REAL300032369110.mol2 36                                                        
   1       O    -0.51   -14.16    11.27      -3.04      -0.03   -14.19     16
   2       C     0.46     5.59     6.99      87.66       0.61     6.20     16
   3       C     0.38     0.80     4.41      71.24       0.31     1.12     16
   4       F    -0.22    -8.74    16.66      44.97       0.75    -7.99     16
   5       F    -0.17    -3.73    15.88      44.97       0.71    -3.02     16
   6       F    -0.14    -4.61    13.71      44.97       0.62    -3.99     16
   7       F    -0.18    -4.14    15.87      44.97       0.71    -3.42     16
   8       F    -0.13    -4.05    13.71      44.97       0.62    -3.43     16
   9       N    -0.59    -3.74     3.06    -788.08      -2.41    -6.15     16
  10       C     0.06    -0.37     6.74      86.85       0.59     0.22     16
  11       C    -0.12     0.40     7.08      31.99       0.23     0.63     16
  12       C    -0.13    -0.81     6.13      31.78       0.19    -0.62     16
  13       C     0.14     1.89     2.98      45.34       0.13     2.02     16
  14       H     0.09     1.32     8.14      -2.38      -0.02     1.30     16
  15       C     0.11     2.97     5.04      86.38       0.44     3.41     16
  16       N    -0.70   -23.52     5.33    -466.31      -2.49   -26.01     16
  17       C     0.60    29.94     7.81      86.69       0.68    30.62     16
  18       O    -0.56   -33.58    15.72      13.49       0.21   -33.37     16
  19       C    -0.09    -4.51     6.69      41.98       0.28    -4.23     16
  20       N    -0.47   -19.84    10.83     -77.89      -0.84   -20.68     16
  21       S     0.52    21.31    24.20     -56.49      -1.37    19.95     16
  22       N    -0.64   -37.06    12.18    -177.21      -2.16   -39.22     16
  23       C     0.35    22.89     8.19      85.12       0.70    23.58     16
  24       O    -0.73   -56.95    17.64     -73.76      -1.30   -58.25     16
  25       H     0.25    -3.13     7.45      -2.39      -0.02    -3.14     16
  26       H     0.24    -2.42     7.65      -2.39      -0.02    -2.44     16
  27       H     0.10    -0.75     8.14      -2.38      -0.02    -0.77     16
  28       H     0.14    -2.24     7.46      -2.38      -0.02    -2.26     16
  29       H     0.11    -0.68     8.14      -2.39      -0.02    -0.70     16
  30       H     0.10    -0.51     8.14      -2.38      -0.02    -0.53     16
  31       H     0.08     0.74     7.81      -2.39      -0.02     0.72     16
  32       H     0.10     0.54     8.14      -2.39      -0.02     0.52     16
  33       H     0.04     1.62     6.59      -2.39      -0.02     1.60     16
  34       H     0.07     1.88     8.07      -2.39      -0.02     1.86     16
  35       H     0.42    11.43     7.84     -92.71      -0.73    10.70     16
 Total:         -1.00  -126.21   331.68                 -3.76  -129.96