REAL300018555491.mol2 50                                                        
   1       C    -0.18     0.35     8.38      37.16       0.31     0.66     16
   2       C     0.11     0.16     1.11     -90.62      -0.10     0.05     16
   3       C    -0.14    -0.26     8.84      37.16       0.33     0.07     16
   4       C    -0.18    -0.62     8.38      37.16       0.31    -0.31     16
   5       O    -0.33    -0.64    10.00     -35.23      -0.35    -0.99     16
   6       C     0.09    -0.26     2.37     -25.91      -0.06    -0.32     16
   7       H     0.10    -0.22     5.30     -51.93      -0.28    -0.50     16
   8       C    -0.17     1.82     7.57     -25.91      -0.20     1.62     16
   9       C    -0.02     0.25     3.27     -66.90      -0.22     0.03     16
  10       H     0.16    -2.44     7.99     -51.93      -0.42    -2.85     16
  11       N    -0.50     9.51     1.80    -107.13      -0.19     9.32     16
  12       H     0.43    -8.75     8.26     -39.29      -0.32    -9.07     16
  13       H     0.43    -8.57     8.69     -39.29      -0.34    -8.92     16
  14       C     0.05    -0.96     5.45      -4.98      -0.03    -0.99     16
  15       C    -0.16     2.62     5.36    -104.53      -0.56     2.06     16
  16       C    -0.05     0.77     9.68     -39.63      -0.38     0.39     16
  17       C    -0.11     1.03     9.75     -39.25      -0.38     0.65     16
  18       C     0.33    -1.98     9.80     -38.72      -0.38    -2.36     16
  19       O    -0.64    -1.86    17.25     -57.73      -1.00    -2.85     16
  20       O    -0.64    -1.92    17.25     -57.73      -1.00    -2.91     16
  21       C    -0.11     1.00     9.75     -39.25      -0.38     0.62     16
  22       C    -0.05     0.74     9.68     -39.63      -0.38     0.36     16
  23       C    -0.08     0.28     2.75     -89.81      -0.25     0.04     16
  24       H     0.13    -0.22     7.67     -51.93      -0.40    -0.62     16
  25       C    -0.19    -0.68     5.62     -27.88      -0.16    -0.83     16
  26       C     0.49     7.50     8.06      36.01       0.29     7.79     16
  27       O    -0.68   -12.19    16.65     -20.24      -0.34   -12.53     16
  28       O    -0.69   -14.96    18.00     -20.22      -0.36   -15.33     16
  29       H     0.06    -0.17     8.14     -51.93      -0.42    -0.59     16
  30       H     0.07    -0.13     8.14     -51.93      -0.42    -0.55     16
  31       H     0.05    -0.19     7.02     -51.93      -0.36    -0.55     16
  32       H     0.07     0.32     8.14     -51.93      -0.42    -0.10     16
  33       H     0.07     0.03     8.14     -51.93      -0.42    -0.39     16
  34       H     0.06     0.05     8.14     -51.93      -0.42    -0.37     16
  35       H     0.05     0.14     6.24     -51.93      -0.32    -0.19     16
  36       H     0.06     0.12     8.14     -51.93      -0.42    -0.30     16
  37       H     0.08     0.64     8.14     -51.93      -0.42     0.22     16
  38       H     0.10    -1.19     8.14     -51.93      -0.42    -1.61     16
  39       H     0.11    -1.31     7.88     -51.93      -0.41    -1.72     16
  40       H     0.15    -3.12     8.05     -51.93      -0.42    -3.54     16
  41       H     0.15    -3.12     8.08     -51.93      -0.42    -3.54     16
  42       H     0.17    -3.05     8.06     -52.48      -0.42    -3.47     16
  43       H     0.18    -1.53     7.77     -52.48      -0.41    -1.94     16
  44       H     0.34     0.26     8.90      45.56       0.41     0.67     16
  45       H     0.34     0.29     8.90      45.56       0.41     0.69     16
  46       H     0.18    -1.47     7.77     -52.49      -0.41    -1.88     16
  47       H     0.17    -2.96     8.06     -52.48      -0.42    -3.38     16
  48       H     0.06     0.05     8.14     -51.93      -0.42    -0.37     16
  49       H     0.07     0.21     7.84     -51.93      -0.41    -0.20     16
 Total:          0.00   -46.60   402.56                 -8.16   -54.76