REAL300024348476.mol2 31                                                        
   1       O    -0.49    -5.42    13.31       5.56       0.07    -5.34     16
   2       C     0.54     4.72     7.69     -10.98      -0.08     4.64     16
   3       C    -0.16    -1.75     5.67      36.01       0.20    -1.54     16
   4       S     0.07     1.17    21.45    -107.50      -2.31    -1.13     16
   5       C     0.20     4.81     8.33     -88.19      -0.73     4.07     16
   6       N    -0.40    -9.34    11.98      30.72       0.37    -8.97     16
   7       N    -0.58   -14.96     7.39      27.70       0.20   -14.75     16
   8       C     0.58    17.65     9.41     -86.79      -0.82    16.83     16
   9       O    -0.64   -21.40    18.06       5.07       0.09   -21.30     16
  10       N    -0.65   -19.11    11.63     -16.34      -0.19   -19.30     16
  11       N    -0.67    -3.28     5.34      -9.86      -0.05    -3.33     16
  12       C     0.22     1.04     6.29     -83.69      -0.53     0.51     16
  13       C    -0.11    -0.41     8.70     -39.40      -0.34    -0.75     16
  14       C    -0.04    -0.07    10.04     -39.61      -0.40    -0.47     16
  15       C    -0.13    -0.53     8.62     -39.55      -0.34    -0.87     16
  16       C     0.39     2.89     4.82     -39.61      -0.19     2.70     16
  17       F    -0.14    -2.47    16.66       2.25       0.04    -2.44     16
  18       F    -0.16    -2.22    15.31       2.25       0.03    -2.18     16
  19       F    -0.17    -2.40    15.30       2.25       0.03    -2.37     16
  20       F    -0.17    -2.29    15.31       2.25       0.03    -2.25     16
  21       F    -0.16    -2.30    15.32       2.25       0.03    -2.26     16
  22       C    -0.15    -0.84     8.54     -39.39      -0.34    -1.18     16
  23       H     0.13     1.34     8.14     -51.92      -0.42     0.92     16
  24       H     0.13     1.28     8.14     -51.92      -0.42     0.86     16
  25       H     0.40     8.97     8.96    -182.55      -1.64     7.34     16
  26       H     0.43     0.90     8.82     -40.82      -0.36     0.54     16
  27       H     0.18     0.81     6.24     -52.49      -0.33     0.48     16
  28       H     0.18    -0.28     8.06     -52.49      -0.42    -0.70     16
  29       H     0.18     0.59     7.39     -52.48      -0.39     0.20     16
  30       H     0.18     0.92     7.39     -52.49      -0.39     0.53     16
 Total:         -1.00   -41.97   308.31                 -4.92   -46.89