REAL300007562067.mol2 34                                                        
   1       O    -0.32    -2.61    14.11      19.05       0.27    -2.35     16
   2       C     0.52    -3.08     6.73      71.23       0.48    -2.60     16
   3       O    -0.31     0.15    18.00      19.04       0.34     0.50     16
   4       C     0.18    -4.33     3.31      44.60       0.15    -4.18     16
   5       C    -0.14     4.40     6.47      31.79       0.21     4.60     16
   6       C    -0.11     3.57     7.08      31.99       0.23     3.80     16
   7       C     0.01    -0.38     7.10      86.86       0.62     0.24     16
   8       N    -0.73    13.40     3.09    -488.12      -1.51    11.89     16
   9       S     2.70    -8.04     5.62     -56.49      -0.32    -8.36     16
  10       O    -0.88     0.66    16.86    -128.00      -2.16    -1.50     16
  11       O    -0.86     1.11    16.61    -128.00      -2.13    -1.01     16
  12       C    -0.72   -12.82     5.13      22.27       0.11   -12.70     16
  13       C     0.06     1.53     9.52      22.27       0.21     1.75     16
  14       C    -0.18    -9.88     8.62      22.27       0.19    -9.68     16
  15       C     0.50    36.84     4.82      22.27       0.11    36.95     16
  16       F    -0.33   -40.74    16.66      44.97       0.75   -39.99     16
  17       F    -0.59   -65.19    15.31      44.97       0.69   -64.50     16
  18       F    -0.57   -62.93    15.31      44.97       0.69   -62.24     16
  19       F    -0.58   -65.26    15.31      44.97       0.69   -64.57     16
  20       F    -0.58   -62.52    15.31      44.97       0.69   -61.84     16
  21       C    -0.18   -10.25     8.62      22.27       0.19   -10.06     16
  22       C     0.04     1.30     7.06      22.27       0.16     1.46     16
  23       H     0.35   -13.12     8.14      -2.39      -0.02   -13.14     16
  24       H     0.21    -8.00     8.14      -2.39      -0.02    -8.02     16
  25       H     0.14    -4.06     7.84      -2.39      -0.02    -4.08     16
  26       H     0.14    -5.48     8.14      -2.39      -0.02    -5.50     16
  27       H     0.15    -5.05     8.14      -2.39      -0.02    -5.07     16
  28       H     0.19    -5.73     7.78      -2.39      -0.02    -5.74     16
  29       H     0.18    -4.41     8.14      -2.39      -0.02    -4.43     16
  30       H     0.24     2.13     7.62      -2.91      -0.02     2.10     16
  31       H     0.14     8.63     7.40      -2.91      -0.02     8.60     16
  32       H     0.13     8.39     7.40      -2.91      -0.02     8.37     16
  33       H     0.21     3.38     7.59      -2.91      -0.02     3.36     16
 Total:         -1.00  -308.37   313.02                  0.43  -307.94