REAL300009850840.mol2 42                                                        
   1       O    -0.68   -24.66    17.24     -20.54      -0.35   -25.01     16
   2       C     0.52    17.36     8.01      34.53       0.28    17.63     16
   3       O    -0.69   -24.32    17.24     -20.54      -0.35   -24.68     16
   4       C    -0.14    -3.73     5.87    -105.05      -0.62    -4.35     16
   5       C    -0.06    -1.26     9.59     -39.06      -0.37    -1.64     16
   6       C    -0.15    -2.46    10.01     -39.70      -0.40    -2.86     16
   7       C    -0.11    -1.67     8.07     -39.08      -0.32    -1.99     16
   8       C    -0.16    -3.01     5.67    -105.02      -0.60    -3.61     16
   9       C     0.58    10.08     7.64     -12.32      -0.09     9.99     16
  10       O    -0.53   -11.12    16.93       5.32       0.09   -11.03     16
  11       N    -0.62    -7.31     3.34    -171.75      -0.57    -7.88     16
  12       C     0.10     0.81     5.01      -2.23      -0.01     0.80     16
  13       C    -0.11    -0.55     6.27     -24.99      -0.16    -0.71     16
  14       C    -0.10    -0.38     0.93    -154.50      -0.14    -0.52     16
  15       C    -0.11    -0.43     6.78     -26.45      -0.18    -0.61     16
  16       C    -0.17    -0.30     3.34     -89.59      -0.30    -0.60     16
  17       C     0.39     0.76     9.38      37.16       0.35     1.11     16
  18       O    -0.74   -10.85    17.78     -57.73      -1.03   -11.87     16
  19       O    -0.71    -9.31    16.99     -57.73      -0.98   -10.29     16
  20       C    -0.09    -0.04     6.96     -26.46      -0.18    -0.23     16
  21       C     0.13     1.01     6.37      -3.53      -0.02     0.99     16
  22       C    -0.02    -0.55     9.13     -38.74      -0.35    -0.91     16
  23       H     0.13     2.87     7.64     -52.49      -0.40     2.47     16
  24       H     0.12     1.56     8.06     -52.48      -0.42     1.14     16
  25       H     0.13     1.47     4.57     -52.49      -0.24     1.23     16
  26       H     0.07     0.55     6.82     -51.93      -0.35     0.20     16
  27       H     0.09     0.82     6.82     -51.93      -0.35     0.46     16
  28       H     0.09     0.39     8.14     -51.93      -0.42    -0.03     16
  29       H     0.09     0.32     8.06     -51.93      -0.42    -0.09     16
  30       H     0.10     0.30     7.77     -51.93      -0.40    -0.10     16
  31       H     0.09     0.55     8.12     -51.93      -0.42     0.13     16
  32       H     0.14     0.40     8.14     -51.93      -0.42    -0.02     16
  33       H     0.14    -0.19     8.14     -51.93      -0.42    -0.62     16
  34       H     0.14    -0.17     7.85     -51.93      -0.41    -0.58     16
  35       H     0.33     4.24     8.90      45.56       0.41     4.64     16
  36       H     0.33     3.97     8.90      45.56       0.41     4.38     16
  37       H     0.10    -0.03     8.12     -51.93      -0.42    -0.45     16
  38       H     0.10    -0.14     8.10     -51.93      -0.42    -0.56     16
  39       H     0.07     0.62     8.09     -51.92      -0.42     0.20     16
  40       H     0.07     0.59     7.86     -51.93      -0.41     0.18     16
  41       H     0.14     3.54     7.42     -52.48      -0.39     3.15     16
 Total:         -1.00   -50.27   346.09                 -7.04   -57.31