REAL300009850758.mol2 45                                                        
   1       O    -0.70   -25.56    16.88     -20.22      -0.34   -25.90     16
   2       C     0.49    16.81     8.05      36.01       0.29    17.10     16
   3       O    -0.71   -26.82    18.00     -20.23      -0.36   -27.18     16
   4       C    -0.18    -4.77     5.69     -27.88      -0.16    -4.93     16
   5       C    -0.09    -1.89     4.14     -26.73      -0.11    -2.00     16
   6       C     0.07     1.23     3.28     -25.79      -0.08     1.15     16
   7       C    -0.14    -1.90     6.23     -24.99      -0.16    -2.06     16
   8       C    -0.15    -1.46     2.56     -90.20      -0.23    -1.70     16
   9       C     0.53     5.03     6.97     -10.99      -0.08     4.95     16
  10       O    -0.52    -6.70    14.70       5.55       0.08    -6.62     16
  11       N    -0.61    -3.41     2.97    -172.79      -0.51    -3.93     16
  12       C     0.09     0.35     5.68      -3.71      -0.02     0.33     16
  13       C    -0.13    -0.50     6.08     -26.61      -0.16    -0.67     16
  14       C    -0.12    -0.46     5.02     -26.69      -0.13    -0.59     16
  15       C    -0.16    -0.48     2.05     -90.51      -0.19    -0.66     16
  16       C     0.39     0.75     9.01      37.16       0.33     1.08     16
  17       O    -0.71    -8.56    14.56     -57.73      -0.84    -9.40     16
  18       O    -0.73   -10.05    17.78     -57.73      -1.03   -11.08     16
  19       C     0.13     0.38     5.71      -3.73      -0.02     0.36     16
  20       C     0.06     0.58     6.01      37.94       0.23     0.81     16
  21       O    -0.36    -5.78    11.00     -35.23      -0.39    -6.17     16
  22       H     0.06     1.61     7.91     -51.93      -0.41     1.20     16
  23       H     0.05     1.33     8.14     -51.93      -0.42     0.91     16
  24       H     0.08     1.67     8.10     -51.93      -0.42     1.25     16
  25       H     0.07     1.61     8.10     -51.93      -0.42     1.18     16
  26       H     0.07     1.09     8.14     -51.92      -0.42     0.67     16
  27       H     0.10     1.38     6.50     -51.93      -0.34     1.04     16
  28       H     0.09     1.17     7.88     -51.93      -0.41     0.76     16
  29       H     0.11     0.92     7.68     -51.93      -0.40     0.52     16
  30       H     0.10     0.37     4.41     -51.93      -0.23     0.14     16
  31       H     0.08     0.18     8.14     -51.93      -0.42    -0.24     16
  32       H     0.07     0.39     8.14     -51.93      -0.42    -0.04     16
  33       H     0.09     0.25     8.14     -51.93      -0.42    -0.17     16
  34       H     0.11     0.73     5.86     -51.93      -0.30     0.42     16
  35       H     0.07     0.12     8.14     -51.93      -0.42    -0.30     16
  36       H     0.13     0.68     8.03     -51.93      -0.42     0.26     16
  37       H     0.14    -0.17     8.14     -51.93      -0.42    -0.59     16
  38       H     0.14    -0.27     8.14     -51.93      -0.42    -0.69     16
  39       H     0.33     3.66     8.90      45.56       0.41     4.06     16
  40       H     0.33     3.97     8.90      45.56       0.41     4.38     16
  41       H     0.08     0.02     8.14     -51.93      -0.42    -0.41     16
  42       H     0.11     0.40     7.01     -51.93      -0.36     0.03     16
  43       H     0.10     0.71     6.75     -51.93      -0.35     0.36     16
  44       H     0.06     0.57     7.86     -51.93      -0.41     0.16     16
 Total:         -1.00   -50.82   349.55                 -6.08   -56.90