REAL300008020257.mol2 34                                                        
   1       O    -0.32    -2.63    14.06      19.05       0.27    -2.36     16
   2       C     0.52    -3.09     6.76      71.23       0.48    -2.61     16
   3       O    -0.31     0.17    18.00      19.04       0.34     0.51     16
   4       C     0.18    -4.35     3.31      44.59       0.15    -4.20     16
   5       H     0.35   -13.13     8.14      -2.39      -0.02   -13.15     16
   6       C    -0.14     4.40     6.47      31.78       0.21     4.60     16
   7       C    -0.11     3.58     7.08      31.99       0.23     3.80     16
   8       C     0.02    -0.40     7.11      86.79       0.62     0.22     16
   9       N    -0.73    13.39     3.10    -487.39      -1.51    11.88     16
  10       S     2.70    -7.90     5.63     -56.49      -0.32    -8.22     16
  11       O    -0.88     0.61    16.88    -128.00      -2.16    -1.55     16
  12       O    -0.86     1.05    16.62    -128.00      -2.13    -1.07     16
  13       C    -0.72   -12.84     5.12      22.27       0.11   -12.72     16
  14       C     0.06     1.54     9.52      22.27       0.21     1.75     16
  15       C    -0.18    -9.88     8.62      22.27       0.19    -9.69     16
  16       C     0.50    36.83     4.82      22.27       0.11    36.94     16
  17       F    -0.33   -40.71    16.66      44.97       0.75   -39.96     16
  18       F    -0.60   -65.64    15.31      44.97       0.69   -64.96     16
  19       F    -0.57   -62.49    15.31      44.97       0.69   -61.81     16
  20       F    -0.58   -64.75    15.31      44.97       0.69   -64.06     16
  21       F    -0.58   -62.97    15.32      44.97       0.69   -62.28     16
  22       C    -0.18   -10.25     8.62      22.27       0.19   -10.06     16
  23       C     0.04     1.31     7.05      22.27       0.16     1.46     16
  24       H     0.21    -8.02     8.14      -2.39      -0.02    -8.04     16
  25       H     0.14    -4.07     7.84      -2.39      -0.02    -4.09     16
  26       H     0.14    -5.47     8.14      -2.39      -0.02    -5.49     16
  27       H     0.15    -5.05     8.14      -2.39      -0.02    -5.07     16
  28       H     0.19    -5.68     7.78      -2.39      -0.02    -5.70     16
  29       H     0.17    -4.38     8.14      -2.39      -0.02    -4.40     16
  30       H     0.24     2.14     7.62      -2.91      -0.02     2.12     16
  31       H     0.14     8.62     7.40      -2.91      -0.02     8.60     16
  32       H     0.13     8.39     7.40      -2.91      -0.02     8.36     16
  33       H     0.21     3.38     7.60      -2.91      -0.02     3.36     16
 Total:         -1.00  -308.30   313.03                  0.43  -307.87