REAL300019858701.mol2 39                                                        
   1       C    -0.14    -1.50     9.19      37.16       0.34    -1.16     16
   2       C    -0.11    -1.31     3.15     -90.62      -0.29    -1.60     16
   3       C    -0.14    -1.59     8.17      37.16       0.30    -1.29     16
   4       C     0.12     1.78     4.96      -4.04      -0.02     1.76     16
   5       N    -0.58    -9.17     2.25    -176.08      -0.40    -9.56     16
   6       C     0.18     3.02     5.60      -5.20      -0.03     2.99     16
   7       C     0.02     0.51     7.20    -156.72      -1.13    -0.62     16
   8       N    -0.39    -9.73    10.61      32.44       0.34    -9.38     16
   9       N    -0.18    -5.10    13.47      60.35       0.81    -4.28     16
  10       N    -0.19    -5.26    13.47      60.35       0.81    -4.45     16
  11       N    -0.37    -9.46    12.25      32.44       0.40    -9.07     16
  12       C     0.57     8.74     6.00     -12.21      -0.07     8.67     16
  13       O    -0.53    -9.02    15.65       5.35       0.08    -8.94     16
  14       C    -0.12    -1.61     5.55    -104.89      -0.58    -2.20     16
  15       C    -0.06    -0.81     7.44     -39.24      -0.29    -1.10     16
  16       C    -0.11    -1.48     9.74     -39.30      -0.38    -1.86     16
  17       C     0.34     4.74     9.79     -38.76      -0.38     4.36     16
  18       O    -0.69   -12.84    17.23     -57.73      -0.99   -13.84     16
  19       O    -0.67   -12.89    17.23     -57.73      -0.99   -13.89     16
  20       C    -0.12    -1.31     9.74     -39.31      -0.38    -1.69     16
  21       C    -0.02    -0.24     9.59     -39.23      -0.38    -0.62     16
  22       H     0.05     0.57     8.14     -51.93      -0.42     0.15     16
  23       H     0.06     0.51     8.14     -51.93      -0.42     0.09     16
  24       H     0.06     0.64     8.14     -51.93      -0.42     0.22     16
  25       H     0.07     0.87     8.01     -51.92      -0.42     0.46     16
  26       H     0.06     0.74     8.02     -51.93      -0.42     0.32     16
  27       H     0.05     0.56     6.95     -51.93      -0.36     0.20     16
  28       H     0.05     0.49     8.14     -51.93      -0.42     0.07     16
  29       H     0.09     1.56     7.64     -51.93      -0.40     1.17     16
  30       H     0.09     1.35     7.19     -51.93      -0.37     0.98     16
  31       H     0.09     1.34     8.01     -51.93      -0.42     0.93     16
  32       H     0.11     1.59     3.54     -56.35      -0.20     1.40     16
  33       H     0.22     3.66     2.68     -52.48      -0.14     3.52     16
  34       H     0.18     2.46     7.75     -52.49      -0.41     2.05     16
  35       H     0.33     5.16     8.90      45.56       0.41     5.57     16
  36       H     0.33     5.32     8.90      45.56       0.41     5.72     16
  37       H     0.18     1.69     7.75     -52.49      -0.41     1.28     16
  38       H     0.17     1.39     7.97     -52.48      -0.42     0.97     16
 Total:         -1.00   -34.62   324.15                 -3.17   -37.79