REAL300013458626.mol2 39                                                        
   1       O    -0.70   -25.50    16.88     -20.23      -0.34   -25.84     16
   2       C     0.49    16.65     8.05      36.01       0.29    16.94     16
   3       O    -0.71   -26.73    18.00     -20.23      -0.36   -27.09     16
   4       C    -0.18    -4.75     5.78     -27.88      -0.16    -4.91     16
   5       C    -0.09    -2.00     4.50     -26.73      -0.12    -2.12     16
   6       C    -0.12    -1.79     5.21     -26.74      -0.14    -1.93     16
   7       C    -0.12    -1.34     5.21     -26.73      -0.14    -1.48     16
   8       C    -0.13    -1.08     5.33     -26.73      -0.14    -1.22     16
   9       C     0.13     1.06     5.67      -4.04      -0.02     1.03     16
  10       N    -0.73    -4.77     5.56     -65.23      -0.36    -5.13     16
  11       C     0.70     5.73     8.33     -86.93      -0.72     5.01     16
  12       O    -0.56    -6.12    13.49       5.29       0.07    -6.05     16
  13       N    -0.67    -4.33     5.36     -12.63      -0.07    -4.39     16
  14       C     0.24     1.69     6.64     -81.29      -0.54     1.15     16
  15       C    -0.16    -0.89     8.58     -39.97      -0.34    -1.23     16
  16       C     0.00    -0.01     9.83     -40.13      -0.39    -0.40     16
  17       C    -0.13    -0.44    10.27     -37.01      -0.38    -0.82     16
  18       C     0.20     1.48     7.36     -79.58      -0.59     0.90     16
  19       C     0.14     1.22     7.33     -79.31      -0.58     0.63     16
  20       N    -0.39    -4.31    18.95      35.14       0.67    -3.65     16
  21       N    -0.28    -2.75    19.05      34.97       0.67    -2.08     16
  22       H     0.05     1.32     8.14     -51.93      -0.42     0.90     16
  23       H     0.05     1.32     8.14     -51.93      -0.42     0.89     16
  24       H     0.06     1.31     8.10     -51.93      -0.42     0.89     16
  25       H     0.06     1.32     8.10     -51.93      -0.42     0.89     16
  26       H     0.06     0.80     8.14     -51.93      -0.42     0.38     16
  27       H     0.06     0.80     8.14     -51.93      -0.42     0.37     16
  28       H     0.07     0.78     8.14     -51.93      -0.42     0.36     16
  29       H     0.07     0.79     8.14     -51.93      -0.42     0.36     16
  30       H     0.07     0.54     8.14     -51.93      -0.42     0.11     16
  31       H     0.07     0.52     8.14     -51.93      -0.42     0.10     16
  32       H     0.07     0.63     8.14     -51.93      -0.42     0.21     16
  33       H     0.07     0.65     8.14     -51.92      -0.42     0.23     16
  34       H     0.40     1.59     8.49     -40.82      -0.35     1.25     16
  35       H     0.41     1.98     8.77     -40.82      -0.36     1.62     16
  36       H     0.17     1.13     5.60     -52.49      -0.29     0.83     16
  37       H     0.15    -0.07     8.06     -52.49      -0.42    -0.49     16
  38       H     0.17     0.13     8.06     -52.49      -0.42    -0.30     16
 Total:         -1.00   -43.43   332.00                 -5.63   -49.06