REAL300018120312.mol2 44                                                        
   1       O    -0.67    -6.76    16.46     -20.23      -0.33    -7.09     16
   2       C     0.49     4.07     6.11      36.00       0.22     4.29     16
   3       O    -0.64    -9.25    18.00     -20.23      -0.36    -9.61     16
   4       C    -0.05     0.01     2.23     -68.86      -0.15    -0.15     16
   5       C    -0.12     0.16     4.34     -26.73      -0.12     0.04     16
   6       C    -0.13     0.35     2.25     -90.48      -0.20     0.15     16
   7       C    -0.12     0.28     5.31     -26.55      -0.14     0.14     16
   8       C    -0.16     0.33     6.14     -26.59      -0.16     0.17     16
   9       C     0.06    -0.05     6.84      37.21       0.25     0.20     16
  10       O    -0.38    -0.27    10.77     -35.23      -0.38    -0.65     16
  11       C     0.06    -0.05     5.82      37.21       0.22     0.16     16
  12       N    -0.48     2.42     1.34    -109.23      -0.15     2.27     16
  13       H     0.42    -2.76     7.98     -39.29      -0.31    -3.08     16
  14       H     0.42    -2.64     5.05     -39.29      -0.20    -2.84     16
  15       C     0.05    -0.23     4.36      -4.98      -0.02    -0.25     16
  16       C    -0.13     0.85     5.38    -104.29      -0.56     0.29     16
  17       C    -0.05     0.44     9.66     -39.62      -0.38     0.06     16
  18       C    -0.11     1.01    10.04     -39.48      -0.40     0.61     16
  19       C    -0.05     0.48    10.03     -39.63      -0.40     0.09     16
  20       C    -0.11     0.76     9.75     -39.25      -0.38     0.38     16
  21       C     0.31    -1.57     9.76     -38.73      -0.38    -1.95     16
  22       O    -0.71     0.91    12.24     -57.73      -0.71     0.20     16
  23       O    -0.61    -1.14    17.25     -57.73      -1.00    -2.13     16
  24       H     0.13     0.00     6.35     -51.93      -0.33    -0.33     16
  25       H     0.11     0.08     8.14     -51.93      -0.42    -0.34     16
  26       H     0.09    -0.18     8.14     -51.93      -0.42    -0.60     16
  27       H     0.07    -0.28     6.43     -51.93      -0.33    -0.61     16
  28       H     0.07    -0.22     8.14     -51.93      -0.42    -0.64     16
  29       H     0.07    -0.13     8.14     -51.93      -0.42    -0.56     16
  30       H     0.07    -0.13     8.14     -51.93      -0.42    -0.56     16
  31       H     0.08    -0.21     8.14     -51.93      -0.42    -0.63     16
  32       H     0.10    -0.15     8.14     -51.93      -0.42    -0.58     16
  33       H     0.05    -0.06     8.14     -51.93      -0.42    -0.48     16
  34       H     0.06    -0.01     8.14     -51.93      -0.42    -0.44     16
  35       H     0.10    -0.12     6.49     -51.93      -0.34    -0.46     16
  36       H     0.16    -0.51     5.77     -51.93      -0.30    -0.80     16
  37       H     0.15    -0.45     6.59     -51.93      -0.34    -0.79     16
  38       H     0.18    -1.67     8.03     -52.49      -0.42    -2.09     16
  39       H     0.17    -1.91     8.06     -52.49      -0.42    -2.34     16
  40       H     0.17    -2.01     8.06     -52.49      -0.42    -2.43     16
  41       H     0.18    -1.15     7.77     -52.49      -0.41    -1.56     16
  42       H     0.34    -0.35     8.90      45.56       0.41     0.06     16
  43       H     0.35     0.03     8.90      45.56       0.41     0.44     16
 Total:          0.00   -22.08   341.75                 -7.21   -29.29