REAL300031828563.mol2 33                                                        
   1       O    -0.50   -11.07    12.79      -3.04      -0.04   -11.11     16
   2       C     0.48     4.22     7.17      87.66       0.63     4.85     16
   3       C     0.40     0.24     4.48      71.24       0.32     0.56     16
   4       F    -0.12    -3.92    16.66      44.97       0.75    -3.17     16
   5       F    -0.19    -5.61    13.70      44.97       0.62    -4.99     16
   6       F    -0.14    -2.68    15.88      44.97       0.71    -1.96     16
   7       F    -0.28    -6.55    15.87      44.97       0.71    -5.83     16
   8       F    -0.17    -4.38    13.72      44.97       0.62    -3.76     16
   9       N    -0.59    -3.10     3.33    -811.82      -2.70    -5.80     16
  10       C     0.08    -0.16     6.69      86.85       0.58     0.43     16
  11       C    -0.15    -1.44     6.76      31.98       0.22    -1.22     16
  12       C     0.13     2.24     3.25      46.18       0.15     2.39     16
  13       N    -0.70   -18.85     5.20    -440.12      -2.29   -21.14     16
  14       C     0.61    25.79     7.80      86.69       0.68    26.46     16
  15       O    -0.54   -27.24    15.45      13.46       0.21   -27.03     16
  16       C    -0.08    -4.03     6.69      41.98       0.28    -3.75     16
  17       N    -0.47   -18.99    10.83     -77.90      -0.84   -19.83     16
  18       S     0.51    20.02    24.20     -56.49      -1.37    18.65     16
  19       N    -0.64   -35.38    12.18    -177.21      -2.16   -37.54     16
  20       C     0.36    21.46     8.19      85.12       0.70    22.16     16
  21       O    -0.73   -52.80    17.64     -73.73      -1.30   -54.10     16
  22       C     0.11     1.38     6.61      86.73       0.57     1.95     16
  23       H     0.24    -2.61     7.34      -2.38      -0.02    -2.63     16
  24       H     0.25    -3.27     7.65      -2.39      -0.02    -3.29     16
  25       H     0.13    -0.83     8.14      -2.38      -0.02    -0.85     16
  26       H     0.14    -1.68     7.47      -2.39      -0.02    -1.69     16
  27       H     0.09     1.21     8.14      -2.38      -0.02     1.19     16
  28       H     0.09     0.92     8.14      -2.39      -0.02     0.90     16
  29       H     0.10     2.03     7.69      -2.39      -0.02     2.02     16
  30       H     0.41     9.86     7.79     -92.71      -0.72     9.14     16
  31       H     0.08     1.15     7.67      -2.39      -0.02     1.14     16
  32       H     0.09     1.18     8.14      -2.39      -0.02     1.16     16
 Total:         -1.00  -112.87   313.26                 -3.85  -116.72