REAL300018493438.mol2 44                                                        
   1       O    -0.67    -5.09    16.46     -20.23      -0.33    -5.42     16
   2       C     0.49     2.61     6.11      36.00       0.22     2.83     16
   3       O    -0.63    -7.64    18.00     -20.22      -0.36    -8.00     16
   4       C    -0.05     0.23     2.25     -68.87      -0.15     0.08     16
   5       C    -0.12     0.54     4.34     -26.73      -0.12     0.43     16
   6       C    -0.10     0.59     2.11     -90.20      -0.19     0.40     16
   7       C    -0.09     0.41     4.97     -27.97      -0.14     0.27     16
   8       C    -0.16     0.46     9.81     -35.90      -0.35     0.11     16
   9       C    -0.15     0.39     9.80     -35.90      -0.35     0.04     16
  10       C    -0.09     0.34     6.12     -28.18      -0.17     0.17     16
  11       C    -0.12     0.50     5.29     -26.51      -0.14     0.36     16
  12       N    -0.49     4.99     1.50    -109.22      -0.16     4.83     16
  13       H     0.43    -4.65     7.98     -39.29      -0.31    -4.97     16
  14       H     0.41    -5.55     6.69     -39.29      -0.26    -5.81     16
  15       C     0.05    -0.48     5.21      -4.98      -0.03    -0.51     16
  16       C    -0.11     1.06     5.35    -104.67      -0.56     0.50     16
  17       C    -0.08     0.75     9.70     -39.48      -0.38     0.37     16
  18       C    -0.07     0.63    10.03     -39.63      -0.40     0.23     16
  19       C    -0.08     0.51     9.75     -39.25      -0.38     0.13     16
  20       C     0.31    -1.09     9.80     -38.72      -0.38    -1.47     16
  21       O    -0.66    -2.80    17.25     -57.73      -1.00    -3.79     16
  22       O    -0.65    -3.08    17.25     -57.73      -1.00    -4.07     16
  23       C    -0.09     0.68     9.40     -39.24      -0.37     0.31     16
  24       H     0.13    -0.71     6.62     -51.93      -0.34    -1.05     16
  25       H     0.11    -0.19     8.10     -51.93      -0.42    -0.61     16
  26       H     0.09    -0.43     8.14     -51.93      -0.42    -0.85     16
  27       H     0.06    -0.54     6.40     -51.93      -0.33    -0.87     16
  28       H     0.07    -0.42     7.07     -51.93      -0.37    -0.79     16
  29       H     0.09    -0.27     8.07     -51.93      -0.42    -0.69     16
  30       H     0.11    -0.29     8.06     -52.49      -0.42    -0.71     16
  31       H     0.10    -0.26     8.06     -52.49      -0.42    -0.68     16
  32       H     0.07    -0.32     8.14     -51.93      -0.42    -0.74     16
  33       H     0.08    -0.25     8.14     -51.93      -0.42    -0.68     16
  34       H     0.07    -0.22     8.12     -51.93      -0.42    -0.64     16
  35       H     0.07    -0.35     8.14     -51.93      -0.42    -0.77     16
  36       H     0.14    -1.61     8.05     -51.93      -0.42    -2.03     16
  37       H     0.16    -1.13     6.67     -51.93      -0.35    -1.48     16
  38       H     0.17    -1.78     8.06     -52.49      -0.42    -2.21     16
  39       H     0.18    -1.95     8.06     -52.49      -0.42    -2.38     16
  40       H     0.18    -0.96     7.77     -52.49      -0.41    -1.37     16
  41       H     0.34     0.78     8.90      45.56       0.41     1.18     16
  42       H     0.34     0.84     8.90      45.56       0.41     1.25     16
  43       H     0.18    -1.35     7.77     -52.49      -0.41    -1.76     16
 Total:          0.00   -27.09   352.45                 -8.47   -35.56