REAL300017362310.mol2 34                                                        
   1       O    -0.28     3.03    18.00      19.05       0.34     3.37     16
   2       C     0.53    -9.79     7.50      71.23       0.53    -9.25     16
   3       O    -0.21     1.81    14.92      19.04       0.28     2.09     16
   4       C    -0.05     1.83     6.25     -11.54      -0.07     1.75     16
   5       H     0.27   -11.35     8.14      -2.38      -0.02   -11.37     16
   6       C    -0.03     1.29     9.88      30.62       0.30     1.60     16
   7       C    -0.07     2.27     5.90     -10.77      -0.06     2.21     16
   8       H     0.23    -9.54     7.98      -2.39      -0.02    -9.56     16
   9       C     0.08    -1.69     5.07      86.38       0.44    -1.25     16
  10       N    -1.04    14.79     6.00    -187.47      -1.12    13.66     16
  11       S     2.75    12.25     5.74     -56.49      -0.32    11.93     16
  12       O    -0.95   -10.51    17.28    -128.00      -2.21   -12.73     16
  13       O    -0.94    -6.43    16.76    -128.00      -2.15    -8.57     16
  14       C    -0.72   -15.94     5.95      22.27       0.13   -15.81     16
  15       C     0.04     1.06     9.52      22.27       0.21     1.27     16
  16       C    -0.18   -10.53     8.62      22.27       0.19   -10.33     16
  17       C     0.47    36.03     4.82      22.27       0.11    36.14     16
  18       F    -0.28   -33.63    16.66      44.97       0.75   -32.88     16
  19       F    -0.59   -64.87    15.31      44.97       0.69   -64.19     16
  20       F    -0.60   -67.39    15.32      44.97       0.69   -66.70     16
  21       F    -0.59   -67.40    15.32      44.97       0.69   -66.71     16
  22       F    -0.59   -64.42    15.31      44.97       0.69   -63.73     16
  23       C    -0.19   -11.11     8.62      22.27       0.19   -10.92     16
  24       C     0.04     1.36     9.52      22.27       0.21     1.57     16
  25       H     0.21    -9.72     8.14      -2.39      -0.02    -9.74     16
  26       H     0.18    -7.22     8.03      -2.39      -0.02    -7.24     16
  27       H     0.17    -4.01     7.49      -2.38      -0.02    -4.03     16
  28       H     0.18    -2.88     6.42      -2.39      -0.02    -2.90     16
  29       H     0.45   -10.10     8.54     -96.74      -0.83   -10.93     16
  30       H     0.23     3.13     7.62      -2.91      -0.02     3.11     16
  31       H     0.13     8.48     7.40      -2.91      -0.02     8.46     16
  32       H     0.12     8.47     7.40      -2.91      -0.02     8.45     16
  33       H     0.22     4.31     7.62      -2.91      -0.02     4.29     16
 Total:         -1.00  -318.43   323.03                 -0.51  -318.95