REAL300019801822.mol2 39                                                        
   1       C    -0.14    -2.46     9.47      37.16       0.35    -2.11     16
   2       C    -0.12    -2.08     4.38     -26.73      -0.12    -2.20     16
   3       C     0.30     5.42     0.42    -132.97      -0.06     5.36     16
   4       C    -0.12    -2.19     4.77     -26.73      -0.13    -2.32     16
   5       C    -0.15    -2.62     9.36      37.16       0.35    -2.27     16
   6       N    -0.69   -10.35     3.36     -49.54      -0.17   -10.51     16
   7       C     0.56     7.30     6.97     -12.21      -0.09     7.21     16
   8       O    -0.52    -7.85    12.60       5.35       0.07    -7.78     16
   9       C    -0.11    -1.09     5.88    -104.89      -0.62    -1.71     16
  10       C    -0.04    -0.36     9.53     -39.23      -0.37    -0.73     16
  11       C    -0.11    -0.99     9.74     -39.30      -0.38    -1.37     16
  12       C     0.34     3.62     9.79     -38.76      -0.38     3.24     16
  13       O    -0.68   -11.05    17.23     -57.73      -0.99   -12.05     16
  14       O    -0.67   -11.16    17.23     -57.73      -0.99   -12.15     16
  15       C    -0.11    -0.95     9.74     -39.30      -0.38    -1.33     16
  16       C    -0.02    -0.15     9.58     -39.23      -0.38    -0.53     16
  17       C     0.05     1.12     5.88    -156.72      -0.92     0.20     16
  18       N    -0.37    -9.62    10.11      32.44       0.33    -9.29     16
  19       N    -0.19    -5.51    13.47      60.35       0.81    -4.70     16
  20       N    -0.19    -5.48    13.47      60.35       0.81    -4.67     16
  21       N    -0.38    -9.47    10.08      32.44       0.33    -9.14     16
  22       H     0.04     0.58     7.28     -51.93      -0.38     0.20     16
  23       H     0.04     0.68     8.14     -51.92      -0.42     0.26     16
  24       H     0.07     1.52     6.14     -51.93      -0.32     1.20     16
  25       H     0.08     1.27     6.31     -51.93      -0.33     0.94     16
  26       H     0.07     1.41     8.05     -51.93      -0.42     0.99     16
  27       H     0.06     1.20     8.14     -51.93      -0.42     0.77     16
  28       H     0.08     1.34     6.18     -51.93      -0.32     1.02     16
  29       H     0.08     1.74     5.68     -51.93      -0.30     1.45     16
  30       H     0.04     0.61     8.14     -51.93      -0.42     0.19     16
  31       H     0.04     0.73     7.60     -51.93      -0.39     0.33     16
  32       H     0.40     5.76     6.49     -40.82      -0.26     5.50     16
  33       H     0.17     1.22     6.39     -52.49      -0.34     0.88     16
  34       H     0.18     1.50     7.75     -52.49      -0.41     1.10     16
  35       H     0.33     4.49     8.90      45.56       0.41     4.89     16
  36       H     0.33     4.56     8.90      45.56       0.41     4.97     16
  37       H     0.18     1.33     7.75     -52.49      -0.41     0.93     16
  38       H     0.18     1.17     7.64     -52.49      -0.40     0.77     16
 Total:         -1.00   -34.81   318.54                 -2.85   -37.66