REAL300018538967.mol2 44                                                        
   1       O    -0.66   -12.33    17.99     -20.23      -0.36   -12.69     16
   2       C     0.49     6.12     6.72      36.00       0.24     6.36     16
   3       O    -0.68    -9.52    15.29     -20.23      -0.31    -9.83     16
   4       C    -0.18    -0.63     2.41     -91.71      -0.22    -0.85     16
   5       H     0.11     0.48     8.13     -51.93      -0.42     0.06     16
   6       C    -0.07    -0.09     4.40     -26.56      -0.12    -0.21     16
   7       C    -0.14     0.37     1.97    -154.53      -0.31     0.06     16
   8       C    -0.17     0.26     9.93     -26.79      -0.27    -0.01     16
   9       C    -0.17     0.38     9.99     -26.82      -0.27     0.12     16
  10       C    -0.09     0.58     5.24     -26.56      -0.14     0.44     16
  11       C    -0.14     0.88     5.19     -26.67      -0.14     0.74     16
  12       C     0.06    -0.15     2.21     -67.77      -0.15    -0.30     16
  13       H     0.13    -0.17     7.96     -51.93      -0.41    -0.58     16
  14       N    -0.49     2.24     1.15    -108.05      -0.12     2.12     16
  15       H     0.45     0.17     4.22     -39.29      -0.17     0.01     16
  16       H     0.41    -2.91     5.05     -39.29      -0.20    -3.11     16
  17       C     0.04    -0.34     4.30      -4.98      -0.02    -0.36     16
  18       C    -0.14     0.97     5.44    -104.29      -0.57     0.41     16
  19       C    -0.06     0.65     9.66     -39.63      -0.38     0.27     16
  20       C    -0.11     1.11    10.04     -39.48      -0.40     0.71     16
  21       C    -0.05     0.45    10.03     -39.63      -0.40     0.05     16
  22       C    -0.11     0.56     9.77     -39.25      -0.38     0.17     16
  23       C     0.30    -0.90     9.38     -38.72      -0.36    -1.27     16
  24       O    -0.68    -2.18    12.72     -57.73      -0.73    -2.92     16
  25       O    -0.58    -3.52    17.35     -57.73      -1.00    -4.52     16
  26       H     0.07     0.05     6.71     -51.93      -0.35    -0.30     16
  27       H     0.08     0.31     8.10     -51.93      -0.42    -0.11     16
  28       H     0.10    -0.01     8.14     -51.93      -0.42    -0.43     16
  29       H     0.10    -0.25     8.14     -51.93      -0.42    -0.67     16
  30       H     0.10    -0.34     8.14     -51.93      -0.42    -0.76     16
  31       H     0.10    -0.14     8.14     -51.93      -0.42    -0.56     16
  32       H     0.09    -0.58     8.09     -51.93      -0.42    -1.00     16
  33       H     0.06    -0.53     6.63     -51.93      -0.34    -0.87     16
  34       H     0.11    -0.55     8.14     -51.93      -0.42    -0.97     16
  35       H     0.08    -0.76     6.73     -51.92      -0.35    -1.11     16
  36       H     0.13    -1.63     6.51     -51.92      -0.34    -1.97     16
  37       H     0.16    -0.88     5.75     -51.93      -0.30    -1.18     16
  38       H     0.17    -2.31     7.98     -52.49      -0.42    -2.72     16
  39       H     0.16    -1.97     8.06     -52.49      -0.42    -2.40     16
  40       H     0.17    -1.81     8.06     -52.49      -0.42    -2.23     16
  41       H     0.18    -0.77     7.86     -52.49      -0.41    -1.18     16
  42       H     0.35     1.60     8.92      45.56       0.41     2.01     16
  43       H     0.36     1.77     8.91      45.56       0.41     2.18     16
 Total:          0.00   -26.32   335.56                 -8.05   -34.37