REAL300033371859.mol2 36                                                        
   1       C    -0.13    -2.28     7.58      71.98       0.55    -1.73     16
   2       C     0.14     2.17     3.65      45.02       0.16     2.33     16
   3       C     0.07     1.52     5.52      86.42       0.48     2.00     16
   4       N    -0.60   -15.22     2.95    -821.80      -2.42   -17.65     16
   5       C     0.60    24.76     7.66      86.69       0.66    25.42     16
   6       O    -0.55   -26.92    15.17      13.26       0.20   -26.72     16
   7       C    -0.08    -3.70     6.51      41.98       0.27    -3.43     16
   8       N    -0.46   -17.07     7.45     -77.93      -0.58   -17.65     16
   9       S     0.50    18.44    24.20     -56.49      -1.37    17.07     16
  10       N    -0.64   -34.19    12.18    -177.24      -2.16   -36.35     16
  11       C     0.36    20.94     8.18      85.12       0.70    21.64     16
  12       O    -0.73   -52.26    17.66     -73.97      -1.31   -53.57     16
  13       C     0.09     1.11     6.60      86.42       0.57     1.68     16
  14       C     0.08     0.21     6.50      86.41       0.56     0.77     16
  15       N    -0.58    -4.72     2.95    -794.17      -2.34    -7.06     16
  16       C     0.46     4.41     6.93      87.66       0.61     5.02     16
  17       O    -0.45    -8.98     7.85      -3.03      -0.02    -9.00     16
  18       C     0.39     0.99     3.86      71.23       0.27     1.26     16
  19       F    -0.13    -4.58    16.66      44.97       0.75    -3.83     16
  20       F    -0.30    -7.73    15.87      44.97       0.71    -7.02     16
  21       F    -0.15    -3.93    13.71      44.97       0.62    -3.31     16
  22       F    -0.16    -3.43    15.88      44.97       0.71    -2.72     16
  23       F    -0.21    -6.04    13.71      44.97       0.62    -5.42     16
  24       H     0.07     1.37     6.60      -2.39      -0.02     1.36     16
  25       H     0.07     1.12     8.14      -2.39      -0.02     1.10     16
  26       H     0.07     1.29     6.89      -2.39      -0.02     1.27     16
  27       H     0.09     1.49     8.14      -2.39      -0.02     1.47     16
  28       H     0.14     3.70     3.94     -58.58      -0.23     3.47     16
  29       H     0.08     1.60     8.12      -2.38      -0.02     1.58     16
  30       H     0.10     1.74     6.99      -2.39      -0.02     1.72     16
  31       H     0.11     0.81     8.14      -2.39      -0.02     0.79     16
  32       H     0.11     0.39     8.14      -2.39      -0.02     0.37     16
  33       H     0.16    -1.74     5.94      -2.39      -0.01    -1.76     16
  34       H     0.24    -1.93     7.59      -2.39      -0.02    -1.95     16
  35       H     0.25    -2.59     7.01      -2.39      -0.02    -2.60     16
 Total:         -1.00  -109.25   314.86                 -2.18  -111.43