REAL300025554542.mol2 29                                                        
   1       O    -0.55   -12.67    16.35      -3.88      -0.06   -12.74     15
   2       C     0.57    10.32     7.77      86.79       0.67    10.99     15
   3       N    -0.70   -15.64     5.50    -469.71      -2.58   -18.23     15
   4       C     0.23     6.68     6.30      85.63       0.54     7.22     15
   5       C     0.18     7.29     8.02     138.21       1.11     8.40     15
   6       N    -0.63   -30.06    10.50    -431.20      -4.53   -34.59     15
   7       C     0.46    25.79     9.62     130.00       1.25    27.04     15
   8       O    -0.62   -38.89    18.07      18.14       0.33   -38.56     15
   9       O    -0.08    -4.28    11.35      93.27       1.06    -3.22     15
  10       N    -0.48   -23.12    12.33     -53.63      -0.66   -23.78     15
  11       C    -0.11    -1.18     5.87     -20.09      -0.12    -1.30     15
  12       C    -0.01    -0.11     9.54      22.52       0.21     0.11     15
  13       C    -0.11    -1.24     8.60      22.23       0.19    -1.05     15
  14       C     0.38     5.89     4.83      22.33       0.11     6.00     15
  15       F    -0.07    -2.34    16.66      44.97       0.75    -1.59     15
  16       F    -0.21    -5.91    15.30      44.97       0.69    -5.23     15
  17       F    -0.26    -7.78    15.30      44.97       0.69    -7.09     15
  18       F    -0.21    -5.96    15.30      44.97       0.69    -5.27     15
  19       F    -0.12    -3.17    15.30      44.97       0.69    -2.49     15
  20       C    -0.11    -1.01     8.60      22.23       0.19    -0.82     15
  21       C     0.02     0.11     9.60      22.53       0.22     0.33     15
  22       H     0.42     9.16     5.70     -92.71      -0.53     8.63     15
  23       H     0.10     2.75     8.14      -2.39      -0.02     2.73     15
  24       H     0.11     2.76     8.14      -2.39      -0.02     2.74     15
  25       H     0.20     1.35     6.41      -2.91      -0.02     1.33     15
  26       H     0.19     2.01     7.38      -2.91      -0.02     1.99     15
  27       H     0.20     1.47     7.38      -2.91      -0.02     1.45     15
  28       H     0.21     0.70     7.65      -2.91      -0.02     0.67     15
 Total:         -1.00   -77.09   281.49                  0.78   -76.32