REAL300009850719.mol2 44                                                        
   1       O    -0.70   -25.40    18.00     -20.23      -0.36   -25.77     16
   2       C     0.50    16.14     6.99      36.01       0.25    16.39     16
   3       O    -0.69   -24.67    17.29     -20.23      -0.35   -25.02     16
   4       C    -0.15    -3.61     2.58     -91.77      -0.24    -3.85     16
   5       H     0.06     1.36     8.14     -51.93      -0.42     0.94     16
   6       C    -0.10    -1.96     5.18     -26.73      -0.14    -2.10     16
   7       C    -0.11    -1.52     5.92     -26.74      -0.16    -1.68     16
   8       C    -0.11    -1.22     5.10     -26.73      -0.14    -1.36     16
   9       C    -0.11    -1.43     2.54     -91.74      -0.23    -1.66     16
  10       H     0.10     1.16     8.14     -51.93      -0.42     0.74     16
  11       C     0.52     6.59     6.87     -10.99      -0.08     6.51     16
  12       O    -0.50    -8.36    13.66       5.55       0.08    -8.29     16
  13       N    -0.68    -5.54     5.24      -9.88      -0.05    -5.59     16
  14       C     0.19     1.57     6.25     -83.75      -0.52     1.05     16
  15       C    -0.15    -0.84     9.69     -38.96      -0.38    -1.22     16
  16       C    -0.03    -0.17     5.74    -106.77      -0.61    -0.78     16
  17       C    -0.06    -0.24     9.73     -39.53      -0.38    -0.62     16
  18       C    -0.11    -0.71     9.65     -39.64      -0.38    -1.10     16
  19       C     0.32     3.03     9.78     -38.67      -0.38     2.65     16
  20       O    -0.68   -10.72    17.20     -57.73      -0.99   -11.71     16
  21       O    -0.68   -10.92    17.19     -57.73      -0.99   -11.91     16
  22       C    -0.08    -0.61     9.49     -38.78      -0.37    -0.98     16
  23       C    -0.04    -0.28     5.74    -106.81      -0.61    -0.90     16
  24       C    -0.07    -0.53     9.74     -39.48      -0.38    -0.92     16
  25       C    -0.10    -0.90     8.55     -39.76      -0.34    -1.24     16
  26       C    -0.07    -1.50     3.50     -26.70      -0.09    -1.59     16
  27       H     0.06     1.29     8.14     -51.93      -0.42     0.87     16
  28       H     0.06     1.19     8.14     -51.92      -0.42     0.77     16
  29       H     0.06     0.76     8.14     -51.93      -0.42     0.33     16
  30       H     0.06     0.70     8.14     -51.93      -0.42     0.27     16
  31       H     0.06     0.43     7.46     -51.93      -0.39     0.04     16
  32       H     0.07     0.88     8.14     -51.93      -0.42     0.46     16
  33       H     0.42     1.95     8.09     -40.82      -0.33     1.62     16
  34       H     0.14     0.39     8.06     -52.48      -0.42    -0.03     16
  35       H     0.17     0.11     8.06     -52.49      -0.42    -0.31     16
  36       H     0.17     1.02     7.73     -52.48      -0.41     0.62     16
  37       H     0.33     4.31     8.90      45.56       0.41     4.72     16
  38       H     0.33     4.40     8.90      45.56       0.41     4.81     16
  39       H     0.18     1.35     7.73     -52.49      -0.41     0.94     16
  40       H     0.15     0.80     8.06     -52.49      -0.42     0.37     16
  41       H     0.15     1.63     6.41     -52.48      -0.34     1.29     16
  42       H     0.06     1.33     8.10     -51.93      -0.42     0.91     16
  43       H     0.08     1.76     7.83     -51.93      -0.41     1.35     16
 Total:         -1.00   -46.99   363.95                 -8.49   -55.47