REAL300033198711.mol2 33                                                        
   1       C    -0.17    -3.28     9.12      71.98       0.66    -2.63     16
   2       C     0.13     1.90     1.23       5.36       0.01     1.91     16
   3       N    -0.69   -18.17     5.34    -427.58      -2.28   -20.45     16
   4       C     0.48    26.00     6.92      87.66       0.61    26.61     16
   5       O    -0.47   -32.66    10.07      -3.04      -0.03   -32.70     16
   6       C     0.41    28.35     5.47      71.23       0.39    28.74     16
   7       F    -0.37   -46.72    16.66      44.97       0.75   -45.97     16
   8       F    -0.68   -78.46    15.88      44.97       0.71   -77.75     16
   9       F    -0.47   -50.49    13.71      44.97       0.62   -49.87     16
  10       F    -0.64   -71.86    15.87      44.97       0.71   -71.15     16
  11       F    -0.51   -55.64    13.71      44.97       0.62   -55.02     16
  12       C     0.09     1.36     8.19      86.48       0.71     2.07     16
  13       N    -0.58    -1.10     3.61    -839.82      -3.03    -4.12     16
  14       C     0.56     0.22     8.04      86.69       0.70     0.92     16
  15       O    -0.51    -6.94    16.45      13.47       0.22    -6.72     16
  16       C     0.31    -4.76     6.68      41.98       0.28    -4.48     16
  17       N    -0.62    16.68     9.33     -77.91      -0.73    15.96     16
  18       S     1.49   -56.31    24.20     -56.49      -1.37   -57.68     16
  19       N    -0.51    12.27    12.18    -177.22      -2.16    10.11     16
  20       C     0.37    -5.30     8.19      85.12       0.70    -4.60     16
  21       O    -0.18     0.15    17.64     -73.74      -1.30    -1.15     16
  22       C     0.13    -0.88     7.01      86.48       0.61    -0.28     16
  23       H     0.11     1.13     7.94      -2.39      -0.02     1.11     16
  24       H     0.03     1.08     5.55      -2.39      -0.01     1.07     16
  25       H     0.09     1.32     8.14      -2.39      -0.02     1.30     16
  26       H     0.42     5.60     8.63     -92.71      -0.80     4.80     16
  27       H     0.13     7.70     7.65      -2.39      -0.02     7.68     16
  28       H     0.14     8.17     7.65      -2.39      -0.02     8.15     16
  29       H     0.05     1.52     8.14      -2.39      -0.02     1.50     16
  30       H     0.15     1.38     7.96      -2.39      -0.02     1.36     16
  31       H     0.18    -2.92     8.10      -2.38      -0.02    -2.94     16
  32       H     0.15    -2.40     7.28      -2.38      -0.02    -2.42     16
 Total:         -1.00  -323.06   312.51                 -3.58  -326.63