REAL300019970579.mol2 49                                                        
   1       C    -0.14    -1.31     7.78      37.15       0.29    -1.02     16
   2       C     0.15     1.64     1.57     -89.98      -0.14     1.50     16
   3       C    -0.15    -1.27     7.79      37.16       0.29    -0.98     16
   4       O    -0.54    -7.41    14.24     -59.50      -0.85    -8.26     16
   5       C     0.27     1.62     7.56     -24.58      -0.19     1.43     16
   6       C    -0.16    -0.58     6.95     -24.89      -0.17    -0.75     16
   7       C     0.10     0.38     6.49      -3.06      -0.02     0.36     16
   8       N    -0.63    -5.07     3.33    -170.52      -0.57    -5.63     16
   9       C     0.53     6.54     7.85     -10.98      -0.09     6.46     16
  10       O    -0.51    -8.89    16.24       5.55       0.09    -8.80     16
  11       C    -0.13    -1.44     4.89     -27.88      -0.14    -1.58     16
  12       C    -0.10    -1.67     4.49     -26.73      -0.12    -1.79     16
  13       C     0.00     0.03     5.84     -27.88      -0.16    -0.13     16
  14       C     0.05     1.49     7.62    -156.72      -1.19     0.30     16
  15       N    -0.39   -12.02    12.43      32.43       0.40   -11.61     16
  16       N    -0.20    -6.52    13.47      60.35       0.81    -5.71     16
  17       N    -0.20    -6.52    13.47      60.35       0.81    -5.70     16
  18       N    -0.39   -11.99    12.43      32.43       0.40   -11.58     16
  19       C     0.07     0.57     6.42      -2.53      -0.02     0.55     16
  20       O    -0.52    -7.58    13.60     -59.50      -0.81    -8.39     16
  21       C     0.15     1.69     1.56     -89.97      -0.14     1.55     16
  22       C    -0.14    -1.38     7.78      37.16       0.29    -1.09     16
  23       C    -0.15    -1.40     7.77      37.16       0.29    -1.11     16
  24       H     0.06     0.56     8.14     -51.93      -0.42     0.14     16
  25       H     0.06     0.41     7.00     -51.92      -0.36     0.05     16
  26       H     0.07     0.66     6.61     -51.93      -0.34     0.32     16
  27       H     0.06     0.51     6.62     -51.93      -0.34     0.17     16
  28       H     0.06     0.39     7.01     -51.93      -0.36     0.03     16
  29       H     0.06     0.52     8.14     -51.93      -0.42     0.10     16
  30       H     0.16     0.44     8.14     -51.93      -0.42     0.01     16
  31       H     0.12     0.19     8.14     -51.93      -0.42    -0.23     16
  32       H     0.12     0.57     8.14     -51.92      -0.42     0.14     16
  33       H     0.10     0.27     8.14     -51.93      -0.42    -0.15     16
  34       H     0.09     0.16     8.14     -51.93      -0.42    -0.26     16
  35       H     0.10     0.81     8.14     -51.93      -0.42     0.39     16
  36       H     0.10     0.86     8.14     -51.93      -0.42     0.43     16
  37       H     0.07     1.41     8.10     -51.93      -0.42     0.99     16
  38       H     0.07     1.39     8.10     -51.93      -0.42     0.97     16
  39       H     0.07     1.18     8.14     -51.93      -0.42     0.75     16
  40       H     0.07     1.19     8.14     -51.93      -0.42     0.77     16
  41       H     0.11     1.09     7.93     -51.93      -0.41     0.68     16
  42       H     0.11     0.97     8.04     -51.93      -0.42     0.55     16
  43       H     0.06     0.44     6.90     -51.93      -0.36     0.08     16
  44       H     0.07     0.63     8.14     -51.93      -0.42     0.20     16
  45       H     0.07     0.69     6.72     -51.92      -0.35     0.34     16
  46       H     0.06     0.56     6.73     -51.93      -0.35     0.21     16
  47       H     0.07     0.61     8.14     -51.93      -0.42     0.19     16
  48       H     0.06     0.42     6.91     -51.93      -0.36     0.06     16
 Total:         -1.00   -44.13   384.06                 -5.13   -49.26