REAL300031848055.mol2 36                                                        
   1       O    -0.49    -8.85     9.45      -3.04      -0.03    -8.88     16
   2       C     0.46     3.17     5.83      87.66       0.51     3.68     16
   3       C     0.38     0.25     5.47      71.24       0.39     0.63     16
   4       F    -0.24    -9.07    16.66      44.97       0.75    -8.32     16
   5       F    -0.19    -4.20    15.87      44.97       0.71    -3.49     16
   6       F    -0.13    -3.53    13.72      44.97       0.62    -2.91     16
   7       F    -0.19    -4.46    15.88      44.97       0.71    -3.75     16
   8       F    -0.13    -3.21    13.70      44.97       0.62    -2.59     16
   9       N    -0.69    -2.22     3.18    -442.52      -1.41    -3.63     16
  10       C     0.19     1.84     2.57      44.99       0.12     1.96     16
  11       C     0.12     1.88     5.19      86.38       0.45     2.33     16
  12       N    -0.70   -16.80     5.38    -466.29      -2.51   -19.31     16
  13       C     0.61    24.59     7.81      86.69       0.68    25.26     16
  14       O    -0.55   -27.47    15.72      13.48       0.21   -27.26     16
  15       C    -0.08    -3.82     6.69      41.98       0.28    -3.53     16
  16       N    -0.47   -17.40    10.83     -77.90      -0.84   -18.24     16
  17       S     0.51    19.07    24.20     -56.49      -1.37    17.70     16
  18       N    -0.65   -34.72    12.18    -177.21      -2.16   -36.88     16
  19       C     0.35    20.95     8.19      85.12       0.70    21.65     16
  20       O    -0.73   -52.71    17.64     -73.73      -1.30   -54.01     16
  21       C    -0.17    -1.56     5.74     -10.80      -0.06    -1.62     16
  22       C    -0.16    -1.12     9.68      30.59       0.30    -0.82     16
  23       C    -0.20    -2.49     9.85      30.59       0.30    -2.19     16
  24       H     0.25    -3.05     7.65      -2.38      -0.02    -3.06     16
  25       H     0.24    -2.32     7.65      -2.39      -0.02    -2.34     16
  26       H     0.43    -1.62     8.60     -92.71      -0.80    -2.42     16
  27       H     0.10     1.34     7.58      -2.38      -0.02     1.32     16
  28       H     0.09     1.35     8.14      -2.39      -0.02     1.33     16
  29       H     0.08     1.58     8.14      -2.39      -0.02     1.56     16
  30       H     0.41     8.07     7.63     -92.71      -0.71     7.36     16
  31       H     0.13     1.12     8.07      -2.39      -0.02     1.10     16
  32       H     0.11     0.65     8.14      -2.39      -0.02     0.63     16
  33       H     0.11     0.28     6.40      -2.39      -0.02     0.26     16
  34       H     0.09     1.67     5.26      -2.39      -0.01     1.66     16
  35       H     0.09     1.20     8.14      -2.39      -0.02     1.18     16
 Total:         -1.00  -111.62   332.82                 -4.02  -115.65