REAL300009850819.mol2 45                                                        
   1       O    -0.70   -26.65    18.00     -20.23      -0.36   -27.02     16
   2       C     0.50    17.13     7.38      36.01       0.27    17.40     16
   3       O    -0.70   -25.10    17.17     -20.23      -0.35   -25.45     16
   4       C    -0.15    -4.02     3.52     -90.96      -0.32    -4.34     16
   5       H     0.09     2.45     7.45     -51.93      -0.39     2.06     16
   6       C    -0.12    -2.48     7.61     -25.83      -0.20    -2.68     16
   7       C    -0.12    -1.97     7.18     -25.83      -0.19    -2.16     16
   8       C    -0.12    -2.44     2.21     -90.96      -0.20    -2.64     16
   9       H     0.12     2.59     6.97     -51.93      -0.36     2.23     16
  10       C     0.53    10.43     7.22     -10.98      -0.08    10.35     16
  11       O    -0.53   -12.66    15.30       5.56       0.09   -12.58     16
  12       N    -0.62    -8.68     2.94    -172.66      -0.51    -9.19     16
  13       C     0.11     1.24     6.30      -3.67      -0.02     1.22     16
  14       C    -0.12    -0.77     5.25     -26.69      -0.14    -0.91     16
  15       C    -0.07    -0.37     0.75    -154.34      -0.12    -0.49     16
  16       C    -0.12    -0.63     6.42     -26.08      -0.17    -0.80     16
  17       C    -0.17    -0.56     2.96     -89.74      -0.27    -0.83     16
  18       C     0.39     1.18     9.53      37.16       0.35     1.54     16
  19       O    -0.71   -10.22    16.53     -57.73      -0.95   -11.17     16
  20       O    -0.74   -11.61    17.78     -57.73      -1.03   -12.63     16
  21       C    -0.10    -0.15     6.79     -26.07      -0.18    -0.32     16
  22       C    -0.11    -0.78     5.19     -26.68      -0.14    -0.92     16
  23       C     0.11     1.17     6.17      -3.65      -0.02     1.15     16
  24       H     0.09     1.86     8.00     -51.93      -0.42     1.44     16
  25       H     0.06     1.14     8.14     -51.93      -0.42     0.72     16
  26       H     0.07     1.14     8.09     -51.93      -0.42     0.72     16
  27       H     0.07     0.89     7.91     -51.93      -0.41     0.48     16
  28       H     0.06     0.66     8.06     -51.93      -0.42     0.24     16
  29       H     0.09     1.27     6.98     -51.92      -0.36     0.90     16
  30       H     0.07     0.55     8.14     -51.93      -0.42     0.13     16
  31       H     0.08     0.33     8.12     -51.93      -0.42    -0.09     16
  32       H     0.09     0.35     7.83     -51.93      -0.41    -0.06     16
  33       H     0.09     0.70     7.35     -51.93      -0.38     0.32     16
  34       H     0.14     0.76     7.18     -51.93      -0.37     0.38     16
  35       H     0.13    -0.10     8.14     -51.93      -0.42    -0.52     16
  36       H     0.14    -0.01     7.84     -51.93      -0.41    -0.42     16
  37       H     0.33     4.39     8.90      45.56       0.41     4.80     16
  38       H     0.33     4.56     8.90      45.56       0.41     4.97     16
  39       H     0.10     0.10     8.09     -51.93      -0.42    -0.32     16
  40       H     0.10    -0.06     8.05     -51.93      -0.42    -0.48     16
  41       H     0.08     0.54     8.14     -51.93      -0.42     0.12     16
  42       H     0.08     0.46     7.30     -51.93      -0.38     0.08     16
  43       H     0.10     1.11     5.35     -51.93      -0.28     0.83     16
  44       H     0.07     0.72     7.44     -51.93      -0.39     0.33     16
 Total:         -1.00   -51.55   350.62                 -6.77   -58.33