REAL300008156880.mol2 37                                                        
   1       O    -0.66   -20.36    13.05     -27.73      -0.36   -20.72     16
   2       C     0.48    14.13     7.92      36.01       0.29    14.42     16
   3       O    -0.71   -24.38    18.00     -20.23      -0.36   -24.74     16
   4       C    -0.19    -3.99     5.41     -27.89      -0.15    -4.14     16
   5       C     0.20     3.22     2.27     -67.93      -0.15     3.07     16
   6       H     0.10     1.55     7.34     -51.93      -0.38     1.17     16
   7       N    -1.08   -15.84     3.28      -4.89      -0.02   -15.86     16
   8       S     2.68    39.50     5.55    -107.50      -0.60    38.90     16
   9       O    -0.96   -15.21    17.44     -57.17      -1.00   -16.21     16
  10       O    -0.87   -17.26    13.47     -66.84      -0.90   -18.16     16
  11       C    -0.67    -6.60     4.24     -39.58      -0.17    -6.77     16
  12       C     0.03     0.30     8.23     -39.58      -0.33    -0.03     16
  13       C    -0.13    -1.14     8.41     -39.58      -0.33    -1.47     16
  14       C     0.41     4.19     4.82     -39.58      -0.19     4.00     16
  15       F    -0.01    -0.23    16.66       2.25       0.04    -0.19     16
  16       F    -0.24    -3.60    15.31       2.25       0.03    -3.56     16
  17       F    -0.22    -3.43    15.32       2.25       0.03    -3.40     16
  18       F    -0.12    -1.77    15.31       2.25       0.03    -1.73     16
  19       F    -0.18    -2.74    15.31       2.25       0.03    -2.71     16
  20       C    -0.13    -1.03     8.62     -39.58      -0.34    -1.37     16
  21       C     0.03     0.23     8.88     -39.58      -0.35    -0.12     16
  22       C    -0.16    -1.89     5.74     -90.62      -0.52    -2.41     16
  23       C    -0.17    -1.66     9.81     -26.73      -0.26    -1.92     16
  24       C    -0.20    -1.97    10.23     -26.73      -0.27    -2.24     16
  25       H     0.07     1.36     8.14     -51.93      -0.42     0.93     16
  26       H     0.06     1.26     8.14     -51.93      -0.42     0.84     16
  27       H     0.41     5.29     8.34     -34.47      -0.29     5.00     16
  28       H     0.20     1.54     7.50     -52.49      -0.39     1.14     16
  29       H     0.19     1.40     7.40     -52.49      -0.39     1.02     16
  30       H     0.18     1.14     7.40     -52.49      -0.39     0.75     16
  31       H     0.19     0.89     7.76     -52.49      -0.41     0.48     16
  32       H     0.11     1.29     8.07     -51.93      -0.42     0.87     16
  33       H     0.09     0.80     8.14     -51.93      -0.42     0.38     16
  34       H     0.09     0.80     6.57     -51.93      -0.34     0.46     16
  35       H     0.08     0.77     3.12     -51.93      -0.16     0.60     16
  36       H     0.09     0.90     8.14     -51.93      -0.42     0.48     16
 Total:         -1.00   -42.54   329.31                 -5.74   -48.28