REAL300009850729.mol2 45                                                        
   1       O    -0.70   -25.59    16.88     -20.23      -0.34   -25.93     16
   2       C     0.49    16.71     8.05      36.00       0.29    17.00     16
   3       O    -0.71   -26.75    18.00     -20.23      -0.36   -27.12     16
   4       C    -0.18    -4.65     5.69     -27.89      -0.16    -4.81     16
   5       C    -0.10    -2.18     4.07     -26.74      -0.11    -2.29     16
   6       C     0.08     1.21     3.51     -26.01      -0.09     1.12     16
   7       C    -0.13    -1.62     5.70     -24.78      -0.14    -1.76     16
   8       C    -0.15    -1.28     2.41     -89.52      -0.22    -1.49     16
   9       C     0.53     4.25     6.99     -10.99      -0.08     4.17     16
  10       O    -0.51    -6.24    15.14       5.55       0.08    -6.16     16
  11       N    -0.62    -2.28     2.24    -172.54      -0.39    -2.67     16
  12       C     0.09     0.06     4.94      -2.95      -0.01     0.04     16
  13       C    -0.13     0.13     5.71     -27.30      -0.16    -0.02     16
  14       C    -0.17    -0.31     3.85     -28.02      -0.11    -0.41     16
  15       C     0.34     1.43     4.82     -29.79      -0.14     1.29     16
  16       O    -0.65   -10.20    17.78     -57.73      -1.03   -11.22     16
  17       O    -0.72   -11.67    17.50     -57.73      -1.01   -12.68     16
  18       C    -0.20    -0.85     5.74     -28.59      -0.16    -1.02     16
  19       C     0.15     0.38     5.38      -4.09      -0.02     0.36     16
  20       C     0.07     0.63     6.57      38.19       0.25     0.88     16
  21       O    -0.37    -5.50    10.65     -35.23      -0.38    -5.88     16
  22       H     0.06     1.58     7.90     -51.93      -0.41     1.17     16
  23       H     0.05     1.31     8.14     -51.93      -0.42     0.88     16
  24       H     0.07     1.58     8.10     -51.93      -0.42     1.16     16
  25       H     0.06     1.50     8.10     -51.93      -0.42     1.08     16
  26       H     0.08     1.17     8.14     -51.93      -0.42     0.74     16
  27       H     0.09     0.94     8.14     -51.93      -0.42     0.51     16
  28       H     0.10     1.40     7.06     -51.93      -0.37     1.04     16
  29       H     0.11     0.63     7.22     -51.93      -0.38     0.26     16
  30       H     0.09    -0.03     8.14     -51.92      -0.42    -0.46     16
  31       H     0.10     0.06     4.96     -51.93      -0.26    -0.19     16
  32       H     0.08    -0.20     7.32     -51.93      -0.38    -0.58     16
  33       H     0.11    -0.26     8.14     -51.93      -0.42    -0.69     16
  34       H     0.12     0.31     7.76     -51.93      -0.40    -0.10     16
  35       H     0.10     0.25     7.36     -51.93      -0.38    -0.14     16
  36       H     0.14     0.17     7.35     -51.93      -0.38    -0.21     16
  37       H     0.34     5.08     9.20      45.56       0.42     5.50     16
  38       H     0.30     3.58     7.46      45.56       0.34     3.92     16
  39       H     0.11     0.72     8.14     -51.93      -0.42     0.30     16
  40       H     0.12     0.56     8.14     -51.93      -0.42     0.14     16
  41       H     0.09    -0.06     8.06     -51.93      -0.42    -0.48     16
  42       H     0.13     0.53     7.30     -51.93      -0.38     0.15     16
  43       H     0.06     0.66     8.02     -51.93      -0.42     0.24     16
  44       H     0.09     0.51     6.74     -51.93      -0.35     0.16     16
 Total:         -1.00   -52.37   348.55                 -6.59   -58.96