REAL300032929093.mol2 36                                                        
   1       O    -0.49   -37.92    12.13      -3.04      -0.04   -37.96     16
   2       C     0.47    29.22     7.12      87.65       0.62    29.84     16
   3       C     0.40    29.98     5.47      71.23       0.39    30.37     16
   4       F    -0.33   -41.57    16.66      44.97       0.75   -40.82     16
   5       F    -0.66   -76.74    15.88      44.97       0.71   -76.02     16
   6       F    -0.52   -58.54    13.71      44.97       0.62   -57.93     16
   7       F    -0.65   -75.20    15.87      44.97       0.71   -74.49     16
   8       F    -0.51   -57.36    13.71      44.97       0.62   -56.74     16
   9       N    -0.70   -24.02     5.08    -442.15      -2.25   -26.27     16
  10       C     0.13     3.03     2.60      45.07       0.12     3.15     16
  11       H     0.05     1.59     7.58      -2.39      -0.02     1.57     16
  12       C    -0.12    -0.59     5.36      30.62       0.16    -0.43     16
  13       C    -0.13     0.78     6.08      30.67       0.19     0.97     16
  14       C     0.07    -0.76     5.97      86.36       0.52    -0.24     16
  15       N    -0.53    -2.23     2.97    -822.66      -2.45    -4.68     16
  16       C     0.52     2.95     7.65      86.69       0.66     3.62     16
  17       O    -0.52   -11.97    15.18      13.26       0.20   -11.77     16
  18       C     0.31    -3.89     6.50      41.98       0.27    -3.62     16
  19       N    -0.60    16.32     7.48     -77.91      -0.58    15.73     16
  20       S     1.47   -56.33    24.20     -56.49      -1.37   -57.70     16
  21       N    -0.50    11.25    12.18    -177.23      -2.16     9.09     16
  22       C     0.37    -3.93     8.18      85.12       0.70    -3.24     16
  23       O    -0.18    -0.98    17.66     -73.94      -1.31    -2.28     16
  24       C     0.09     1.73     6.02      86.36       0.52     2.25     16
  25       H     0.13     8.84     7.65      -2.39      -0.02     8.82     16
  26       H     0.13     8.84     7.65      -2.38      -0.02     8.82     16
  27       H     0.43     9.45     8.60     -92.71      -0.80     8.65     16
  28       H     0.12    -0.26     8.14      -2.39      -0.02    -0.28     16
  29       H     0.08     0.60     8.14      -2.39      -0.02     0.58     16
  30       H     0.14    -2.03     8.14      -2.38      -0.02    -2.05     16
  31       H     0.06    -0.11     8.14      -2.39      -0.02    -0.13     16
  32       H     0.14    -2.43     8.14      -2.39      -0.02    -2.45     16
  33       H     0.16    -3.35     4.10     -46.18      -0.19    -3.54     16
  34       H     0.05     1.66     7.00      -2.39      -0.02     1.64     16
  35       H     0.13     1.49     8.14      -2.39      -0.02     1.47     16
 Total:         -1.00  -332.49   325.10                 -3.56  -336.05