REAL300033686469.mol2 36                                                        
   1       C    -0.16    -1.85     9.29      71.98       0.67    -1.18     16
   2       C     0.15     2.12     2.42      44.99       0.11     2.23     16
   3       H     0.08     1.46     7.37      -2.39      -0.02     1.44     16
   4       N    -0.70   -17.79     5.07    -445.73      -2.26   -20.05     16
   5       C     0.61    25.71     7.77      86.69       0.67    26.38     16
   6       O    -0.55   -28.44    15.38      13.48       0.21   -28.23     16
   7       C    -0.08    -4.07     6.69      41.98       0.28    -3.79     16
   8       N    -0.47   -18.59    10.83     -77.88      -0.84   -19.43     16
   9       S     0.50    19.80    24.20     -56.49      -1.37    18.44     16
  10       N    -0.65   -35.83    12.18    -177.21      -2.16   -37.99     16
  11       C     0.35    21.60     8.19      85.12       0.70    22.29     16
  12       O    -0.73   -53.86    17.64     -73.67      -1.30   -55.16     16
  13       C    -0.11    -0.39     3.50     -10.13      -0.04    -0.42     16
  14       C     0.11     0.98     8.39      86.48       0.73     1.71     16
  15       N    -0.62    -1.80     3.61    -836.60      -3.02    -4.82     16
  16       C     0.48     3.96     7.38      87.66       0.65     4.61     16
  17       O    -0.52   -12.05    13.19      -3.04      -0.04   -12.09     16
  18       C     0.38    -0.22     5.22      71.24       0.37     0.15     16
  19       F    -0.24    -8.95    16.66      44.97       0.75    -8.20     16
  20       F    -0.19    -3.93    15.88      44.97       0.71    -3.22     16
  21       F    -0.13    -3.68    13.71      44.97       0.62    -3.07     16
  22       F    -0.19    -3.80    15.87      44.97       0.71    -3.09     16
  23       F    -0.14    -3.92    13.71      44.97       0.62    -3.30     16
  24       C     0.10    -0.64     7.23      86.48       0.63    -0.01     16
  25       H     0.08     0.65     8.14      -2.39      -0.02     0.63     16
  26       H     0.11     0.23     7.43      -2.39      -0.02     0.21     16
  27       H     0.02     0.51     8.14      -2.39      -0.02     0.49     16
  28       H     0.41     8.75     8.09     -92.70      -0.75     8.00     16
  29       H     0.14     0.02     8.14      -2.39      -0.02     0.00     16
  30       H     0.08     1.02     8.14      -2.39      -0.02     1.00     16
  31       H     0.09     1.09     7.96      -2.39      -0.02     1.07     16
  32       H     0.25    -3.18     7.65      -2.39      -0.02    -3.20     16
  33       H     0.25    -3.49     7.65      -2.39      -0.02    -3.51     16
  34       H     0.13    -1.14     8.06      -2.39      -0.02    -1.16     16
  35       H     0.16    -2.62     8.14      -2.39      -0.02    -2.64     16
 Total:         -1.00  -122.35   338.92                 -3.56  -125.91