REAL300007562066.mol2 34                                                        
   1       O    -0.69   -40.48    14.11      19.05       0.27   -40.21     16
   2       C     0.46    27.20     6.73      71.23       0.48    27.68     16
   3       O    -0.74   -53.15    18.00      19.04       0.34   -52.81     16
   4       C     0.08     3.73     3.31      44.60       0.15     3.88     16
   5       C    -0.11    -3.51     6.47      31.79       0.21    -3.31     16
   6       C    -0.11    -2.24     7.08      31.99       0.23    -2.02     16
   7       C     0.10     2.29     7.10      86.86       0.62     2.91     16
   8       N    -0.98   -33.56     3.09    -488.12      -1.51   -35.06     16
   9       S     2.72    93.09     5.62     -56.49      -0.32    92.77     16
  10       O    -0.99   -44.61    16.86    -128.00      -2.16   -46.77     16
  11       O    -0.93   -26.13    16.61    -128.00      -2.13   -28.25     16
  12       C    -0.63   -19.63     5.14      22.27       0.11   -19.51     16
  13       C     0.01     0.17     9.52      22.27       0.21     0.38     16
  14       C    -0.04    -0.46    10.05      22.27       0.22    -0.24     16
  15       C    -0.05    -1.14     8.62      22.27       0.19    -0.95     16
  16       C     0.31    11.54     4.82      22.27       0.11    11.64     16
  17       F    -0.22   -12.54    16.66      44.97       0.75   -11.79     16
  18       F    -0.16    -6.68    15.31      44.97       0.69    -5.99     16
  19       F    -0.12    -7.44    15.31      44.97       0.69    -6.76     16
  20       F    -0.17    -7.87    15.32      44.97       0.69    -7.18     16
  21       F    -0.19   -10.16    15.31      44.97       0.69    -9.47     16
  22       C     0.01     0.38     5.63      22.27       0.13     0.51     16
  23       H     0.06     2.91     8.14      -2.39      -0.02     2.89     16
  24       H     0.09     2.62     8.14      -2.39      -0.02     2.60     16
  25       H     0.06     2.13     7.84      -2.39      -0.02     2.11     16
  26       H     0.09     1.59     8.14      -2.39      -0.02     1.57     16
  27       H     0.12     1.60     8.14      -2.39      -0.02     1.58     16
  28       H     0.12     1.78     7.78      -2.39      -0.02     1.77     16
  29       H     0.08     1.61     8.14      -2.39      -0.02     1.59     16
  30       H     0.23     1.28     7.62      -2.91      -0.02     1.26     16
  31       H     0.26    -1.19     8.06      -2.91      -0.02    -1.21     16
  32       H     0.21     3.32     7.40      -2.91      -0.02     3.29     16
  33       H     0.13     6.91     6.93      -2.91      -0.02     6.89     16
 Total:         -1.00  -106.64   313.01                  0.43  -106.21