REAL300018556931.mol2 44                                                        
   1       C     0.02     0.07     9.81     101.05       0.99     1.06     16
   2       O    -0.26    -2.91     8.56     -40.42      -0.35    -3.25     16
   3       C     0.19     1.64     6.70     -38.63      -0.26     1.38     16
   4       C    -0.22    -0.50     9.03     -39.48      -0.36    -0.85     16
   5       C    -0.09     0.23     9.29     -39.52      -0.37    -0.14     16
   6       C    -0.21     0.63     4.84    -104.68      -0.51     0.12     16
   7       C     0.10    -0.97     2.63     -68.87      -0.18    -1.15     16
   8       H     0.14    -1.62     7.93     -51.93      -0.41    -2.03     16
   9       C    -0.16     1.41     7.71      37.16       0.29     1.70     16
  10       N    -0.50     7.23     1.25    -109.22      -0.14     7.10     16
  11       H     0.43    -5.85     5.44     -39.29      -0.21    -6.07     16
  12       H     0.42    -7.14     8.59     -39.29      -0.34    -7.48     16
  13       C     0.04    -0.59     4.40      -4.97      -0.02    -0.61     16
  14       C    -0.14     1.94     5.38    -104.29      -0.56     1.38     16
  15       C    -0.06     0.90     9.66     -39.63      -0.38     0.52     16
  16       C    -0.10     1.52    10.04     -39.49      -0.40     1.12     16
  17       C    -0.05     0.62    10.03     -39.63      -0.40     0.22     16
  18       C    -0.11     1.23     9.75     -39.25      -0.38     0.85     16
  19       C     0.31    -3.31     9.76     -38.73      -0.38    -3.69     16
  20       O    -0.60     1.53    17.25     -57.73      -1.00     0.54     16
  21       O    -0.71     5.60     9.71     -57.73      -0.56     5.04     16
  22       C    -0.02    -0.08     9.20     -39.15      -0.36    -0.44     16
  23       C    -0.15    -1.82     5.88    -104.88      -0.62    -2.44     16
  24       C     0.52    10.83     8.00      34.35       0.27    11.10     16
  25       O    -0.69   -16.10    17.24     -20.58      -0.35   -16.46     16
  26       O    -0.66   -16.32    16.06     -27.57      -0.44   -16.76     16
  27       H     0.05     0.11     7.66     -51.93      -0.40    -0.29     16
  28       H     0.05     0.08     7.66     -51.93      -0.40    -0.31     16
  29       H     0.10     0.35     8.14     -51.92      -0.42    -0.07     16
  30       H     0.13     0.00     6.30     -52.48      -0.33    -0.33     16
  31       H     0.11    -0.79     6.72     -52.49      -0.35    -1.15     16
  32       H     0.10    -0.61     8.14     -51.93      -0.42    -1.03     16
  33       H     0.08    -0.80     6.14     -51.93      -0.32    -1.12     16
  34       H     0.08    -0.67     7.02     -51.93      -0.36    -1.03     16
  35       H     0.14    -2.55     7.97     -51.93      -0.41    -2.96     16
  36       H     0.17    -2.24     4.12     -51.93      -0.21    -2.45     16
  37       H     0.18    -3.16     8.03     -52.49      -0.42    -3.59     16
  38       H     0.17    -2.67     8.06     -52.49      -0.42    -3.09     16
  39       H     0.17    -2.63     8.06     -52.48      -0.42    -3.05     16
  40       H     0.18    -1.84     7.77     -52.49      -0.41    -2.25     16
  41       H     0.35    -1.56     8.90      45.56       0.41    -1.16     16
  42       H     0.35    -2.53     8.75      45.56       0.40    -2.13     16
  43       H     0.14     0.66     7.61     -52.49      -0.40     0.26     16
 Total:          0.00   -42.67   351.24                 -7.03   -49.70