REAL300032261202.mol2 33                                                        
   1       O    -0.51   -11.10    12.72      -3.04      -0.04   -11.13     16
   2       C     0.48     3.94     7.17      87.66       0.63     4.57     16
   3       C     0.38    -0.07     4.66      71.24       0.33     0.26     16
   4       F    -0.24    -8.82    16.66      44.97       0.75    -8.07     16
   5       F    -0.14    -3.86    13.70      44.97       0.62    -3.24     16
   6       F    -0.18    -3.73    15.88      44.97       0.71    -3.01     16
   7       F    -0.19    -4.03    15.87      44.97       0.71    -3.32     16
   8       F    -0.13    -3.53    13.72      44.97       0.62    -2.91     16
   9       N    -0.59    -2.78     3.33    -812.23      -2.70    -5.48     16
  10       C     0.08    -0.19     6.49      86.73       0.56     0.38     16
  11       C    -0.14    -1.33     6.65      31.78       0.21    -1.11     16
  12       C     0.13     2.20     3.30      46.31       0.15     2.35     16
  13       H     0.09     1.96     7.73      -2.39      -0.02     1.94     16
  14       N    -0.70   -18.35     5.23    -439.49      -2.30   -20.65     16
  15       C     0.61    25.69     7.81      86.69       0.68    26.37     16
  16       O    -0.55   -27.57    15.47      13.46       0.21   -27.36     16
  17       C    -0.08    -4.02     6.69      41.98       0.28    -3.74     16
  18       N    -0.47   -18.48    10.83     -77.90      -0.84   -19.32     16
  19       S     0.51    19.76    24.20     -56.49      -1.37    18.39     16
  20       N    -0.65   -35.20    12.18    -177.22      -2.16   -37.36     16
  21       C     0.35    21.36     8.19      85.12       0.70    22.05     16
  22       O    -0.73   -52.95    17.64     -73.78      -1.30   -54.25     16
  23       C     0.11     1.31     6.52      86.78       0.57     1.87     16
  24       H     0.25    -3.01     7.65      -2.38      -0.02    -3.03     16
  25       H     0.25    -3.42     7.65      -2.39      -0.02    -3.44     16
  26       H     0.14    -1.53     8.14      -2.38      -0.02    -1.55     16
  27       H     0.12    -1.05     8.14      -2.39      -0.02    -1.07     16
  28       H     0.09     0.83     8.14      -2.38      -0.02     0.81     16
  29       H     0.09     1.14     8.14      -2.39      -0.02     1.12     16
  30       H     0.42     9.29     8.01     -92.71      -0.74     8.54     16
  31       H     0.08     1.27     8.04      -2.39      -0.02     1.25     16
  32       H     0.10     0.96     8.00      -2.39      -0.02     0.94     16
 Total:         -1.00  -115.31   314.55                 -3.90  -119.21