REAL300018605231.mol2 44                                                        
   1       O    -0.67   -14.52    17.99     -20.54      -0.37   -14.89     16
   2       C     0.52     8.83     6.53      34.53       0.23     9.05     16
   3       O    -0.69   -12.25    16.56     -20.53      -0.34   -12.59     16
   4       C    -0.11    -1.14     5.73    -105.00      -0.60    -1.74     16
   5       C    -0.10    -0.94     9.78     -39.15      -0.38    -1.32     16
   6       C    -0.12    -0.69    10.03     -39.65      -0.40    -1.09     16
   7       C    -0.13    -0.42    10.04     -39.47      -0.40    -0.82     16
   8       C    -0.13    -0.16     8.44     -39.64      -0.33    -0.50     16
   9       C    -0.08    -0.29     5.33    -104.19      -0.56    -0.85     16
  10       C    -0.07     0.22     3.22     -90.96      -0.29    -0.07     16
  11       H     0.12     0.01     5.63     -51.93      -0.29    -0.28     16
  12       C    -0.14     1.42     7.08     -25.82      -0.18     1.24     16
  13       C    -0.02     0.29     3.87     -66.81      -0.26     0.03     16
  14       H     0.15    -2.87     8.04     -51.93      -0.42    -3.29     16
  15       N    -0.50     9.65     1.79    -107.03      -0.19     9.46     16
  16       H     0.43    -9.37     8.69     -39.29      -0.34    -9.71     16
  17       H     0.43    -7.88     7.73     -39.29      -0.30    -8.18     16
  18       C     0.05    -1.02     5.46      -4.98      -0.03    -1.05     16
  19       C    -0.16     2.59     5.36    -104.53      -0.56     2.03     16
  20       C    -0.05     0.76     9.68     -39.63      -0.38     0.38     16
  21       C    -0.11     1.00     9.75     -39.25      -0.38     0.61     16
  22       C     0.33    -1.74     9.80     -38.73      -0.38    -2.12     16
  23       O    -0.63    -2.43    17.25     -57.73      -1.00    -3.42     16
  24       O    -0.64    -2.24    17.25     -57.73      -1.00    -3.24     16
  25       C    -0.10     0.87     9.75     -39.25      -0.38     0.49     16
  26       C    -0.05     0.65     9.68     -39.63      -0.38     0.26     16
  27       C    -0.13     1.15     7.30     -25.92      -0.19     0.96     16
  28       H     0.12     1.30     8.06     -52.49      -0.42     0.88     16
  29       H     0.12     0.43     8.06     -52.49      -0.42     0.01     16
  30       H     0.12     0.06     8.06     -52.49      -0.42    -0.36     16
  31       H     0.11    -0.38     6.74     -52.49      -0.35    -0.74     16
  32       H     0.09    -1.05     8.14     -51.93      -0.42    -1.47     16
  33       H     0.12    -1.19     6.59     -51.93      -0.34    -1.54     16
  34       H     0.15    -3.07     8.08     -51.93      -0.42    -3.49     16
  35       H     0.15    -3.31     8.05     -51.93      -0.42    -3.73     16
  36       H     0.17    -3.09     8.06     -52.49      -0.42    -3.52     16
  37       H     0.18    -1.48     7.77     -52.49      -0.41    -1.88     16
  38       H     0.35     0.54     8.90      45.56       0.41     0.94     16
  39       H     0.34     0.47     8.90      45.56       0.41     0.87     16
  40       H     0.18    -1.24     7.77     -52.48      -0.41    -1.65     16
  41       H     0.17    -2.70     8.06     -52.49      -0.42    -3.12     16
  42       H     0.12    -1.02     7.38     -51.92      -0.38    -1.40     16
  43       H     0.10    -0.86     8.14     -51.93      -0.42    -1.28     16
 Total:          0.00   -47.11   364.52                 -9.50   -56.61