REAL300017769098.mol2 37                                                        
   1       C    -0.12    -2.02     8.68      37.16       0.32    -1.69     16
   2       C    -0.15    -3.10     1.30    -154.84      -0.20    -3.30     16
   3       C     0.50    15.04     7.15      36.00       0.26    15.30     16
   4       O    -0.70   -23.44    17.52     -20.22      -0.35   -23.79     16
   5       O    -0.69   -22.86    16.81     -20.23      -0.34   -23.20     16
   6       C    -0.13    -2.08     6.98     -25.92      -0.18    -2.27     16
   7       C     0.10     1.28     4.47     -67.12      -0.30     0.98     16
   8       N    -1.08   -10.23     4.80      -4.20      -0.02   -10.25     16
   9       S     2.70    22.32     5.74    -107.50      -0.62    21.70     16
  10       O    -0.95    -9.30    17.28     -57.17      -0.99   -10.28     16
  11       O    -0.94    -9.67    16.81     -57.17      -0.96   -10.63     16
  12       C    -0.67    -4.51     5.61     -39.58      -0.22    -4.73     16
  13       C     0.04     0.25     9.52     -39.58      -0.38    -0.13     16
  14       C    -0.13    -0.94     8.62     -39.58      -0.34    -1.28     16
  15       C     0.42     4.12     4.82     -39.58      -0.19     3.93     16
  16       F    -0.13    -2.55    16.66       2.25       0.04    -2.51     16
  17       F    -0.16    -2.55    15.31       2.25       0.03    -2.52     16
  18       F    -0.17    -2.69    15.32       2.25       0.03    -2.66     16
  19       F    -0.17    -2.67    15.32       2.25       0.03    -2.64     16
  20       F    -0.15    -2.51    15.31       2.25       0.03    -2.48     16
  21       C    -0.13    -0.92     8.62     -39.58      -0.34    -1.27     16
  22       C     0.04     0.23     9.52     -39.58      -0.38    -0.15     16
  23       C    -0.11    -1.76     6.71     -25.92      -0.17    -1.93     16
  24       H     0.04     0.53     5.36     -51.93      -0.28     0.25     16
  25       H     0.06     1.28     7.72     -51.93      -0.40     0.88     16
  26       H     0.05     0.83     8.14     -51.92      -0.42     0.41     16
  27       H     0.09     1.53     8.10     -51.93      -0.42     1.11     16
  28       H     0.06     0.83     7.76     -51.93      -0.40     0.43     16
  29       H     0.10     1.02     7.83     -51.93      -0.41     0.61     16
  30       H     0.42     3.64     6.90     -34.47      -0.24     3.40     16
  31       H     0.19     0.67     7.62     -52.49      -0.40     0.27     16
  32       H     0.19     1.17     7.40     -52.49      -0.39     0.78     16
  33       H     0.19     1.11     7.40     -52.49      -0.39     0.72     16
  34       H     0.19     0.56     7.62     -52.48      -0.40     0.16     16
  35       H     0.07     0.98     8.10     -51.93      -0.42     0.56     16
  36       H     0.11     1.98     7.45     -51.93      -0.39     1.59     16
 Total:         -1.00   -44.43   336.27                 -5.12   -49.55