REAL300019630629.0 28                                                           
   1       C     0.09     2.98     9.99     128.02       1.28     4.26     15
   2       N    -0.49   -20.83     3.14    -664.96      -2.09   -22.92     15
   3       C     0.56    22.18     7.31      84.55       0.62    22.80     15
   4       O    -0.55   -21.91    16.48     -18.55      -0.31   -22.22     15
   5       C    -0.06    -2.12     4.89     -20.59      -0.10    -2.22     15
   6       C    -0.08    -2.70     8.66      23.66       0.20    -2.50     15
   7       C    -0.02    -0.43     9.24      23.69       0.22    -0.21     15
   8       C    -0.57   -14.06     5.35      23.86       0.13   -13.93     15
   9       C    -0.01    -0.16     9.30      23.61       0.22     0.06     15
  10       C    -0.06    -1.80     9.65      23.67       0.23    -1.58     15
  11       S     2.54    54.84     0.82     -56.49      -0.05    54.80     15
  12       F    -0.48   -11.40    17.24      44.97       0.78   -10.62     15
  13       F    -0.45    -8.82    16.86      44.97       0.76    -8.06     15
  14       F    -0.46   -11.42    16.81      44.97       0.76   -10.66     15
  15       F    -0.45   -10.00    16.83      44.97       0.76    -9.25     15
  16       F    -0.45    -9.84    16.89      44.97       0.76    -9.08     15
  17       C     0.26    13.15     7.21     260.26       1.88    15.03     15
  18       N    -0.38   -20.64    12.30     -58.22      -0.72   -21.36     15
  19       N    -0.20   -11.27    13.45      37.02       0.50   -10.77     15
  20       N    -0.19   -10.87    13.46      37.02       0.50   -10.37     15
  21       N    -0.38   -19.88    11.15     -58.22      -0.65   -20.53     15
  22       H     0.06     2.20     8.15      -2.21      -0.02     2.18     15
  23       H     0.11     3.13     7.44      -2.31      -0.02     3.11     15
  24       H     0.07     2.33     8.15      -2.33      -0.02     2.32     15
  25       H     0.11     4.23     7.38      -5.68      -0.04     4.19     15
  26       H     0.15     3.71     7.50      -5.73      -0.04     3.67     15
  27       H     0.18     2.59     7.54      -5.71      -0.04     2.54     15
  28       H     0.16     3.69     7.57      -5.61      -0.04     3.65     15
 Total:         -1.00   -63.13   280.76                  5.44   -57.68