REAL300019630629.0 28                                                           
   1       C     0.09     1.65     9.99      59.13       0.59     2.25     15
   2       N    -0.48   -10.25     3.14    -125.57      -0.39   -10.65     15
   3       C     0.56    11.17     7.31     -12.35      -0.09    11.08     15
   4       O    -0.55   -11.16    16.48       1.22       0.02   -11.14     15
   5       C    -0.02    -0.43     4.89    -105.74      -0.52    -0.95     15
   6       C    -0.06    -1.00     8.66     -37.44      -0.32    -1.32     15
   7       C    -0.01    -0.15     9.24     -37.38      -0.35    -0.49     15
   8       C    -0.57    -7.64     5.35     -37.13      -0.20    -7.84     15
   9       C    -0.02    -0.24     9.30     -37.51      -0.35    -0.59     15
  10       C    -0.07    -0.98     9.65     -37.43      -0.36    -1.34     15
  11       S     2.51    30.80     0.82    -107.50      -0.09    30.71     15
  12       F    -0.47    -6.28    17.24       2.25       0.04    -6.24     15
  13       F    -0.46    -5.36    16.86       2.25       0.04    -5.32     15
  14       F    -0.45    -6.16    16.81       2.25       0.04    -6.12     15
  15       F    -0.46    -5.65    16.83       2.25       0.04    -5.61     15
  16       F    -0.46    -5.75    16.89       2.25       0.04    -5.71     15
  17       C     0.24     6.09     7.21    -319.29      -2.30     3.79     15
  18       N    -0.37    -9.88    12.30      30.25       0.37    -9.51     15
  19       N    -0.18    -5.06    13.45      60.35       0.81    -4.25     15
  20       N    -0.17    -4.91    13.46      60.35       0.81    -4.09     15
  21       N    -0.37    -9.79    11.15      30.25       0.34    -9.45     15
  22       H     0.06     1.11     8.15     -51.74      -0.42     0.69     15
  23       H     0.08     1.29     7.44     -51.85      -0.39     0.90     15
  24       H     0.06     1.09     8.15     -51.87      -0.42     0.67     15
  25       H     0.13     2.39     7.38     -55.43      -0.41     1.98     15
  26       H     0.14     1.73     7.50     -55.49      -0.42     1.32     15
  27       H     0.14     1.34     7.54     -55.47      -0.42     0.92     15
  28       H     0.14     1.83     7.57     -55.36      -0.42     1.41     15
 Total:         -1.00   -30.19   280.76                 -0.50   -30.69