REAL300017179638.mol2 37                                                        
   1       O    -0.19     3.70    15.81      19.05       0.30     4.00     16
   2       C     0.53   -13.27     7.84      71.24       0.56   -12.71     16
   3       O    -0.21     4.00    18.00      19.06       0.34     4.34     16
   4       C     0.00    -0.04     5.30      29.85       0.16     0.12     16
   5       C     0.10    -2.25     2.68      45.34       0.12    -2.13     16
   6       H     0.17    -4.02     7.86      -2.38      -0.02    -4.04     16
   7       C    -0.14     3.41     5.56      31.78       0.18     3.59     16
   8       C    -0.14     2.34     7.08      31.99       0.23     2.57     16
   9       C     0.07    -1.18     7.05      86.79       0.61    -0.57     16
  10       N    -0.86    12.91     3.41    -483.51      -1.65    11.27     16
  11       S     2.74    -5.07     5.87     -56.49      -0.33    -5.40     16
  12       O    -0.91     3.84    14.42    -128.00      -1.85     1.99     16
  13       O    -0.91    -3.18    16.95    -128.00      -2.17    -5.34     16
  14       C    -0.71   -12.96     5.97      22.27       0.13   -12.83     16
  15       C     0.04     1.22     9.52      22.27       0.21     1.44     16
  16       C    -0.18   -10.57     8.62      22.27       0.19   -10.38     16
  17       C     0.48    35.91     4.82      22.27       0.11    36.02     16
  18       F    -0.35   -42.88    16.66      44.97       0.75   -42.13     16
  19       F    -0.58   -62.90    15.31      44.97       0.69   -62.22     16
  20       F    -0.58   -65.30    15.32      44.97       0.69   -64.61     16
  21       F    -0.59   -65.45    15.32      44.97       0.69   -64.76     16
  22       F    -0.57   -62.70    15.31      44.97       0.69   -62.01     16
  23       C    -0.18   -10.19     8.62      22.27       0.19   -10.00     16
  24       C     0.05     1.22     9.52      22.27       0.21     1.43     16
  25       H     0.22    -6.49     5.59      -2.38      -0.01    -6.50     16
  26       H     0.25   -10.49     7.98      -2.38      -0.02   -10.51     16
  27       H     0.15    -4.96     7.74      -2.39      -0.02    -4.97     16
  28       H     0.12    -2.79     7.77      -2.39      -0.02    -2.81     16
  29       H     0.12    -2.41     8.14      -2.39      -0.02    -2.43     16
  30       H     0.07    -0.67     8.14      -2.39      -0.02    -0.69     16
  31       H     0.16    -3.92     8.14      -2.38      -0.02    -3.94     16
  32       H     0.11    -1.36     8.14      -2.39      -0.02    -1.38     16
  33       H     0.22     3.36     7.62      -2.91      -0.02     3.34     16
  34       H     0.13     8.33     7.40      -2.91      -0.02     8.31     16
  35       H     0.13     8.27     7.40      -2.91      -0.02     8.25     16
  36       H     0.23     2.10     7.61      -2.91      -0.02     2.07     16
 Total:         -1.00  -304.41   334.50                  0.80  -303.61