REAL300017588443.mol2 35                                                        
   1       O    -0.69   -21.42    17.43     -20.23      -0.35   -21.78     16
   2       C     0.50    13.75     6.44      36.00       0.23    13.98     16
   3       O    -0.68   -20.01    15.76     -20.23      -0.32   -20.33     16
   4       C    -0.19    -3.89     3.61     -89.77      -0.32    -4.22     16
   5       H     0.09     1.78     8.14     -51.92      -0.42     1.36     16
   6       C     0.07     1.25     6.75      38.21       0.26     1.51     16
   7       O    -0.38    -6.13    11.52     -35.23      -0.41    -6.53     16
   8       C     0.03     0.33     7.51      37.76       0.28     0.61     16
   9       C     0.13     2.01     3.45     -66.37      -0.23     1.78     16
  10       H     0.10     1.35     7.58     -51.93      -0.39     0.96     16
  11       N    -1.06   -16.56     3.75      -3.57      -0.01   -16.58     16
  12       S     2.70    35.41     5.72    -107.50      -0.62    34.80     16
  13       O    -0.94   -14.32    17.28     -57.17      -0.99   -15.31     16
  14       O    -0.93   -14.70    16.66     -57.17      -0.95   -15.65     16
  15       C    -0.68    -5.33     5.95     -39.58      -0.24    -5.57     16
  16       C     0.03     0.21     9.52     -39.59      -0.38    -0.17     16
  17       C    -0.13    -0.86     8.62     -39.58      -0.34    -1.20     16
  18       C     0.42     3.74     4.82     -39.59      -0.19     3.55     16
  19       F    -0.13    -2.38    16.66       2.25       0.04    -2.34     16
  20       F    -0.17    -2.49    15.31       2.25       0.03    -2.45     16
  21       F    -0.17    -2.49    15.31       2.25       0.03    -2.46     16
  22       F    -0.17    -2.51    15.31       2.25       0.03    -2.47     16
  23       F    -0.17    -2.46    15.31       2.25       0.03    -2.43     16
  24       C    -0.13    -0.86     8.62     -39.59      -0.34    -1.20     16
  25       C     0.04     0.23     9.52     -39.58      -0.38    -0.14     16
  26       H     0.09     1.66     8.14     -51.93      -0.42     1.24     16
  27       H     0.06     1.18     8.04     -51.93      -0.42     0.76     16
  28       H     0.08     0.79     8.14     -51.93      -0.42     0.36     16
  29       H     0.06     0.63     7.93     -51.93      -0.41     0.22     16
  30       H     0.43     7.40     7.52     -34.47      -0.26     7.14     16
  31       H     0.20     0.78     7.62     -52.48      -0.40     0.38     16
  32       H     0.19     0.98     7.40     -52.49      -0.39     0.59     16
  33       H     0.19     0.99     7.40     -52.48      -0.39     0.60     16
  34       H     0.20     0.74     7.62     -52.49      -0.40     0.34     16
 Total:         -1.00   -41.20   326.37                 -4.52   -45.72