REAL300007722956.mol2 37                                                        
   1       C    -0.20    -2.09    14.32      29.01       0.42    -1.68     16
   2       C    -0.14    -1.63     9.52     -36.03      -0.34    -1.97     16
   3       C    -0.10    -1.19     5.54     -27.88      -0.15    -1.34     16
   4       C    -0.10    -1.67     4.78     -26.72      -0.13    -1.80     16
   5       C     0.08     1.56     2.64     -69.08      -0.18     1.37     16
   6       N    -1.07   -17.16     4.43      -5.88      -0.03   -17.19     16
   7       S     2.69    39.39     5.65    -107.50      -0.61    38.79     16
   8       O    -0.96   -14.42    17.28     -57.17      -0.99   -15.40     16
   9       O    -0.92   -17.69    17.05     -57.17      -0.97   -18.67     16
  10       C    -0.67    -6.74     5.82     -39.58      -0.23    -6.97     16
  11       C     0.03     0.32     8.89     -39.58      -0.35    -0.03     16
  12       C    -0.13    -1.16     8.62     -39.58      -0.34    -1.50     16
  13       C     0.41     4.34     4.82     -39.59      -0.19     4.15     16
  14       F    -0.01    -0.16    16.65       2.25       0.04    -0.12     16
  15       F    -0.23    -3.48    15.31       2.25       0.03    -3.45     16
  16       F    -0.24    -3.74    15.31       2.25       0.03    -3.70     16
  17       F    -0.18    -2.82    15.30       2.25       0.03    -2.78     16
  18       F    -0.12    -1.73    15.32       2.25       0.03    -1.70     16
  19       C    -0.13    -1.08     8.62     -39.58      -0.34    -1.42     16
  20       C     0.03     0.25     9.52     -39.58      -0.38    -0.13     16
  21       C     0.49    13.92     7.36      36.00       0.26    14.18     16
  22       O    -0.69   -22.22    18.00     -20.23      -0.36   -22.58     16
  23       O    -0.67   -21.49    17.36     -20.22      -0.35   -21.84     16
  24       H     0.09     0.88     7.84     -52.48      -0.41     0.46     16
  25       H     0.09     0.85     8.06     -52.49      -0.42     0.43     16
  26       H     0.11     1.19     8.06     -52.49      -0.42     0.76     16
  27       H     0.07     0.76     8.14     -51.93      -0.42     0.34     16
  28       H     0.06     0.67     7.40     -51.93      -0.38     0.28     16
  29       H     0.07     1.14     8.14     -51.93      -0.42     0.71     16
  30       H     0.08     1.45     8.14     -51.93      -0.42     1.03     16
  31       H     0.08     1.25     7.21     -51.93      -0.37     0.87     16
  32       H     0.42     5.89     8.84     -34.47      -0.30     5.59     16
  33       H     0.19     1.66     7.62     -52.49      -0.40     1.26     16
  34       H     0.19     1.43     7.40     -52.48      -0.39     1.04     16
  35       H     0.19     1.24     7.40     -52.48      -0.39     0.85     16
  36       H     0.19     0.91     7.62     -52.49      -0.40     0.51     16
 Total:         -1.00   -41.39   349.99                 -4.99   -46.37