REAL300019817274.mol2 41                                                        
   1       O    -0.56   -23.04    13.40      -3.08      -0.04   -23.08     16
   2       C     0.51    14.87     7.67      87.66       0.67    15.54     16
   3       C    -0.12    -2.12     5.68      29.85       0.17    -1.95     16
   4       C    -0.07    -1.44     4.62      29.85       0.14    -1.30     16
   5       C    -0.08    -0.97     5.16     -19.70      -0.10    -1.07     16
   6       C    -0.06     0.02     9.68      22.26       0.22     0.24     16
   7       C    -0.06     0.34    10.04      22.34       0.22     0.57     16
   8       C    -0.07     0.11    10.04      22.24       0.22     0.33     16
   9       C    -0.08    -0.87     6.31     -19.69      -0.12    -1.00     16
  10       C     0.26     5.14     9.97      22.77       0.23     5.36     16
  11       O    -0.68   -29.39    17.75    -128.58      -2.28   -31.68     16
  12       O    -0.54   -19.64    15.05    -128.58      -1.94   -21.58     16
  13       C     0.07     1.43     7.74      71.18       0.55     1.99     16
  14       N    -0.66   -17.53     5.22    -303.40      -1.58   -19.11     16
  15       C     0.11     3.86     6.31      38.13       0.24     4.10     16
  16       C    -0.09    -4.18     8.35      22.59       0.19    -3.99     16
  17       C     0.01     0.44     5.87     -20.05      -0.12     0.32     16
  18       C     0.09     5.49     7.93     137.43       1.09     6.58     16
  19       N    -0.39   -26.43    12.15     -52.23      -0.63   -27.07     16
  20       N    -0.21   -14.68    13.45      37.02       0.50   -14.18     16
  21       N    -0.21   -13.91    13.46      37.02       0.50   -13.41     16
  22       N    -0.38   -24.11    12.15     -52.23      -0.63   -24.75     16
  23       C    -0.08    -3.19     9.69      22.49       0.22    -2.97     16
  24       C    -0.11    -3.10    10.01      22.26       0.22    -2.88     16
  25       C     0.08     2.32     7.31      22.52       0.16     2.48     16
  26       F    -0.12    -2.80    16.95      44.97       0.76    -2.03     16
  27       H     0.10     1.97     8.14      -2.38      -0.02     1.95     16
  28       H     0.16     1.02     8.14      -2.39      -0.02     1.00     16
  29       H     0.11     1.87     8.01      -2.39      -0.02     1.85     16
  30       H     0.05     1.65     7.29      -2.39      -0.02     1.64     16
  31       H     0.21    -1.47     8.06      -2.91      -0.02    -1.49     16
  32       H     0.21    -3.16     8.06      -2.91      -0.02    -3.19     16
  33       H     0.21    -2.01     8.06      -2.91      -0.02    -2.04     16
  34       H     0.34    13.90     9.30     -74.06      -0.69    13.21     16
  35       H     0.09     1.29     8.14      -2.39      -0.02     1.27     16
  36       H     0.08     1.29     8.14      -2.39      -0.02     1.27     16
  37       H     0.43     7.66     8.66     -92.70      -0.80     6.86     16
  38       H     0.12     6.35     6.02      -2.91      -0.02     6.34     16
  39       H     0.14     5.35     7.88      -2.91      -0.02     5.32     16
  40       H     0.19     3.49     8.06      -2.91      -0.02     3.46     16
 Total:         -1.00  -114.20   363.91                 -2.89  -117.09