REAL300019875932.mol2 40                                                        
   1       O    -0.52    -7.12    16.24       5.34       0.09    -7.03     16
   2       C     0.56     5.59     7.39     -12.22      -0.09     5.50     16
   3       C    -0.12    -0.76     5.30    -104.89      -0.56    -1.31     16
   4       C    -0.05    -0.23     7.34     -39.23      -0.29    -0.52     16
   5       C    -0.11    -0.64     9.74     -39.30      -0.38    -1.02     16
   6       C     0.34     2.77     9.79     -38.76      -0.38     2.39     16
   7       O    -0.67    -9.74    17.23     -57.73      -0.99   -10.74     16
   8       O    -0.67    -9.65    17.23     -57.73      -0.99   -10.65     16
   9       C    -0.11    -0.69     9.74     -39.30      -0.38    -1.07     16
  10       C    -0.02    -0.12     9.60     -39.23      -0.38    -0.50     16
  11       N    -0.60    -5.85     2.97    -173.79      -0.52    -6.37     16
  12       C     0.11     1.39     6.43      -3.71      -0.02     1.36     16
  13       C    -0.12    -1.89     5.22     -26.45      -0.14    -2.03     16
  14       C    -0.08    -1.13     2.14     -90.42      -0.19    -1.33     16
  15       C     0.00     0.06     5.32     -27.88      -0.15    -0.08     16
  16       C     0.06     1.45     6.82    -156.72      -1.07     0.38     16
  17       N    -0.39   -11.34    12.43      32.44       0.40   -10.93     16
  18       N    -0.20    -6.20    13.47      60.35       0.81    -5.39     16
  19       N    -0.20    -6.17    13.47      60.35       0.81    -5.36     16
  20       N    -0.39   -11.07    11.71      32.44       0.38   -10.69     16
  21       C    -0.13    -1.26     5.36     -26.61      -0.14    -1.41     16
  22       C     0.09     0.65     4.78      -3.71      -0.02     0.63     16
  23       H     0.18     0.46     6.05     -52.49      -0.32     0.14     16
  24       H     0.18     0.91     7.75     -52.48      -0.41     0.51     16
  25       H     0.33     3.94     8.90      45.56       0.41     4.35     16
  26       H     0.33     3.93     8.90      45.56       0.41     4.33     16
  27       H     0.18     1.02     7.75     -52.49      -0.41     0.61     16
  28       H     0.18     0.80     8.00     -52.48      -0.42     0.38     16
  29       H     0.07     0.86     8.14     -51.93      -0.42     0.43     16
  30       H     0.09     1.25     6.99     -51.93      -0.36     0.89     16
  31       H     0.09     1.78     6.79     -51.92      -0.35     1.42     16
  32       H     0.07     1.02     8.14     -51.93      -0.42     0.60     16
  33       H     0.07     1.16     8.14     -51.93      -0.42     0.74     16
  34       H     0.07     1.16     8.14     -51.93      -0.42     0.74     16
  35       H     0.07     1.16     8.14     -51.93      -0.42     0.74     16
  36       H     0.07     0.69     8.14     -51.93      -0.42     0.26     16
  37       H     0.08     0.68     8.14     -51.93      -0.42     0.26     16
  38       H     0.09     0.43     4.46     -51.93      -0.23     0.20     16
  39       H     0.08     0.48     8.05     -51.93      -0.42     0.07     16
 Total:         -1.00   -40.22   330.34                 -4.28   -44.51