REAL300020218538.mol2 49                                                        
   1       C    -0.15    -1.66     7.78      37.16       0.29    -1.37     16
   2       C     0.15     1.93     1.57     -89.97      -0.14     1.78     16
   3       C    -0.14    -1.63     7.78      37.16       0.29    -1.34     16
   4       O    -0.53    -9.05    14.24     -59.50      -0.85    -9.89     16
   5       C     0.29     2.48     6.62     -26.61      -0.18     2.30     16
   6       C    -0.16    -0.88     5.18     -26.69      -0.14    -1.02     16
   7       C    -0.12    -0.46     6.08     -26.61      -0.16    -0.62     16
   8       C     0.09     0.49     6.34      -3.71      -0.02     0.47     16
   9       N    -0.61    -5.49     2.97    -172.77      -0.51    -6.00     16
  10       C     0.52     6.91     7.70     -10.99      -0.08     6.83     16
  11       O    -0.51    -8.67    15.39       5.56       0.09    -8.58     16
  12       C    -0.12    -1.83     4.03     -27.88      -0.11    -1.94     16
  13       C     0.01     0.30     5.13     -27.88      -0.14     0.15     16
  14       C     0.05     1.33     7.62    -156.72      -1.19     0.14     16
  15       N    -0.39   -11.27    12.43      32.44       0.40   -10.87     16
  16       N    -0.20    -6.10    13.47      60.35       0.81    -5.29     16
  17       N    -0.20    -6.10    13.47      60.35       0.81    -5.29     16
  18       N    -0.39   -11.25    12.43      32.44       0.40   -10.85     16
  19       C     0.07     0.63     6.43      -3.71      -0.02     0.61     16
  20       O    -0.55    -8.57    13.69     -59.50      -0.81    -9.39     16
  21       C     0.15     1.88     1.57     -89.97      -0.14     1.74     16
  22       C    -0.15    -1.50     7.79      37.16       0.29    -1.21     16
  23       C    -0.14    -1.54     7.79      37.16       0.29    -1.25     16
  24       H     0.06     0.51     6.90     -51.93      -0.36     0.15     16
  25       H     0.06     0.72     8.14     -51.93      -0.42     0.29     16
  26       H     0.06     0.64     6.71     -51.93      -0.35     0.29     16
  27       H     0.06     0.71     8.14     -51.93      -0.42     0.29     16
  28       H     0.06     0.79     6.71     -51.93      -0.35     0.44     16
  29       H     0.06     0.51     6.91     -51.93      -0.36     0.15     16
  30       H     0.13     0.99     8.14     -51.93      -0.42     0.57     16
  31       H     0.10     0.57     8.14     -51.93      -0.42     0.15     16
  32       H     0.11     0.64     8.14     -51.93      -0.42     0.22     16
  33       H     0.08     0.34     8.14     -51.92      -0.42    -0.08     16
  34       H     0.11     0.22     8.14     -51.93      -0.42    -0.20     16
  35       H     0.11     0.67     5.93     -51.93      -0.31     0.36     16
  36       H     0.09     0.36     8.14     -51.93      -0.42    -0.06     16
  37       H     0.10     1.40     7.94     -51.93      -0.41     0.99     16
  38       H     0.10     1.36     7.69     -51.93      -0.40     0.96     16
  39       H     0.08     1.50     8.10     -51.93      -0.42     1.08     16
  40       H     0.08     1.52     8.10     -51.93      -0.42     1.10     16
  41       H     0.13     1.45     7.00     -51.93      -0.36     1.09     16
  42       H     0.09     0.75     8.14     -51.93      -0.42     0.33     16
  43       H     0.06     0.48     6.85     -51.93      -0.36     0.12     16
  44       H     0.06     0.58     8.14     -51.93      -0.42     0.15     16
  45       H     0.06     0.58     6.76     -51.93      -0.35     0.23     16
  46       H     0.06     0.76     6.77     -51.93      -0.35     0.41     16
  47       H     0.06     0.62     8.14     -51.93      -0.42     0.20     16
  48       H     0.06     0.49     6.85     -51.93      -0.36     0.13     16
 Total:         -1.00   -40.89   376.29                 -4.97   -45.87