REAL300009850844.mol2 45                                                        
   1       O    -0.70   -25.42    16.64     -20.23      -0.34   -25.75     16
   2       C     0.50    16.90     7.36      36.00       0.27    17.16     16
   3       O    -0.70   -26.15    17.98     -20.23      -0.36   -26.51     16
   4       C    -0.16    -4.02     3.37     -89.77      -0.30    -4.32     16
   5       H     0.07     1.59     8.14     -51.93      -0.42     1.17     16
   6       C    -0.10    -2.12     5.89     -25.08      -0.15    -2.26     16
   7       C    -0.11    -1.76     4.64     -25.62      -0.12    -1.88     16
   8       C    -0.11    -1.81     2.80     -90.66      -0.25    -2.07     16
   9       H     0.09     1.30     8.14     -51.93      -0.42     0.87     16
  10       C     0.54     8.84     7.00     -10.99      -0.08     8.76     16
  11       O    -0.53   -10.97    15.75       5.56       0.09   -10.89     16
  12       N    -0.63    -7.08     3.29    -170.57      -0.56    -7.64     16
  13       C     0.09     0.73     6.48      -2.34      -0.02     0.71     16
  14       C    -0.11    -0.54     6.26     -25.10      -0.16    -0.69     16
  15       C    -0.09    -0.39     0.94    -154.49      -0.14    -0.53     16
  16       C    -0.12    -0.44     6.86     -26.46      -0.18    -0.62     16
  17       C    -0.17    -0.35     3.19     -89.58      -0.29    -0.64     16
  18       C     0.39     0.82     9.53      37.16       0.35     1.17     16
  19       O    -0.71    -9.40    16.53     -57.73      -0.95   -10.36     16
  20       O    -0.74   -10.81    17.78     -57.73      -1.03   -11.84     16
  21       C    -0.09    -0.07     6.96     -26.45      -0.18    -0.25     16
  22       C     0.12     1.01     6.39      -3.38      -0.02     0.99     16
  23       C    -0.08    -1.87     5.57     -25.06      -0.14    -2.01     16
  24       H     0.06     1.16     8.14     -51.93      -0.42     0.74     16
  25       H     0.07     1.79     7.46     -51.93      -0.39     1.41     16
  26       H     0.07     0.82     7.86     -51.93      -0.41     0.41     16
  27       H     0.06     0.84     6.89     -51.93      -0.36     0.48     16
  28       H     0.07     0.50     8.14     -51.93      -0.42     0.07     16
  29       H     0.09     0.71     5.23     -51.93      -0.27     0.44     16
  30       H     0.09     0.39     8.14     -51.93      -0.42    -0.03     16
  31       H     0.09     0.34     8.06     -51.93      -0.42    -0.08     16
  32       H     0.09     0.53     8.12     -51.93      -0.42     0.11     16
  33       H     0.10     0.29     7.77     -51.93      -0.40    -0.11     16
  34       H     0.15     0.53     7.73     -51.93      -0.40     0.13     16
  35       H     0.14    -0.12     7.85     -51.93      -0.41    -0.53     16
  36       H     0.14    -0.22     8.14     -51.93      -0.42    -0.64     16
  37       H     0.33     3.97     8.90      45.56       0.41     4.38     16
  38       H     0.33     4.25     8.90      45.56       0.41     4.65     16
  39       H     0.10    -0.10     8.10     -51.93      -0.42    -0.52     16
  40       H     0.10     0.01     8.12     -51.93      -0.42    -0.41     16
  41       H     0.07     0.64     8.09     -51.93      -0.42     0.22     16
  42       H     0.07     0.60     7.86     -51.93      -0.41     0.19     16
  43       H     0.08     2.06     6.79     -51.93      -0.35     1.71     16
  44       H     0.06     1.41     8.14     -51.92      -0.42     0.98     16
 Total:         -1.00   -51.64   351.94                 -6.91   -58.55