REAL300009850784.mol2 45                                                        
   1       O    -0.68   -23.54    17.23     -20.52      -0.35   -23.90     16
   2       C     0.52    16.46     8.01      34.64       0.28    16.74     16
   3       O    -0.68   -23.30    17.23     -20.51      -0.35   -23.66     16
   4       C    -0.11    -2.64     5.88    -104.93      -0.62    -3.25     16
   5       C    -0.09    -1.98     9.58     -39.20      -0.38    -2.36     16
   6       C    -0.08    -1.49     9.61     -39.25      -0.38    -1.87     16
   7       C    -0.15    -2.47     5.17    -104.88      -0.54    -3.01     16
   8       C     0.57     8.43     7.33     -12.22      -0.09     8.34     16
   9       O    -0.54    -9.62    16.30       5.35       0.09    -9.53     16
  10       N    -0.61    -6.16     2.94    -173.69      -0.51    -6.67     16
  11       C     0.11     0.84     6.29      -3.66      -0.02     0.81     16
  12       C    -0.11    -0.56     5.20     -26.69      -0.14    -0.70     16
  13       C    -0.07    -0.24     0.76    -154.25      -0.12    -0.36     16
  14       C    -0.11    -0.06     6.42     -26.07      -0.17    -0.23     16
  15       C    -0.18    -0.22     2.48     -89.74      -0.22    -0.44     16
  16       C     0.32     0.59     9.52      37.16       0.35     0.94     16
  17       O    -0.70   -10.15    17.75     -57.73      -1.02   -11.17     16
  18       O    -0.64    -9.31    17.78     -57.73      -1.03   -10.33     16
  19       C    -0.13    -0.34     6.56     -25.99      -0.17    -0.51     16
  20       C    -0.12    -0.62     5.26     -26.69      -0.14    -0.76     16
  21       C     0.09     0.71     4.76      -3.67      -0.02     0.69     16
  22       C    -0.11    -1.75     7.33     -39.24      -0.29    -2.04     16
  23       C    -0.09    -1.90     9.58     -39.20      -0.38    -2.28     16
  24       H     0.13     2.95     7.63     -52.49      -0.40     2.55     16
  25       H     0.12     2.04     8.05     -52.48      -0.42     1.62     16
  26       H     0.10     0.92     6.97     -51.93      -0.36     0.56     16
  27       H     0.07     0.37     7.42     -51.93      -0.39    -0.02     16
  28       H     0.08     0.53     8.14     -51.93      -0.42     0.10     16
  29       H     0.08     0.26     7.31     -51.93      -0.38    -0.12     16
  30       H     0.09     0.04     7.32     -51.93      -0.38    -0.34     16
  31       H     0.10    -0.10     8.04     -51.93      -0.42    -0.52     16
  32       H     0.14     0.23     6.44     -51.93      -0.33    -0.10     16
  33       H     0.14    -0.17     8.14     -51.93      -0.42    -0.60     16
  34       H     0.14    -0.11     7.87     -51.93      -0.41    -0.52     16
  35       H     0.30     3.05     6.22      45.56       0.28     3.33     16
  36       H     0.34     4.68     9.20      45.56       0.42     5.10     16
  37       H     0.10     0.19     7.87     -51.93      -0.41    -0.22     16
  38       H     0.09     0.36     8.04     -51.93      -0.42    -0.06     16
  39       H     0.08     0.28     8.12     -51.93      -0.42    -0.14     16
  40       H     0.08     0.54     8.14     -51.93      -0.42     0.12     16
  41       H     0.11     1.06     4.56     -51.93      -0.24     0.83     16
  42       H     0.07     0.38     8.05     -51.93      -0.42    -0.04     16
  43       H     0.12     1.47     6.48     -52.49      -0.34     1.13     16
  44       H     0.13     2.71     7.63     -52.49      -0.40     2.31     16
 Total:         -1.00   -47.64   356.65                 -7.54   -55.18