REAL300009850869.mol2 43                                                        
   1       O    -0.65   -22.33    17.77     -20.67      -0.37   -22.70     16
   2       C     0.56    18.00     8.03      34.07       0.27    18.28     16
   3       O    -0.66   -23.13    18.01     -23.81      -0.43   -23.56     16
   4       C    -0.01    -0.31     7.17     -36.34      -0.26    -0.57     16
   5       C    -0.20    -4.56    10.64     -39.13      -0.42    -4.98     16
   6       C    -0.16    -2.99    10.88     -39.07      -0.42    -3.42     16
   7       C    -0.06    -1.16     7.02     -36.32      -0.25    -1.41     16
   8       C     0.04     0.64     9.64     -37.38      -0.36     0.27     16
   9       C    -0.23    -3.41     9.20     -37.35      -0.34    -3.75     16
  10       C     0.57     7.86     7.78     -12.93      -0.10     7.76     16
  11       O    -0.55    -9.06    16.51       5.21       0.09    -8.98     16
  12       N    -0.62    -6.16     3.34    -172.38      -0.58    -6.73     16
  13       C     0.10     0.71     6.06      -2.87      -0.02     0.69     16
  14       C    -0.12    -0.43     6.34     -25.51      -0.16    -0.60     16
  15       C    -0.10    -0.35     0.92    -154.48      -0.14    -0.49     16
  16       C    -0.11    -0.33     7.01     -26.53      -0.19    -0.51     16
  17       C    -0.17    -0.43     3.22     -89.56      -0.29    -0.72     16
  18       C     0.39     0.84     9.53      37.16       0.35     1.19     16
  19       O    -0.71    -9.58    16.53     -57.73      -0.95   -10.53     16
  20       O    -0.74   -10.86    17.78     -57.73      -1.03   -11.89     16
  21       C    -0.09    -0.12     6.96     -26.53      -0.18    -0.31     16
  22       C     0.13     0.98     6.18      -3.00      -0.02     0.96     16
  23       O    -0.14    -3.39    10.28      -1.79      -0.02    -3.41     16
  24       H     0.15     3.24     8.06     -52.49      -0.42     2.82     16
  25       H     0.15     2.13     8.06     -52.49      -0.42     1.71     16
  26       H     0.15     2.09     7.53     -52.49      -0.40     1.70     16
  27       H     0.13     1.94     7.09     -52.48      -0.37     1.57     16
  28       H     0.08     0.55     8.14     -51.93      -0.42     0.13     16
  29       H     0.08     0.60     8.14     -51.92      -0.42     0.18     16
  30       H     0.09     0.17     7.99     -51.93      -0.42    -0.24     16
  31       H     0.09     0.31     8.14     -51.93      -0.42    -0.11     16
  32       H     0.10     0.11     7.90     -51.93      -0.41    -0.30     16
  33       H     0.09     0.46     8.12     -51.93      -0.42     0.04     16
  34       H     0.15     0.71     7.73     -51.93      -0.40     0.31     16
  35       H     0.14    -0.16     8.14     -51.93      -0.42    -0.58     16
  36       H     0.14    -0.19     7.85     -51.93      -0.41    -0.60     16
  37       H     0.33     4.04     8.90      45.56       0.41     4.45     16
  38       H     0.33     4.26     8.90      45.56       0.41     4.66     16
  39       H     0.10     0.24     8.13     -51.93      -0.42    -0.18     16
  40       H     0.10    -0.13     8.01     -51.93      -0.42    -0.54     16
  41       H     0.08     0.60     8.14     -51.93      -0.42     0.17     16
  42       H     0.08     0.69     8.00     -51.93      -0.42     0.27     16
 Total:         -1.00   -47.92   369.80                 -6.47   -54.39