REAL300032859055.mol2 36                                                        
   1       O    -0.48   -32.64    10.47      -3.07      -0.03   -32.67     16
   2       C     0.48    25.77     6.66      87.66       0.58    26.36     16
   3       C     0.39    26.38     5.47      71.24       0.39    26.77     16
   4       F    -0.33   -40.35    16.66      44.97       0.75   -39.60     16
   5       F    -0.72   -81.68    15.87      44.97       0.71   -80.96     16
   6       F    -0.47   -48.73    13.71      44.97       0.62   -48.11     16
   7       F    -0.67   -73.31    15.88      44.97       0.71   -72.60     16
   8       F    -0.48   -51.04    13.71      44.97       0.62   -50.43     16
   9       N    -0.69   -18.35     4.38    -420.54      -1.84   -20.19     16
  10       C     0.13     2.52     0.67       4.13       0.00     2.52     16
  11       C     0.12     1.96     5.09      86.38       0.44     2.40     16
  12       N    -0.65    -4.49     5.44    -466.29      -2.54    -7.02     16
  13       C     0.54     2.45     7.81      86.69       0.68     3.13     16
  14       O    -0.50    -6.92    15.72      13.47       0.21    -6.71     16
  15       C     0.30    -2.74     6.69      41.98       0.28    -2.45     16
  16       N    -0.62    11.43    10.83     -77.88      -0.84    10.58     16
  17       S     1.48   -44.80    24.20     -56.49      -1.37   -46.16     16
  18       N    -0.50     9.40    12.18    -177.21      -2.16     7.24     16
  19       C     0.37    -3.56     8.19      85.12       0.70    -2.87     16
  20       O    -0.16    -0.25    17.64     -73.76      -1.30    -1.55     16
  21       C    -0.09    -0.44     7.39      31.12       0.23    -0.21     16
  22       C    -0.14    -2.19     7.99      31.12       0.25    -1.94     16
  23       C    -0.16    -4.47     6.88      31.12       0.21    -4.25     16
  24       H     0.12     7.47     7.65      -2.39      -0.02     7.45     16
  25       H     0.14     7.79     7.65      -2.39      -0.02     7.77     16
  26       H     0.43     5.69     8.75     -92.71      -0.81     4.88     16
  27       H     0.14     1.24     7.95      -2.39      -0.02     1.22     16
  28       H     0.04     1.32     7.63      -2.38      -0.02     1.30     16
  29       H     0.43     0.23     7.45     -92.71      -0.69    -0.46     16
  30       H     0.14    -0.24     7.97      -2.39      -0.02    -0.26     16
  31       H     0.12    -0.23     8.13      -2.39      -0.02    -0.25     16
  32       H     0.09     1.12     8.14      -2.39      -0.02     1.11     16
  33       H     0.07     1.38     8.14      -2.39      -0.02     1.36     16
  34       H     0.02     0.81     6.74      -2.39      -0.02     0.80     16
  35       H     0.11     2.44     8.10      -2.39      -0.02     2.42     16
 Total:         -1.00  -307.03   333.83                 -4.38  -311.41