REAL300018593509.mol2 44                                                        
   1       O    -0.67    -6.78    16.02     -20.23      -0.32    -7.10     16
   2       C     0.50     4.16     5.98      36.00       0.22     4.37     16
   3       O    -0.63    -8.62    16.15     -20.23      -0.33    -8.95     16
   4       C    -0.03    -0.04     1.89     -68.87      -0.13    -0.17     16
   5       N    -0.48     1.69     1.23    -109.22      -0.13     1.56     16
   6       H     0.41    -2.17     8.03     -39.29      -0.32    -2.49     16
   7       H     0.42    -1.76     3.89     -39.29      -0.15    -1.91     16
   8       C     0.05    -0.19     4.26      -4.97      -0.02    -0.21     16
   9       C    -0.13     0.80     5.39    -104.29      -0.56     0.24     16
  10       C    -0.05     0.43     9.66     -39.63      -0.38     0.05     16
  11       C    -0.11     1.01    10.04     -39.48      -0.40     0.61     16
  12       C    -0.05     0.49    10.03     -39.63      -0.40     0.09     16
  13       C    -0.11     0.75     9.76     -39.25      -0.38     0.37     16
  14       C     0.32    -1.47     9.67     -38.72      -0.37    -1.84     16
  15       O    -0.61    -1.17    17.27     -57.73      -1.00    -2.17     16
  16       O    -0.70     0.45    12.08     -57.73      -0.70    -0.25     16
  17       C    -0.05    -0.05     2.63     -90.74      -0.24    -0.28     16
  18       C    -0.12    -0.31     6.44     -25.32      -0.16    -0.47     16
  19       C    -0.09    -0.10     6.76     -26.85      -0.18    -0.28     16
  20       C    -0.08    -0.06     6.14    -104.21      -0.64    -0.70     16
  21       C    -0.10    -0.02    10.04     -39.54      -0.40    -0.42     16
  22       C    -0.11     0.05    10.05     -39.63      -0.40    -0.34     16
  23       C    -0.11     0.10    10.05     -39.62      -0.40    -0.29     16
  24       C    -0.11     0.15     8.57     -39.54      -0.34    -0.19     16
  25       C    -0.12     0.00     5.00    -104.21      -0.52    -0.52     16
  26       H     0.13     0.25     8.03     -51.93      -0.42    -0.17     16
  27       H     0.16    -0.37     6.08     -51.93      -0.32    -0.68     16
  28       H     0.15    -0.40     6.48     -51.93      -0.34    -0.73     16
  29       H     0.18    -1.69     8.03     -52.49      -0.42    -2.12     16
  30       H     0.17    -1.94     8.06     -52.49      -0.42    -2.36     16
  31       H     0.17    -2.02     8.06     -52.48      -0.42    -2.44     16
  32       H     0.18    -1.15     7.80     -52.49      -0.41    -1.56     16
  33       H     0.35     0.03     8.91      45.56       0.41     0.43     16
  34       H     0.34    -0.13     8.91      45.56       0.41     0.27     16
  35       H     0.09     0.05     8.14     -51.93      -0.42    -0.37     16
  36       H     0.12     0.67     5.67     -51.93      -0.29     0.38     16
  37       H     0.08     0.16     8.14     -51.93      -0.42    -0.26     16
  38       H     0.08     0.03     8.14     -51.93      -0.42    -0.39     16
  39       H     0.09     0.11     8.14     -51.93      -0.42    -0.31     16
  40       H     0.12    -0.12     8.06     -52.48      -0.42    -0.54     16
  41       H     0.13    -0.25     8.06     -52.48      -0.42    -0.68     16
  42       H     0.12    -0.30     8.06     -52.49      -0.42    -0.73     16
  43       H     0.11    -0.42     7.69     -52.49      -0.40    -0.82     16
 Total:          0.00   -20.14   347.51                 -9.01   -29.16