REAL300018471100.mol2 39                                                        
   1       O    -0.66   -16.62    16.57     -20.23      -0.34   -16.96     16
   2       C     0.49    10.61     8.07      36.01       0.29    10.90     16
   3       O    -0.67   -17.19    18.00     -20.23      -0.36   -17.56     16
   4       C     0.03     0.35     7.02      -5.19      -0.04     0.32     16
   5       N    -0.24    -2.36     3.20     -62.45      -0.20    -2.56     16
   6       C    -0.05    -0.16    11.49     -17.05      -0.20    -0.36     16
   7       C    -0.07    -0.03     6.50     -82.77      -0.54    -0.57     16
   8       C    -0.04     0.35     6.02     -27.88      -0.17     0.18     16
   9       C     0.00    -0.03     5.35      -3.82      -0.02    -0.05     16
  10       N    -0.50     9.43     1.59    -115.06      -0.18     9.25     16
  11       H     0.43    -7.86     7.04     -39.29      -0.28    -8.14     16
  12       H     0.42    -9.37     8.66     -39.29      -0.34    -9.71     16
  13       C     0.05    -0.81     4.64      -4.98      -0.02    -0.83     16
  14       C    -0.14     2.25     5.38    -104.29      -0.56     1.69     16
  15       C    -0.06     1.01     9.66     -39.63      -0.38     0.62     16
  16       C    -0.10     1.69    10.04     -39.48      -0.40     1.30     16
  17       C    -0.04     0.66    10.03     -39.63      -0.40     0.26     16
  18       C    -0.11     1.41     9.75     -39.25      -0.38     1.03     16
  19       C     0.32    -3.91     9.76     -38.72      -0.38    -4.29     16
  20       O    -0.73     6.36    12.35     -57.73      -0.71     5.65     16
  21       O    -0.58     2.28    17.25     -57.73      -1.00     1.29     16
  22       N    -0.29    -1.80    12.40      33.29       0.41    -1.38     16
  23       N    -0.03    -0.32    12.13      60.35       0.73     0.41     16
  24       H     0.10     1.10     8.14     -51.93      -0.42     0.67     16
  25       H     0.11     0.92     8.07     -51.93      -0.42     0.50     16
  26       H     0.18    -0.17     8.06     -52.49      -0.42    -0.59     16
  27       H     0.10    -1.12     8.12     -51.93      -0.42    -1.54     16
  28       H     0.10    -1.03     8.14     -51.93      -0.42    -1.46     16
  29       H     0.14    -1.89     8.14     -51.93      -0.42    -2.31     16
  30       H     0.13    -1.70     8.14     -51.93      -0.42    -2.12     16
  31       H     0.14    -2.87     8.00     -51.93      -0.42    -3.29     16
  32       H     0.17    -2.45     5.78     -51.93      -0.30    -2.75     16
  33       H     0.18    -3.56     8.03     -52.49      -0.42    -3.98     16
  34       H     0.17    -2.96     8.06     -52.49      -0.42    -3.39     16
  35       H     0.18    -2.91     8.06     -52.49      -0.42    -3.34     16
  36       H     0.18    -2.14     7.77     -52.48      -0.41    -2.55     16
  37       H     0.35    -2.76     8.90      45.56       0.41    -2.36     16
  38       H     0.36    -2.06     8.90      45.56       0.41    -1.65     16
 Total:          0.00   -49.64   333.25                 -4.97   -54.61