REAL300009850877.mol2 48                                                        
   1       O    -0.70   -26.23    18.00     -20.23      -0.36   -26.60     16
   2       C     0.50    16.82     6.99      36.01       0.25    17.07     16
   3       O    -0.69   -25.59    17.29     -20.23      -0.35   -25.94     16
   4       C    -0.15    -3.84     2.58     -91.77      -0.24    -4.07     16
   5       H     0.06     1.44     8.14     -51.93      -0.42     1.01     16
   6       C    -0.10    -2.13     5.19     -26.73      -0.14    -2.27     16
   7       C    -0.11    -1.77     5.92     -26.73      -0.16    -1.93     16
   8       C    -0.10    -1.47     5.19     -26.73      -0.14    -1.61     16
   9       C    -0.10    -1.67     2.14     -91.77      -0.20    -1.87     16
  10       H     0.08     1.20     6.92     -51.93      -0.36     0.85     16
  11       C     0.54     8.63     6.85     -10.99      -0.08     8.55     16
  12       O    -0.53   -10.71    16.56       5.55       0.09   -10.62     16
  13       N    -0.63    -6.91     3.34    -170.78      -0.57    -7.48     16
  14       C     0.10     0.87     6.90      -2.35      -0.02     0.86     16
  15       C    -0.12    -0.51     6.44     -25.11      -0.16    -0.67     16
  16       C    -0.10    -0.35     0.92    -154.41      -0.14    -0.49     16
  17       C    -0.09    -0.04     6.89     -26.45      -0.18    -0.22     16
  18       C    -0.18    -0.36     4.11     -89.59      -0.37    -0.72     16
  19       C     0.39     0.79     9.04      37.16       0.34     1.12     16
  20       O    -0.74   -11.06    17.78     -57.73      -1.03   -12.08     16
  21       O    -0.71    -9.81    17.67     -57.73      -1.02   -10.83     16
  22       C    -0.11    -0.38     6.98     -26.38      -0.18    -0.56     16
  23       C     0.12     0.89     5.60      -3.52      -0.02     0.87     16
  24       C    -0.08    -1.72     3.85     -26.73      -0.10    -1.82     16
  25       H     0.06     1.41     8.14     -51.93      -0.42     0.99     16
  26       H     0.06     1.27     8.14     -51.93      -0.42     0.84     16
  27       H     0.06     0.81     8.14     -51.93      -0.42     0.39     16
  28       H     0.06     0.87     8.14     -51.93      -0.42     0.45     16
  29       H     0.05     0.63     8.14     -51.93      -0.42     0.21     16
  30       H     0.07     1.13     8.14     -51.93      -0.42     0.71     16
  31       H     0.08     0.81     8.09     -51.93      -0.42     0.39     16
  32       H     0.07     0.49     8.14     -51.93      -0.42     0.06     16
  33       H     0.09     0.16     7.97     -51.93      -0.41    -0.26     16
  34       H     0.09     0.45     8.14     -51.93      -0.42     0.02     16
  35       H     0.10     0.06     8.03     -51.93      -0.42    -0.36     16
  36       H     0.10    -0.23     7.98     -51.93      -0.41    -0.64     16
  37       H     0.14     0.48     8.14     -51.93      -0.42     0.05     16
  38       H     0.14    -0.15     8.14     -51.93      -0.42    -0.57     16
  39       H     0.14    -0.23     7.88     -51.93      -0.41    -0.64     16
  40       H     0.33     4.39     8.90      45.56       0.41     4.80     16
  41       H     0.33     4.21     8.90      45.56       0.41     4.62     16
  42       H     0.10     0.23     7.92     -51.93      -0.41    -0.19     16
  43       H     0.09     0.56     8.01     -51.92      -0.42     0.14     16
  44       H     0.08     0.64     7.44     -51.93      -0.39     0.26     16
  45       H     0.07     0.46     7.89     -51.93      -0.41     0.05     16
  46       H     0.08     2.06     7.59     -51.93      -0.39     1.67     16
  47       H     0.05     1.26     8.14     -51.92      -0.42     0.84     16
 Total:         -1.00   -52.14   377.45                 -7.80   -59.93