REAL300009850794.mol2 44                                                        
   1       O    -0.68   -23.13    17.21     -20.47      -0.35   -23.48     16
   2       C     0.53    17.22     8.05      34.81       0.28    17.50     16
   3       O    -0.65   -23.20    17.78     -20.47      -0.36   -23.57     16
   4       C     0.10     2.70     6.75     -82.97      -0.56     2.14     16
   5       C    -0.14    -3.10     9.62     -39.06      -0.38    -3.48     16
   6       C    -0.04    -0.67     9.79     -38.89      -0.38    -1.05     16
   7       C    -0.21    -3.47     5.18    -104.71      -0.54    -4.02     16
   8       C     0.58     8.30     7.35     -12.23      -0.09     8.21     16
   9       O    -0.54    -9.21    16.33       5.34       0.09    -9.12     16
  10       N    -0.61    -6.05     2.94    -173.71      -0.51    -6.56     16
  11       C     0.11     0.78     6.31      -3.66      -0.02     0.76     16
  12       C    -0.12    -0.53     5.25     -26.69      -0.14    -0.67     16
  13       C    -0.07    -0.28     0.75    -154.34      -0.12    -0.40     16
  14       C    -0.12    -0.46     6.78     -26.09      -0.18    -0.64     16
  15       C    -0.17    -0.46     2.96     -89.74      -0.27    -0.73     16
  16       C     0.39     0.98     9.53      37.16       0.35     1.33     16
  17       O    -0.71    -9.98    16.53     -57.73      -0.95   -10.93     16
  18       O    -0.74   -11.25    17.78     -57.73      -1.03   -12.28     16
  19       C    -0.10    -0.09     6.42     -26.08      -0.17    -0.26     16
  20       C    -0.11    -0.73     5.20     -26.69      -0.14    -0.87     16
  21       C     0.09     0.77     4.78      -3.67      -0.02     0.75     16
  22       C     0.11     1.97     8.53     -17.17      -0.15     1.82     16
  23       N    -0.45   -10.41    10.06      -9.50      -0.10   -10.51     16
  24       H     0.15     3.14     7.62     -52.49      -0.40     2.74     16
  25       H     0.14     2.08     8.06     -52.49      -0.42     1.66     16
  26       H     0.10     0.85     6.97     -51.93      -0.36     0.49     16
  27       H     0.07     0.34     8.06     -51.93      -0.42    -0.08     16
  28       H     0.08     0.49     8.14     -51.93      -0.42     0.06     16
  29       H     0.08     0.17     8.12     -51.93      -0.42    -0.25     16
  30       H     0.09     0.20     7.85     -51.93      -0.41    -0.21     16
  31       H     0.09     0.56     8.09     -51.93      -0.42     0.14     16
  32       H     0.15     0.73     7.19     -51.93      -0.37     0.36     16
  33       H     0.14    -0.14     8.14     -51.93      -0.42    -0.56     16
  34       H     0.14    -0.12     7.84     -51.93      -0.41    -0.53     16
  35       H     0.33     4.26     8.90      45.56       0.41     4.67     16
  36       H     0.33     4.43     8.90      45.56       0.41     4.83     16
  37       H     0.10     0.09     7.33     -51.93      -0.38    -0.30     16
  38       H     0.10    -0.15     8.03     -51.93      -0.42    -0.57     16
  39       H     0.08     0.49     7.30     -51.93      -0.38     0.11     16
  40       H     0.08     0.63     8.14     -51.93      -0.42     0.21     16
  41       H     0.10     1.12     4.55     -51.93      -0.24     0.89     16
  42       H     0.07     0.44     7.42     -51.93      -0.39     0.06     16
  43       H     0.15     2.06     6.51     -52.48      -0.34     1.71     16
 Total:         -1.00   -48.65   355.08                 -6.60   -55.25