REAL300033581641.mol2 36                                                        
   1       O    -0.52   -15.19    12.46      -3.03      -0.04   -15.22     16
   2       C     0.46     5.52     7.15      87.66       0.63     6.14     16
   3       C     0.39     0.40     5.47      71.24       0.39     0.79     16
   4       F    -0.24    -9.76    16.66      44.97       0.75    -9.01     16
   5       F    -0.14    -4.77    13.71      44.97       0.62    -4.16     16
   6       F    -0.18    -3.91    15.87      44.97       0.71    -3.19     16
   7       F    -0.13    -4.08    13.71      44.97       0.62    -3.46     16
   8       F    -0.19    -4.44    15.88      44.97       0.71    -3.73     16
   9       N    -0.67    -4.37     5.42    -463.07      -2.51    -6.88     16
  10       C     0.12     2.37     5.09      86.38       0.44     2.81     16
  11       C     0.12     2.15     2.91      45.34       0.13     2.28     16
  12       H     0.09     1.51     8.14      -2.38      -0.02     1.49     16
  13       C    -0.11    -0.52     6.12      31.78       0.19    -0.33     16
  14       C    -0.12    -1.09     7.08      31.99       0.23    -0.86     16
  15       C     0.10     2.14     5.84      86.79       0.51     2.65     16
  16       N    -0.60   -18.34     3.07    -790.96      -2.43   -20.77     16
  17       C     0.61    28.84     7.56      86.69       0.65    29.50     16
  18       O    -0.55   -31.02    14.92      13.46       0.20   -30.82     16
  19       C    -0.08    -4.35     6.62      41.98       0.28    -4.08     16
  20       N    -0.46   -19.02     8.19     -77.91      -0.64   -19.65     16
  21       S     0.50    20.54    24.20     -56.49      -1.37    19.17     16
  22       N    -0.65   -37.11    12.18    -177.23      -2.16   -39.27     16
  23       C     0.35    22.66     8.19      85.12       0.70    23.36     16
  24       O    -0.73   -56.42    17.64     -73.72      -1.30   -57.72     16
  25       H     0.26    -3.79     7.65      -2.39      -0.02    -3.81     16
  26       H     0.25    -2.89     7.65      -2.39      -0.02    -2.91     16
  27       H     0.44    -3.00     8.28     -92.71      -0.77    -3.77     16
  28       H     0.08     1.63     8.01      -2.38      -0.02     1.61     16
  29       H     0.04     1.25     6.88      -2.39      -0.02     1.23     16
  30       H     0.13    -0.60     8.14      -2.39      -0.02    -0.62     16
  31       H     0.10     0.24     7.76      -2.39      -0.02     0.22     16
  32       H     0.08     0.72     8.14      -2.39      -0.02     0.70     16
  33       H     0.11     0.47     8.14      -2.39      -0.02     0.45     16
  34       H     0.07     1.99     6.40      -2.39      -0.02     1.97     16
  35       H     0.07     1.49     8.14      -2.39      -0.02     1.48     16
 Total:         -1.00  -130.76   329.26                 -3.65  -134.42