REAL300007725752.mol2 33                                                        
   1       C    -0.17    -2.41    10.24      71.98       0.74    -1.67     16
   2       C     0.10     2.70     6.39      86.38       0.55     3.25     16
   3       N    -0.97   -33.82     2.27    -519.83      -1.18   -35.01     16
   4       C     0.08     3.51     5.91      85.63       0.51     4.01     16
   5       C     0.45    29.17     8.12      71.24       0.58    29.75     16
   6       O    -0.72   -49.80    17.32      19.05       0.33   -49.47     16
   7       O    -0.75   -54.34    18.00      19.03       0.34   -54.00     16
   8       S     2.69    86.81     5.64     -56.49      -0.32    86.49     16
   9       O    -0.99   -43.78    16.25    -128.00      -2.08   -45.86     16
  10       O    -0.94   -29.34    15.84    -128.00      -2.03   -31.37     16
  11       C    -0.62   -11.45     5.97      22.27       0.13   -11.32     16
  12       C     0.01     0.04     8.40      22.27       0.19     0.22     16
  13       C    -0.03     0.07    10.05      22.27       0.22     0.29     16
  14       C    -0.05    -0.29     8.62      22.27       0.19    -0.09     16
  15       C     0.32     6.29     4.82      22.27       0.11     6.40     16
  16       F    -0.21    -8.84    16.66      44.97       0.75    -8.09     16
  17       F    -0.15    -4.57    15.31      44.97       0.69    -3.88     16
  18       F    -0.17    -6.36    15.31      44.97       0.69    -5.68     16
  19       F    -0.15    -4.31    15.32      44.97       0.69    -3.63     16
  20       F    -0.17    -6.69    15.31      44.97       0.69    -6.00     16
  21       C    -0.04    -0.82     8.10      22.27       0.18    -0.64     16
  22       H     0.10     0.93     8.14      -2.39      -0.02     0.91     16
  23       H     0.06     0.94     8.14      -2.39      -0.02     0.92     16
  24       H     0.08     0.58     6.98      -2.39      -0.02     0.56     16
  25       H     0.06     2.05     8.11      -2.39      -0.02     2.03     16
  26       H     0.10     2.42     6.91      -2.39      -0.02     2.41     16
  27       H     0.09     3.73     7.61      -2.39      -0.02     3.71     16
  28       H     0.12     4.30     8.11      -2.39      -0.02     4.28     16
  29       H     0.22    -0.33     7.62      -2.91      -0.02    -0.35     16
  30       H     0.26    -3.96     8.06      -2.91      -0.02    -3.98     16
  31       H     0.22     0.29     7.40      -2.91      -0.02     0.27     16
  32       H     0.16     4.77     6.96      -2.91      -0.02     4.75     16
 Total:         -1.00  -112.53   313.90                  1.75  -110.79