REAL300018723298.mol2 34                                                        
   1       C    -0.10    -3.86     8.30      37.16       0.31    -3.56     16
   2       C    -0.13    -5.50     0.86    -156.81      -0.13    -5.64     16
   3       C    -0.10    -3.86     8.29      37.16       0.31    -3.56     16
   4       C     0.50    25.02     6.71      36.01       0.24    25.26     16
   5       O    -0.66   -35.55    15.07     -27.99      -0.42   -35.97     16
   6       O    -0.72   -36.35    17.67     -20.23      -0.36   -36.71     16
   7       C     0.54    24.52     6.46     -10.98      -0.07    24.45     16
   8       O    -0.57   -28.94    13.93     -19.53      -0.27   -29.21     16
   9       N    -1.11   -44.22    10.75      31.22       0.34   -43.88     16
  10       S     2.60    94.15     4.87    -107.50      -0.52    93.62     16
  11       O    -1.01   -38.86    17.22     -57.54      -0.99   -39.86     16
  12       O    -1.01   -38.87    17.23     -57.55      -0.99   -39.86     16
  13       C    -0.60   -16.30     5.97     -39.58      -0.24   -16.53     16
  14       C     0.03     0.79     9.52     -39.58      -0.38     0.41     16
  15       C    -0.13    -2.86     8.62     -39.58      -0.34    -3.20     16
  16       C     0.39     8.80     4.82     -39.58      -0.19     8.61     16
  17       F    -0.17    -4.69    16.66       2.25       0.04    -4.65     16
  18       F    -0.16    -4.17    15.30       2.25       0.03    -4.14     16
  19       F    -0.17    -4.38    15.32       2.25       0.03    -4.34     16
  20       F    -0.17    -4.32    15.31       2.25       0.03    -4.29     16
  21       F    -0.16    -4.22    15.31       2.25       0.03    -4.18     16
  22       C    -0.13    -2.86     8.62     -39.58      -0.34    -3.20     16
  23       C     0.03     0.78     9.52     -39.58      -0.38     0.40     16
  24       H     0.05     1.84     8.06     -51.93      -0.42     1.42     16
  25       H     0.03     1.38     8.14     -51.93      -0.42     0.96     16
  26       H     0.04     1.67     8.09     -51.93      -0.42     1.25     16
  27       H     0.04     1.67     8.09     -51.93      -0.42     1.25     16
  28       H     0.03     1.38     8.14     -51.93      -0.42     0.96     16
  29       H     0.05     1.84     8.06     -51.93      -0.42     1.42     16
  30       H     0.19     4.30     7.62     -52.48      -0.40     3.90     16
  31       H     0.18     3.42     7.40     -52.49      -0.39     3.03     16
  32       H     0.18     3.40     7.40     -52.49      -0.39     3.02     16
  33       H     0.19     4.30     7.62     -52.49      -0.40     3.90     16
 Total:         -2.00  -100.53   330.95                 -3.37  -103.90