REAL300032184030.mol2 36                                                        
   1       O    -0.52   -14.82    12.13      -3.02      -0.04   -14.86     16
   2       C     0.45     4.74     7.12      87.66       0.62     5.36     16
   3       C     0.38     0.13     5.47      71.24       0.39     0.52     16
   4       F    -0.24   -10.09    16.66      44.97       0.75    -9.34     16
   5       F    -0.19    -4.45    15.88      44.97       0.71    -3.74     16
   6       F    -0.13    -4.25    13.71      44.97       0.62    -3.64     16
   7       F    -0.18    -4.08    15.87      44.97       0.71    -3.36     16
   8       F    -0.14    -4.75    13.71      44.97       0.62    -4.13     16
   9       N    -0.67    -1.70     5.08    -442.18      -2.25    -3.95     16
  10       C     0.14     2.02     2.60      45.07       0.12     2.13     16
  11       H     0.06     1.46     7.58      -2.39      -0.02     1.44     16
  12       C    -0.11    -0.59     5.35      30.62       0.16    -0.42     16
  13       C    -0.12    -1.63     6.08      30.67       0.19    -1.44     16
  14       C     0.05     1.17     6.27      86.36       0.54     1.71     16
  15       N    -0.59   -19.71     2.97    -822.67      -2.45   -22.16     16
  16       C     0.59    29.83     7.66      86.69       0.66    30.50     16
  17       O    -0.56   -34.72    15.20      13.33       0.20   -34.52     16
  18       C    -0.08    -4.25     6.54      41.98       0.27    -3.97     16
  19       N    -0.45   -18.18     7.41     -77.88      -0.58   -18.75     16
  20       S     0.50    19.95    24.20     -56.49      -1.37    18.58     16
  21       N    -0.64   -36.70    12.18    -177.22      -2.16   -38.86     16
  22       C     0.35    22.87     8.18      85.12       0.70    23.56     16
  23       O    -0.74   -57.83    17.66     -73.94      -1.31   -59.13     16
  24       C     0.10     2.40     5.99      86.36       0.52     2.92     16
  25       H     0.25    -3.24     7.65      -2.39      -0.02    -3.26     16
  26       H     0.26    -3.80     7.65      -2.38      -0.02    -3.82     16
  27       H     0.44    -4.97     8.60     -92.71      -0.80    -5.77     16
  28       H     0.11     0.02     8.14      -2.39      -0.02     0.00     16
  29       H     0.11    -0.15     8.14      -2.39      -0.02    -0.17     16
  30       H     0.04     0.86     8.14      -2.39      -0.02     0.84     16
  31       H     0.12     0.84     8.14      -2.38      -0.02     0.82     16
  32       H     0.14     3.90     3.55     -81.93      -0.29     3.61     16
  33       H     0.09     1.51     8.14      -2.38      -0.02     1.49     16
  34       H     0.11     1.74     8.14      -2.39      -0.02     1.73     16
  35       H     0.05     1.71     7.06      -2.39      -0.02     1.69     16
 Total:         -1.00  -134.79   324.86                 -3.63  -138.42