REAL300016777566.mol2 35                                                        
   1       O    -0.68   -17.81    14.06     -20.23      -0.28   -18.09     16
   2       C     0.48    12.39     6.76      36.00       0.24    12.63     16
   3       O    -0.67   -20.33    18.00     -20.23      -0.36   -20.70     16
   4       C     0.08     1.50     3.31     -68.10      -0.23     1.28     16
   5       H     0.08     1.62     8.14     -51.93      -0.42     1.19     16
   6       C    -0.10    -1.62     6.20     -24.89      -0.15    -1.78     16
   7       C     0.09     1.20     4.43     -24.58      -0.11     1.10     16
   8       H     0.07     0.78     8.14     -51.93      -0.42     0.36     16
   9       O    -0.55    -6.49    13.47     -35.23      -0.47    -6.96     16
  10       C     0.09     1.14     6.85      -2.36      -0.02     1.13     16
  11       N    -0.97   -16.05     3.10    -105.41      -0.33   -16.38     16
  12       S     2.72    42.90     5.63    -107.50      -0.60    42.29     16
  13       O    -0.94   -17.33    16.88     -57.17      -0.96   -18.30     16
  14       O    -0.95   -14.15    16.62     -57.17      -0.95   -15.10     16
  15       C    -0.66    -9.76     5.12     -39.58      -0.20    -9.96     16
  16       C     0.03     0.38     9.52     -39.59      -0.38     0.00     16
  17       C    -0.14    -1.80     8.62     -39.59      -0.34    -2.14     16
  18       C     0.42     6.64     4.82     -39.58      -0.19     6.45     16
  19       F    -0.15    -3.42    16.66       2.25       0.04    -3.38     16
  20       F    -0.14    -3.04    15.31       2.25       0.03    -3.00     16
  21       F    -0.18    -3.48    15.31       2.25       0.03    -3.44     16
  22       F    -0.17    -3.44    15.31       2.25       0.03    -3.40     16
  23       F    -0.17    -3.38    15.32       2.25       0.03    -3.35     16
  24       C    -0.13    -1.97     8.62     -39.58      -0.34    -2.31     16
  25       C     0.10     1.62     7.05     -39.58      -0.28     1.34     16
  26       H     0.08     1.26     8.14     -51.93      -0.42     0.84     16
  27       H     0.09     1.67     7.84     -51.93      -0.41     1.26     16
  28       H     0.38     2.38     9.12      45.56       0.42     2.79     16
  29       H     0.08     0.82     7.78     -51.93      -0.40     0.42     16
  30       H     0.08     1.02     8.14     -51.93      -0.42     0.60     16
  31       H     0.18     1.44     7.62     -52.49      -0.40     1.04     16
  32       H     0.19     1.88     7.40     -52.48      -0.39     1.49     16
  33       H     0.19     2.67     7.40     -52.49      -0.39     2.29     16
  34       H     0.19     3.13     7.60     -52.49      -0.40     2.73     16
 Total:         -1.00   -37.61   324.29                 -4.56   -42.17