REAL300019858702.mol2 39                                                        
   1       C    -0.14    -1.64     9.19      37.16       0.34    -1.30     16
   2       C    -0.11    -1.47     3.14     -90.62      -0.28    -1.76     16
   3       C    -0.14    -1.82     7.85      37.16       0.29    -1.53     16
   4       C     0.12     1.99     4.96      -4.04      -0.02     1.97     16
   5       N    -0.58   -10.33     2.41    -176.22      -0.42   -10.75     16
   6       C     0.19     3.54     5.60      -5.19      -0.03     3.51     16
   7       C     0.02     0.50     7.16    -156.73      -1.12    -0.62     16
   8       N    -0.37   -10.24    10.70      32.43       0.35    -9.90     16
   9       N    -0.18    -5.58    13.47      60.35       0.81    -4.77     16
  10       N    -0.19    -5.74    13.47      60.35       0.81    -4.92     16
  11       N    -0.37   -10.27    12.13      32.43       0.39    -9.88     16
  12       C     0.57     9.93     5.64     -12.39      -0.07     9.86     16
  13       O    -0.52    -9.75    14.06       5.31       0.07    -9.68     16
  14       C    -0.13    -1.98     5.51    -104.96      -0.58    -2.56     16
  15       C    -0.08    -1.31     7.13     -38.86      -0.28    -1.59     16
  16       C     0.28     4.28     9.79     -38.73      -0.38     3.90     16
  17       O    -0.55   -12.05    17.23     -57.73      -0.99   -13.04     16
  18       O    -0.71   -13.91    17.23     -57.73      -0.99   -14.90     16
  19       C    -0.06    -0.60     9.74     -39.19      -0.38    -0.98     16
  20       C    -0.13    -1.09    10.00     -39.61      -0.40    -1.49     16
  21       C     0.16     1.92     7.25     -38.81      -0.28     1.64     16
  22       F    -0.10    -1.26    16.10       2.25       0.04    -1.22     16
  23       H     0.05     0.63     8.14     -51.93      -0.42     0.21     16
  24       H     0.06     0.56     8.14     -51.93      -0.42     0.14     16
  25       H     0.06     0.70     8.14     -51.93      -0.42     0.27     16
  26       H     0.07     0.95     8.14     -51.93      -0.42     0.53     16
  27       H     0.06     0.89     7.64     -51.93      -0.40     0.50     16
  28       H     0.05     0.65     6.55     -51.93      -0.34     0.31     16
  29       H     0.05     0.54     8.14     -51.93      -0.42     0.12     16
  30       H     0.09     1.77     7.44     -51.93      -0.39     1.38     16
  31       H     0.08     1.43     7.38     -51.93      -0.38     1.05     16
  32       H     0.09     1.53     8.14     -51.93      -0.42     1.11     16
  33       H     0.11     1.86     3.48     -55.74      -0.19     1.67     16
  34       H     0.23     4.67     2.75     -52.48      -0.14     4.52     16
  35       H     0.34     6.32     8.90      45.56       0.41     6.72     16
  36       H     0.33     5.54     8.90      45.56       0.41     5.95     16
  37       H     0.18     1.59     7.76     -52.49      -0.41     1.19     16
  38       H     0.18     0.75     8.06     -52.49      -0.42     0.33     16
 Total:         -1.00   -36.48   327.49                 -2.59   -39.07