REAL300009850852.mol2 43                                                        
   1       O    -0.68   -20.67    14.28     -20.23      -0.29   -20.96     16
   2       C     0.52    15.13     5.94      36.00       0.21    15.34     16
   3       O    -0.68   -21.91    17.04     -20.22      -0.34   -22.26     16
   4       C    -0.15    -3.71     0.52    -155.10      -0.08    -3.79     16
   5       C     0.58    13.54     6.14     -10.99      -0.07    13.47     16
   6       O    -0.56   -14.25    15.79       5.56       0.09   -14.17     16
   7       N    -0.60   -11.60     3.09    -170.79      -0.53   -12.13     16
   8       C     0.08     1.42     5.50      -2.86      -0.02     1.41     16
   9       C    -0.11    -1.28     6.34     -25.50      -0.16    -1.44     16
  10       C    -0.09    -0.98     0.93    -154.50      -0.14    -1.13     16
  11       C    -0.11    -0.89     6.92     -26.53      -0.18    -1.07     16
  12       C    -0.17    -1.34     3.38     -89.56      -0.30    -1.64     16
  13       C     0.39     2.55     9.38      37.16       0.35     2.89     16
  14       O    -0.75   -13.49    17.78     -57.73      -1.03   -14.52     16
  15       O    -0.71   -11.83    16.99     -57.73      -0.98   -12.81     16
  16       C    -0.08    -0.72     6.96     -26.54      -0.18    -0.90     16
  17       C     0.13     1.99     6.18      -3.02      -0.02     1.98     16
  18       C    -0.07    -1.49     5.38     -26.77      -0.14    -1.63     16
  19       C    -0.18    -3.34    10.78     -35.65      -0.38    -3.72     16
  20       C    -0.15    -2.89    10.78     -35.70      -0.38    -3.28     16
  21       C    -0.07    -1.64     5.71     -26.83      -0.15    -1.79     16
  22       H     0.11     2.38     5.16     -51.93      -0.27     2.11     16
  23       H     0.06     0.97     5.98     -51.93      -0.31     0.66     16
  24       H     0.08     0.78     7.99     -51.93      -0.42     0.36     16
  25       H     0.08     0.74     8.14     -51.93      -0.42     0.32     16
  26       H     0.10     0.59     7.90     -51.93      -0.41     0.17     16
  27       H     0.09     0.90     8.12     -51.93      -0.42     0.48     16
  28       H     0.14     1.35     8.14     -51.93      -0.42     0.92     16
  29       H     0.14     0.49     8.14     -51.93      -0.42     0.07     16
  30       H     0.14     0.34     7.85     -51.93      -0.41    -0.07     16
  31       H     0.32     5.20     8.90      45.56       0.41     5.61     16
  32       H     0.32     4.95     8.90      45.56       0.41     5.36     16
  33       H     0.11     1.19     8.13     -51.93      -0.42     0.77     16
  34       H     0.10     0.59     8.01     -51.93      -0.42     0.17     16
  35       H     0.07     0.96     8.14     -51.93      -0.42     0.53     16
  36       H     0.08     1.21     8.00     -51.93      -0.42     0.80     16
  37       H     0.06     1.16     5.63     -51.93      -0.29     0.87     16
  38       H     0.09     1.95     7.53     -51.93      -0.39     1.56     16
  39       H     0.12     1.76     8.06     -52.49      -0.42     1.34     16
  40       H     0.12     1.88     8.06     -52.49      -0.42     1.46     16
  41       H     0.09     2.04     7.57     -51.93      -0.39     1.65     16
  42       H     0.08     1.80     6.97     -51.93      -0.36     1.43     16
 Total:         -1.00   -44.18   337.12                 -6.31   -50.50