REAL300009850855.mol2 48                                                        
   1       O    -0.71   -26.90    18.00     -20.23      -0.36   -27.27     16
   2       C     0.50    17.21     6.99      36.00       0.25    17.46     16
   3       O    -0.70   -26.19    17.28     -20.23      -0.35   -26.54     16
   4       C    -0.15    -4.01     2.58     -91.77      -0.24    -4.24     16
   5       C    -0.11    -2.60     4.63     -26.73      -0.12    -2.73     16
   6       C    -0.10    -1.72     5.10     -26.73      -0.14    -1.86     16
   7       C    -0.10    -1.46     2.40     -91.77      -0.22    -1.68     16
   8       C     0.54     8.74     5.68     -10.99      -0.06     8.68     16
   9       O    -0.51   -10.76    13.92       5.55       0.08   -10.68     16
  10       N    -0.62    -7.36     3.33    -170.80      -0.57    -7.93     16
  11       C     0.11     1.07     6.89      -2.87      -0.02     1.05     16
  12       C    -0.12    -0.60     6.34     -25.51      -0.16    -0.76     16
  13       C    -0.10    -0.41     0.92    -154.51      -0.14    -0.55     16
  14       C    -0.11    -0.38     6.91     -26.54      -0.18    -0.57     16
  15       C    -0.17    -0.40     3.38     -89.56      -0.30    -0.70     16
  16       C     0.39     0.83     9.38      37.16       0.35     1.18     16
  17       O    -0.74   -11.08    17.78     -57.73      -1.03   -12.10     16
  18       O    -0.70    -9.46    16.98     -57.73      -0.98   -10.44     16
  19       C    -0.09    -0.11     6.96     -26.53      -0.18    -0.30     16
  20       C     0.12     0.94     4.71      -3.02      -0.01     0.93     16
  21       C    -0.11    -1.72     5.32     -26.73      -0.14    -1.86     16
  22       C    -0.10    -2.11     4.96     -26.73      -0.13    -2.25     16
  23       H     0.06     1.41     8.14     -51.93      -0.42     0.99     16
  24       H     0.10     2.61     5.16     -51.93      -0.27     2.34     16
  25       H     0.05     1.18     8.14     -51.93      -0.42     0.75     16
  26       H     0.06     0.99     8.14     -51.93      -0.42     0.57     16
  27       H     0.06     0.98     8.12     -51.93      -0.42     0.56     16
  28       H     0.09     0.94     7.70     -51.93      -0.40     0.54     16
  29       H     0.07     0.67     8.14     -51.93      -0.42     0.25     16
  30       H     0.07     0.88     8.14     -51.93      -0.42     0.46     16
  31       H     0.08     0.25     7.99     -51.93      -0.42    -0.17     16
  32       H     0.09     0.48     8.14     -51.93      -0.42     0.05     16
  33       H     0.10     0.20     7.90     -51.93      -0.41    -0.21     16
  34       H     0.09     0.55     8.12     -51.93      -0.42     0.13     16
  35       H     0.14     0.54     8.14     -51.93      -0.42     0.12     16
  36       H     0.14    -0.13     8.14     -51.93      -0.42    -0.56     16
  37       H     0.14    -0.21     7.85     -51.93      -0.41    -0.61     16
  38       H     0.33     4.33     8.90      45.56       0.41     4.74     16
  39       H     0.33     4.08     8.90      45.56       0.41     4.48     16
  40       H     0.10     0.18     8.13     -51.93      -0.42    -0.24     16
  41       H     0.10    -0.12     8.01     -51.93      -0.42    -0.54     16
  42       H     0.08     0.68     6.86     -51.93      -0.36     0.33     16
  43       H     0.08     0.51     7.45     -51.93      -0.39     0.12     16
  44       H     0.07     1.04     8.14     -51.93      -0.42     0.62     16
  45       H     0.06     0.76     5.37     -51.93      -0.28     0.48     16
  46       H     0.06     1.28     8.14     -51.93      -0.42     0.86     16
  47       H     0.06     1.36     7.22     -51.93      -0.37     0.99     16
 Total:         -1.00   -53.03   365.56                 -7.56   -60.59