47     16
  24       H     0.10     0.43     8.06     -52.48      -0.42     0.01     16
  25       H     0.10     0.43     7.84     -52.49      -0.41     0.02     16
  26       H     0.12     0.99     8.06     -52.49      -0.42     0.57     16
  27       H     0.10     1.04     8.11     -51.93      -0.42     0.62     16
  28       H     0.10     0.79     6.57     -51.93      -0.34     0.45     16
  29       H     0.09     1.63     7.57     -51.93      -0.39     1.24     16
  30       H     0.09     1.56     8.07     -51.93      -0.42     1.14     16
  31       H     0.06     1.36     8.14     -51.93      -0.42     0.94     16
  32       H     0.07     1.57     8.14     -51.93      -0.42     1.15     16
  33       H     0.18     0.41     7.62     -52.48      -0.40     0.01     16
  34       H     0.19    -0.33     8.06     -52.48      -0.42    -0.76     16
  35       H     0.19     0.83     7.40     -52.49      -0.39     0.44     16
  36       H     0.20     2.48     6.96     -52.48      -0.37     2.11     16
 Total:         -1.00   -45.97   350.03                 -5.00   -50.98