REAL300009850719.mol2 44                                                        
   1       O    -0.75   -56.30    18.00      19.04       0.34   -55.95     16
   2       C     0.47    31.47     6.99      71.24       0.50    31.97     16
   3       O    -0.74   -55.09    17.29      19.04       0.33   -54.76     16
   4       C    -0.14    -6.49     2.58     -11.54      -0.03    -6.52     16
   5       H     0.08     3.31     8.14      -2.39      -0.02     3.29     16
   6       C    -0.10    -3.82     5.18      30.59       0.16    -3.66     16
   7       C    -0.10    -2.11     5.92      30.59       0.18    -1.93     16
   8       C    -0.10    -1.68     5.10      30.59       0.16    -1.53     16
   9       C    -0.09    -2.18     2.54     -11.52      -0.03    -2.21     16
  10       H     0.13     2.27     8.14      -2.39      -0.02     2.25     16
  11       C     0.53    11.49     6.87      87.66       0.60    12.10     16
  12       O    -0.55   -18.18    13.66      -3.05      -0.04   -18.22     16
  13       N    -0.65    -6.65     5.24    -303.58      -1.59    -8.24     16
  14       C     0.17     1.86     6.25      38.24       0.24     2.10     16
  15       C    -0.11    -0.36     9.69      22.67       0.22    -0.14     16
  16       C    -0.03    -0.17     5.74     -21.25      -0.12    -0.29     16
  17       C    -0.01     0.00     9.73      22.31       0.22     0.21     16
  18       C    -0.12    -1.00     9.65      22.23       0.21    -0.79     16
  19       C     0.32     5.73     9.78      22.86       0.22     5.96     16
  20       O    -0.73   -24.59    17.20    -127.47      -2.19   -26.78     16
  21       O    -0.76   -27.42    17.19    -127.47      -2.19   -29.61     16
  22       C    -0.08    -1.16     9.49      22.79       0.22    -0.94     16
  23       C    -0.04    -0.40     5.74     -21.28      -0.12    -0.52     16
  24       C    -0.08    -1.00     9.74      22.33       0.22    -0.78     16
  25       C    -0.11    -1.83     8.55      22.16       0.19    -1.64     16
  26       C    -0.07    -2.72     3.50      30.61       0.11    -2.62     16
  27       H     0.04     1.66     8.14      -2.39      -0.02     1.65     16
  28       H     0.05     1.81     8.14      -2.38      -0.02     1.79     16
  29       H     0.09     1.46     8.14      -2.39      -0.02     1.44     16
  30       H     0.09     1.46     8.14      -2.39      -0.02     1.44     16
  31       H     0.12     0.56     7.46      -2.39      -0.02     0.55     16
  32       H     0.06     1.15     8.14      -2.39      -0.02     1.13     16
  33       H     0.44     0.31     8.09     -92.71      -0.75    -0.44     16
  34       H     0.20    -1.19     8.06      -2.91      -0.02    -1.21     16
  35       H     0.23    -2.25     8.06      -2.91      -0.02    -2.28     16
  36       H     0.18     1.43     7.73      -2.91      -0.02     1.41     16
  37       H     0.33     9.86     8.90     -74.06      -0.66     9.20     16
  38       H     0.33    10.49     8.90     -74.06      -0.66     9.83     16
  39       H     0.17     2.80     7.73      -2.91      -0.02     2.78     16
  40       H     0.15     1.65     8.06      -2.91      -0.02     1.62     16
  41       H     0.13     2.71     6.41      -2.91      -0.02     2.70     16
  42       H     0.03     1.42     8.10      -2.39      -0.02     1.40     16
  43       H     0.04     1.91     7.83      -2.39      -0.02     1.89     16
 Total:         -1.00  -119.74   363.95                 -4.60  -124.35