REAL300009850775.mol2 45                                                        
   1       O    -0.70   -25.74    16.88     -20.23      -0.34   -26.08     16
   2       C     0.49    16.96     8.05      36.00       0.29    17.25     16
   3       O    -0.71   -27.06    18.00     -20.23      -0.36   -27.43     16
   4       C    -0.18    -4.85     5.69     -27.89      -0.16    -5.01     16
   5       C    -0.09    -2.00     3.99     -26.73      -0.11    -2.11     16
   6       C     0.07     1.29     3.41     -26.15      -0.09     1.20     16
   7       C    -0.14    -1.92     6.15     -25.20      -0.16    -2.07     16
   8       C    -0.15    -1.67     2.57     -89.76      -0.23    -1.90     16
   9       C     0.53     5.45     6.95     -10.99      -0.08     5.38     16
  10       O    -0.53    -7.14    14.93       5.56       0.08    -7.06     16
  11       N    -0.62    -4.03     2.97    -172.51      -0.51    -4.54     16
  12       C     0.10     0.55     6.35      -3.49      -0.02     0.53     16
  13       C    -0.14    -0.62     5.23     -26.39      -0.14    -0.76     16
  14       C    -0.14    -0.26     1.86     -90.58      -0.17    -0.43     16
  15       C     0.38     0.58     9.01      37.16       0.33     0.92     16
  16       O    -0.71    -8.31    14.55     -57.73      -0.84    -9.15     16
  17       O    -0.73   -10.17    17.78     -57.73      -1.03   -11.19     16
  18       C    -0.12    -0.06     5.36     -26.61      -0.14    -0.20     16
  19       C     0.12     0.46     6.44      -3.72      -0.02     0.44     16
  20       C     0.06     0.78     7.16      38.21       0.27     1.05     16
  21       O    -0.36    -6.16    10.81     -35.23      -0.38    -6.54     16
  22       H     0.06     1.65     7.89     -51.93      -0.41     1.24     16
  23       H     0.05     1.36     8.14     -51.93      -0.42     0.94     16
  24       H     0.07     1.63     8.10     -51.93      -0.42     1.21     16
  25       H     0.07     1.57     8.10     -51.93      -0.42     1.15     16
  26       H     0.07     1.14     8.14     -51.93      -0.42     0.72     16
  27       H     0.09     1.19     7.70     -51.93      -0.40     0.79     16
  28       H     0.09     1.31     6.78     -51.93      -0.35     0.95     16
  29       H     0.11     1.06     6.40     -51.93      -0.33     0.73     16
  30       H     0.08     0.38     8.14     -51.93      -0.42    -0.04     16
  31       H     0.10     0.57     5.49     -51.93      -0.29     0.29     16
  32       H     0.07     0.29     8.14     -51.93      -0.42    -0.13     16
  33       H     0.12     0.83     5.85     -51.93      -0.30     0.53     16
  34       H     0.12     0.34     8.03     -51.93      -0.42    -0.08     16
  35       H     0.14    -0.16     8.14     -51.93      -0.42    -0.59     16
  36       H     0.14    -0.32     8.14     -51.93      -0.42    -0.74     16
  37       H     0.33     3.64     8.90      45.56       0.41     4.05     16
  38       H     0.33     4.04     8.90      45.56       0.41     4.45     16
  39       H     0.09     0.04     8.14     -51.93      -0.42    -0.38     16
  40       H     0.09    -0.21     8.14     -51.93      -0.42    -0.63     16
  41       H     0.11     0.58     7.00     -51.92      -0.36     0.22     16
  42       H     0.08     0.22     8.14     -51.93      -0.42    -0.20     16
  43       H     0.06     0.71     8.04     -51.93      -0.42     0.29     16
  44       H     0.09     0.90     8.14     -51.92      -0.42     0.48     16
 Total:         -1.00   -51.13   352.75                 -6.02   -57.15