REAL300009850731.mol2 39                                                        
   1       O    -0.65   -22.43    17.77     -20.67      -0.37   -22.80     16
   2       C     0.55    18.05     8.03      34.07       0.27    18.33     16
   3       O    -0.66   -23.22    18.01     -23.81      -0.43   -23.65     16
   4       C     0.00    -0.12     7.17     -36.34      -0.26    -0.38     16
   5       C    -0.21    -4.57    10.64     -39.13      -0.42    -4.99     16
   6       C    -0.16    -2.81    10.88     -39.07      -0.42    -3.24     16
   7       C    -0.07    -1.26     7.02     -36.32      -0.25    -1.52     16
   8       C     0.06     0.80     9.64     -37.38      -0.36     0.44     16
   9       C    -0.26    -3.27     8.50     -37.35      -0.32    -3.59     16
  10       C     0.56     6.18     7.54     -12.93      -0.10     6.08     16
  11       O    -0.54    -7.34    15.56       5.20       0.08    -7.26     16
  12       N    -0.62    -4.30     2.24    -174.15      -0.39    -4.69     16
  13       C     0.10     0.47     6.08      -2.95      -0.02     0.45     16
  14       C    -0.12    -0.30     5.69     -27.39      -0.16    -0.46     16
  15       C    -0.17    -1.05     5.39     -28.11      -0.15    -1.20     16
  16       C     0.40     3.19     5.17     -29.79      -0.15     3.04     16
  17       O    -0.71   -13.82    16.57     -57.73      -0.96   -14.77     16
  18       O    -0.76   -13.85    17.03     -57.73      -0.98   -14.83     16
  19       C    -0.21    -1.72     4.33     -28.58      -0.12    -1.84     16
  20       C     0.14     0.72     5.02      -4.09      -0.02     0.70     16
  21       O    -0.14    -3.32    10.28      -1.81      -0.02    -3.34     16
  22       H     0.15     3.24     8.06     -52.49      -0.42     2.82     16
  23       H     0.15     2.06     8.06     -52.49      -0.42     1.64     16
  24       H     0.15     1.89     7.54     -52.49      -0.40     1.50     16
  25       H     0.14     1.74     5.89     -52.48      -0.31     1.43     16
  26       H     0.10     0.64     7.02     -51.92      -0.36     0.27     16
  27       H     0.08     0.25     8.14     -51.93      -0.42    -0.18     16
  28       H     0.11     0.12     8.14     -51.93      -0.42    -0.30     16
  29       H     0.08     0.04     7.31     -51.93      -0.38    -0.34     16
  30       H     0.13     1.01     7.46     -51.93      -0.39     0.62     16
  31       H     0.10     0.77     7.48     -51.93      -0.39     0.38     16
  32       H     0.13     0.53     7.35     -51.93      -0.38     0.15     16
  33       H     0.33     5.82     8.90      45.56       0.41     6.22     16
  34       H     0.32     5.44     8.90      45.56       0.41     5.85     16
  35       H     0.13     1.20     7.94     -51.93      -0.41     0.79     16
  36       H     0.12     1.30     7.88     -51.93      -0.41     0.89     16
  37       H     0.10     0.13     8.06     -51.93      -0.42    -0.29     16
  38       H     0.13     0.73     6.13     -51.93      -0.32     0.41     16
 Total:         -1.00   -47.06   328.82                 -5.64   -52.69