REAL300016115509.mol2 36                                                        
   1       C    -0.13    -2.19     7.80      37.16       0.29    -1.90     16
   2       C    -0.18    -3.67     3.01     -91.77      -0.28    -3.94     16
   3       C     0.13     2.23     4.52      -4.04      -0.02     2.21     16
   4       N    -0.99   -11.89     3.08    -121.76      -0.38   -12.26     16
   5       C     0.08     0.75     9.18      59.84       0.55     1.30     16
   6       S     2.69    30.36     5.66    -107.50      -0.61    29.75     16
   7       O    -0.94   -10.90    16.46     -57.17      -0.94   -11.84     16
   8       O    -0.93   -13.42    15.85     -57.17      -0.91   -14.33     16
   9       C    -0.67    -6.11     5.97     -39.58      -0.24    -6.35     16
  10       C     0.05     0.44     8.25     -39.58      -0.33     0.11     16
  11       C    -0.12    -1.25     8.62     -39.58      -0.34    -1.59     16
  12       C     0.41     4.62     4.82     -39.58      -0.19     4.43     16
  13       F    -0.14    -2.73    16.66       2.25       0.04    -2.69     16
  14       F    -0.17    -2.74    15.31       2.25       0.03    -2.70     16
  15       F    -0.17    -2.79    15.31       2.25       0.03    -2.75     16
  16       F    -0.18    -2.83    15.31       2.25       0.03    -2.80     16
  17       F    -0.14    -2.54    15.32       2.25       0.03    -2.51     16
  18       C    -0.13    -1.03     8.62     -39.58      -0.34    -1.37     16
  19       C     0.03     0.23     9.52     -39.58      -0.38    -0.15     16
  20       C     0.50    14.46     7.39      36.01       0.27    14.73     16
  21       O    -0.69   -22.85    17.73     -20.23      -0.36   -23.21     16
  22       O    -0.69   -22.01    16.82     -20.23      -0.34   -22.35     16
  23       H     0.05     0.84     8.03     -51.93      -0.42     0.42     16
  24       H     0.04     0.54     6.19     -51.93      -0.32     0.22     16
  25       H     0.06     1.15     7.95     -51.92      -0.41     0.74     16
  26       H     0.06     1.03     6.82     -51.93      -0.35     0.68     16
  27       H     0.09     1.56     8.10     -51.93      -0.42     1.14     16
  28       H     0.10     1.86     6.75     -51.93      -0.35     1.51     16
  29       H     0.06     0.50     8.14     -51.93      -0.42     0.07     16
  30       H     0.06     0.39     7.98     -51.93      -0.41    -0.03     16
  31       H     0.09     0.78     5.77     -51.93      -0.30     0.48     16
  32       H     0.20     1.75     7.62     -52.49      -0.40     1.35     16
  33       H     0.19     1.75     7.40     -52.49      -0.39     1.37     16
  34       H     0.19     1.13     7.40     -52.48      -0.39     0.75     16
  35       H     0.19     0.62     7.62     -52.49      -0.40     0.22     16
 Total:         -1.00   -41.97   327.00                 -4.42   -46.39