REAL300008233061.mol2 34                                                        
   1       O    -0.30    -1.57    18.00      19.05       0.34    -1.23     16
   2       C     0.54    -0.47     6.40      71.23       0.46    -0.02     16
   3       O    -0.31    -1.37    15.53      25.35       0.39    -0.98     16
   4       C     0.19    -2.27     3.55      44.59       0.16    -2.11     16
   5       H     0.32    -4.56     8.14      -2.39      -0.02    -4.58     16
   6       C    -0.16     3.56     6.28      31.78       0.20     3.76     16
   7       C     0.11    -2.41     4.86      31.99       0.16    -2.25     16
   8       H     0.17    -4.41     8.14      -2.39      -0.02    -4.43     16
   9       F    -0.17     2.80    17.24      44.97       0.78     3.57     16
  10       C     0.01    -0.22     6.81      86.79       0.59     0.37     16
  11       N    -0.74     7.88     3.08    -487.38      -1.50     6.38     16
  12       S     2.68    15.02     5.61     -56.49      -0.32    14.70     16
  13       O    -0.91   -16.74    14.57    -119.81      -1.75   -18.48     16
  14       O    -0.85    -1.76    16.88    -128.00      -2.16    -3.92     16
  15       C    -0.65   -12.46     5.97      22.27       0.13   -12.32     16
  16       C     0.00    -0.04     9.52      22.26       0.21     0.17     16
  17       C    -0.07    -1.44    10.05      22.27       0.22    -1.22     16
  18       C    -0.10    -4.73     8.62      22.27       0.19    -4.54     16
  19       C     0.40    26.56     4.82      22.27       0.11    26.66     16
  20       F    -0.35   -41.35    16.66      44.97       0.75   -40.60     16
  21       F    -0.59   -63.23    15.32      44.97       0.69   -62.54     16
  22       F    -0.56   -54.83    15.30      44.97       0.69   -54.14     16
  23       F    -0.56   -56.92    15.31      44.97       0.69   -56.23     16
  24       F    -0.59   -62.45    15.32      44.97       0.69   -61.76     16
  25       C    -0.06    -2.58     8.10      22.27       0.18    -2.40     16
  26       H     0.18    -4.68     7.84      -2.38      -0.02    -4.70     16
  27       H     0.21    -5.51     8.14      -2.38      -0.02    -5.53     16
  28       H     0.20    -5.62     8.14      -2.39      -0.02    -5.64     16
  29       H     0.21    -6.27     8.14      -2.39      -0.02    -6.29     16
  30       H     0.25    -2.08     7.62      -2.91      -0.02    -2.10     16
  31       H     0.23     1.80     8.06      -2.91      -0.02     1.78     16
  32       H     0.13     7.43     7.40      -2.91      -0.02     7.40     16
  33       H     0.14     7.37     6.96      -2.91      -0.02     7.35     16
 Total:         -1.00  -287.60   322.38                  1.70  -285.91