REAL300009850803.mol2 49                                                        
   1       O    -0.68   -20.35    13.40     -20.23      -0.27   -20.62     16
   2       C     0.51    14.73     5.05      36.01       0.18    14.91     16
   3       O    -0.68   -21.94    17.58     -20.23      -0.36   -22.30     16
   4       C    -0.15    -3.56     0.43    -156.63      -0.07    -3.63     16
   5       C     0.56    12.23     4.53     -10.99      -0.05    12.18     16
   6       O    -0.56   -13.09    13.39       5.56       0.07   -13.01     16
   7       N    -0.60   -10.65     2.82    -172.67      -0.49   -11.14     16
   8       C     0.11     1.55     6.30      -3.67      -0.02     1.52     16
   9       C    -0.11    -1.31     5.25     -26.69      -0.14    -1.45     16
  10       C    -0.07    -0.71     0.75    -154.34      -0.12    -0.83     16
  11       C    -0.10    -0.59     6.41     -26.08      -0.17    -0.76     16
  12       C    -0.17    -1.23     2.96     -89.74      -0.27    -1.50     16
  13       C     0.39     2.30     9.53      37.16       0.35     2.66     16
  14       O    -0.70   -12.07    16.53     -57.73      -0.95   -13.02     16
  15       O    -0.75   -13.36    17.78     -57.73      -1.03   -14.39     16
  16       C    -0.12    -1.14     6.78     -26.08      -0.18    -1.32     16
  17       C    -0.11    -1.68     4.99     -26.69      -0.13    -1.81     16
  18       C     0.12     1.94     3.55      -3.67      -0.01     1.92     16
  19       C    -0.14    -2.74     4.54     -26.49      -0.12    -2.86     16
  20       C     0.06     1.07     6.62      37.31       0.25     1.32     16
  21       O    -0.39    -7.32    10.77     -35.23      -0.38    -7.70     16
  22       C     0.05     1.02     6.56      37.21       0.24     1.27     16
  23       C    -0.11    -2.49     4.49     -26.59      -0.12    -2.61     16
  24       H     0.09     1.35     6.98     -51.92      -0.36     0.99     16
  25       H     0.06     0.61     8.06     -51.93      -0.42     0.19     16
  26       H     0.08     1.13     8.14     -51.93      -0.42     0.71     16
  27       H     0.07     0.55     8.12     -51.93      -0.42     0.13     16
  28       H     0.09     0.27     8.03     -51.93      -0.42    -0.14     16
  29       H     0.10     0.55     7.34     -51.93      -0.38     0.17     16
  30       H     0.15     1.39     7.19     -51.93      -0.37     1.02     16
  31       H     0.13     0.27     8.14     -51.93      -0.42    -0.16     16
  32       H     0.14     0.34     7.84     -51.93      -0.41    -0.07     16
  33       H     0.33     5.13     8.90      45.56       0.41     5.53     16
  34       H     0.32     5.17     8.90      45.56       0.41     5.58     16
  35       H     0.09     1.10     8.09     -51.93      -0.42     0.68     16
  36       H     0.09     0.63     7.85     -51.93      -0.41     0.23     16
  37       H     0.07     0.93     7.30     -51.93      -0.38     0.55     16
  38       H     0.11     2.14     6.49     -51.93      -0.34     1.81     16
  39       H     0.11     2.27     3.16     -51.93      -0.16     2.11     16
  40       H     0.05     0.60     7.34     -51.92      -0.38     0.22     16
  41       H     0.08     1.38     4.77     -51.93      -0.25     1.13     16
  42       H     0.09     1.80     8.03     -51.93      -0.42     1.38     16
  43       H     0.09     1.23     8.14     -51.93      -0.42     0.81     16
  44       H     0.04     0.67     7.38     -51.93      -0.38     0.29     16
  45       H     0.09     1.40     8.14     -51.93      -0.42     0.98     16
  46       H     0.07     1.34     5.95     -51.93      -0.31     1.03     16
  47       H     0.08     1.79     8.03     -51.93      -0.42     1.37     16
  48       H     0.07     1.64     7.97     -51.93      -0.41     1.23     16
 Total:         -1.00   -43.69   357.31                 -6.32   -50.01