REAL300007974551.mol2 35                                                        
   1       O    -0.22     2.75    17.11      19.05       0.33     3.07     16
   2       C     0.53   -12.40     6.89      71.23       0.49   -11.91     16
   3       O    -0.20     4.25    17.38      24.99       0.43     4.69     16
   4       C     0.26    -7.70     1.19     -10.35      -0.01    -7.71     16
   5       O    -0.30    11.51    12.73    -130.67      -1.66     9.85     16
   6       C    -0.12     3.75     6.23      31.99       0.20     3.95     16
   7       C     0.10    -2.22     6.98      86.85       0.61    -1.62     16
   8       N    -1.00    12.04     3.70    -506.42      -1.87    10.17     16
   9       S     2.77    14.54     5.93     -56.49      -0.34    14.21     16
  10       O    -0.94    -8.69    16.86    -128.00      -2.16   -10.84     16
  11       O    -0.93    -8.64    16.88    -128.00      -2.16   -10.80     16
  12       C    -0.71   -15.99     5.97      22.27       0.13   -15.86     16
  13       C     0.04     1.27     9.52      22.27       0.21     1.48     16
  14       C    -0.18   -10.76     8.62      22.27       0.19   -10.57     16
  15       C     0.47    35.94     4.82      22.27       0.11    36.04     16
  16       F    -0.28   -34.06    16.66      44.97       0.75   -33.31     16
  17       F    -0.58   -63.77    15.31      44.97       0.69   -63.09     16
  18       F    -0.60   -67.68    15.31      44.97       0.69   -66.99     16
  19       F    -0.60   -67.53    15.31      44.97       0.69   -66.85     16
  20       F    -0.59   -64.58    15.31      44.97       0.69   -63.89     16
  21       C    -0.18   -10.81     8.62      22.27       0.19   -10.62     16
  22       C     0.04     1.20     9.52      22.27       0.21     1.41     16
  23       C     0.09    -1.77     6.32      86.73       0.55    -1.22     16
  24       H     0.47   -23.53     8.97     -74.06      -0.66   -24.20     16
  25       H     0.21    -9.01     8.14      -2.39      -0.02    -9.03     16
  26       H     0.15    -3.88     7.65      -2.39      -0.02    -3.90     16
  27       H     0.15    -4.35     8.14      -2.39      -0.02    -4.37     16
  28       H     0.14    -2.77     8.14      -2.38      -0.02    -2.79     16
  29       H     0.22     3.64     7.62      -2.91      -0.02     3.62     16
  30       H     0.13     8.52     7.40      -2.91      -0.02     8.49     16
  31       H     0.13     8.39     7.40      -2.91      -0.02     8.37     16
  32       H     0.22     3.72     7.62      -2.91      -0.02     3.70     16
  33       H     0.14    -2.73     7.56      -2.39      -0.02    -2.74     16
  34       H     0.18    -4.36     8.07      -2.38      -0.02    -4.38     16
 Total:         -1.00  -315.71   329.90                 -1.91  -317.62