REAL300007576564.mol2 33                                                        
   1       C    -0.19     7.63     8.80      71.98       0.63     8.27     16
   2       C     0.08    -2.99     2.80     -11.54      -0.03    -3.03     16
   3       C     0.05    -1.14     5.59      86.38       0.48    -0.65     16
   4       N    -1.07    19.51     5.53    -187.50      -1.04    18.48     16
   5       S     2.77     4.65     5.74     -56.49      -0.32     4.33     16
   6       O    -0.95    -7.73    17.28    -128.00      -2.21    -9.95     16
   7       O    -0.94    -4.33    16.76    -128.00      -2.15    -6.47     16
   8       C    -0.71   -14.66     5.95      22.27       0.13   -14.53     16
   9       C     0.04     1.08     9.52      22.27       0.21     1.29     16
  10       C    -0.19   -10.56     8.62      22.27       0.19   -10.37     16
  11       C     0.47    35.67     4.82      22.27       0.11    35.78     16
  12       F    -0.28   -34.13    16.66      44.97       0.75   -33.38     16
  13       F    -0.58   -64.43    15.32      44.97       0.69   -63.74     16
  14       F    -0.60   -67.36    15.31      44.97       0.69   -66.67     16
  15       F    -0.60   -67.71    15.31      44.97       0.69   -67.02     16
  16       F    -0.59   -64.33    15.32      44.97       0.69   -63.64     16
  17       C    -0.19   -11.08     8.62      22.27       0.19   -10.89     16
  18       C     0.04     1.31     9.52      22.27       0.21     1.52     16
  19       C     0.54   -15.00     6.99      71.24       0.50   -14.51     16
  20       O    -0.15     3.04    18.00      19.04       0.34     3.38     16
  21       O    -0.15     3.50    17.28      19.02       0.33     3.83     16
  22       H     0.23    -9.56     7.54      -2.39      -0.02    -9.58     16
  23       H     0.15    -6.31     8.14      -2.39      -0.02    -6.33     16
  24       H     0.13    -4.81     7.87      -2.39      -0.02    -4.82     16
  25       H     0.27   -12.08     8.14      -2.39      -0.02   -12.10     16
  26       H     0.16    -4.11     7.75      -2.38      -0.02    -4.12     16
  27       H     0.12    -2.58     8.14      -2.39      -0.02    -2.60     16
  28       H     0.45   -12.53     8.37     -96.75      -0.81   -13.34     16
  29       H     0.23     2.85     7.62      -2.91      -0.02     2.83     16
  30       H     0.13     8.34     7.40      -2.91      -0.02     8.32     16
  31       H     0.12     8.29     7.40      -2.91      -0.02     8.27     16
  32       H     0.22     3.96     7.62      -2.91      -0.02     3.94     16
 Total:         -1.00  -317.59   315.73                  0.08  -317.52