REAL300018708827.mol2 40                                                        
   1       C     0.03     0.40     9.81     101.05       0.99     1.39     16
   2       O    -0.33    -5.41     9.64     -19.48      -0.19    -5.60     16
   3       C     0.11     2.15     6.65     -39.28      -0.26     1.88     16
   4       C    -0.17    -4.10     8.58     -38.98      -0.33    -4.43     16
   5       C    -0.09    -2.65     5.87    -105.02      -0.62    -3.26     16
   6       C     0.52    17.87     8.01      34.53       0.28    18.15     16
   7       O    -0.69   -25.11    17.24     -20.53      -0.35   -25.47     16
   8       O    -0.68   -25.17    17.24     -20.53      -0.35   -25.52     16
   9       C    -0.12    -2.94     9.59     -39.13      -0.38    -3.31     16
  10       C    -0.08    -1.62     9.64     -39.67      -0.38    -2.00     16
  11       C    -0.12    -2.36     5.41    -104.38      -0.56    -2.92     16
  12       C     0.13     1.90     5.47      -4.98      -0.03     1.88     16
  13       N    -0.66    -9.25     5.73    -116.35      -0.67    -9.92     16
  14       C     0.10     1.10     4.85      -4.98      -0.02     1.07     16
  15       C    -0.07    -0.66     5.42    -104.29      -0.57    -1.23     16
  16       C    -0.08    -0.44     9.66     -39.63      -0.38    -0.82     16
  17       C    -0.11    -0.40    10.04     -39.49      -0.40    -0.80     16
  18       C    -0.08    -0.34    10.03     -39.63      -0.40    -0.74     16
  19       C    -0.11    -0.92     9.75     -39.25      -0.38    -1.30     16
  20       C     0.33     3.81     9.76     -38.73      -0.38     3.43     16
  21       O    -0.71   -13.30    17.25     -57.73      -1.00   -14.29     16
  22       O    -0.58    -9.68    13.36     -57.73      -0.77   -10.45     16
  23       H     0.05     0.78     7.66     -51.93      -0.40     0.38     16
  24       H     0.05     0.78     7.66     -51.93      -0.40     0.39     16
  25       H     0.09     0.89     8.14     -51.93      -0.42     0.47     16
  26       H     0.13     3.15     5.88     -52.49      -0.31     2.84     16
  27       H     0.13     3.17     7.64     -52.49      -0.40     2.77     16
  28       H     0.12     2.15     8.03     -52.48      -0.42     1.73     16
  29       H     0.04     0.51     7.84     -51.93      -0.41     0.10     16
  30       H     0.08     1.15     7.99     -51.93      -0.41     0.73     16
  31       H     0.34     4.75     8.64     -39.29      -0.34     4.41     16
  32       H     0.04     0.38     8.00     -51.93      -0.42    -0.03     16
  33       H     0.12     1.50     5.75     -51.93      -0.30     1.20     16
  34       H     0.16     0.49     8.04     -52.48      -0.42     0.06     16
  35       H     0.15     0.08     8.06     -52.49      -0.42    -0.34     16
  36       H     0.16     0.17     8.06     -52.49      -0.42    -0.25     16
  37       H     0.17     1.41     7.77     -52.49      -0.41     1.01     16
  38       H     0.32     5.36     8.90      45.56       0.41     5.76     16
  39       H     0.33     4.94     8.90      45.56       0.41     5.34     16
 Total:         -1.00   -45.45   341.99                 -7.09   -52.54