REAL300018043472.mol2 39                                                        
   1       O    -0.67   -22.92    17.27     -20.60      -0.36   -23.28     16
   2       C     0.52    16.49     7.97      34.33       0.27    16.76     16
   3       O    -0.67   -22.03    14.45     -20.60      -0.30   -22.33     16
   4       C    -0.06    -1.64     6.04    -102.85      -0.62    -2.26     16
   5       C    -0.15    -3.25     8.82     -38.88      -0.34    -3.59     16
   6       C     0.22     3.99     6.62     -83.98      -0.56     3.43     16
   7       N    -0.64    -9.31     4.94     -59.95      -0.30    -9.60     16
   8       C     0.16     2.22     4.04      -5.20      -0.02     2.20     16
   9       C    -0.11    -1.21     5.28    -104.29      -0.55    -1.76     16
  10       C    -0.07    -0.54     9.66     -39.63      -0.38    -0.92     16
  11       C    -0.13    -0.68    10.04     -39.48      -0.40    -1.07     16
  12       C    -0.08    -0.49    10.03     -39.63      -0.40    -0.89     16
  13       C    -0.12    -1.28     9.75     -39.25      -0.38    -1.66     16
  14       C     0.29     4.11     9.76     -38.73      -0.38     3.73     16
  15       O    -0.68   -14.79    13.35     -57.73      -0.77   -15.56     16
  16       O    -0.76   -17.58    17.25     -57.73      -1.00   -18.58     16
  17       C    -0.17    -2.91     9.55     -38.93      -0.37    -3.28     16
  18       C    -0.03    -0.48     5.74    -106.88      -0.61    -1.09     16
  19       C    -0.13    -2.04     9.77     -39.44      -0.39    -2.43     16
  20       C    -0.11    -1.72     9.95     -39.95      -0.40    -2.12     16
  21       C    -0.15    -2.55     9.96     -39.89      -0.40    -2.95     16
  22       C    -0.08    -1.68     9.27     -39.62      -0.37    -2.05     16
  23       C    -0.05    -1.22     5.90    -104.74      -0.62    -1.84     16
  24       H     0.14     3.07     6.19     -52.48      -0.32     2.75     16
  25       H     0.40     5.03     8.45     -40.82      -0.34     4.68     16
  26       H     0.13     2.30     5.53     -51.93      -0.29     2.01     16
  27       H     0.09     1.14     7.76     -51.93      -0.40     0.73     16
  28       H     0.16     0.77     8.03     -52.49      -0.42     0.35     16
  29       H     0.15     0.34     8.06     -52.48      -0.42    -0.08     16
  30       H     0.15     0.46     8.06     -52.49      -0.42     0.04     16
  31       H     0.16     1.83     7.77     -52.49      -0.41     1.42     16
  32       H     0.32     6.82     8.90      45.56       0.41     7.22     16
  33       H     0.31     6.69     8.90      45.56       0.41     7.10     16
  34       H     0.12     1.66     8.06     -52.49      -0.42     1.24     16
  35       H     0.12     1.50     8.06     -52.49      -0.42     1.08     16
  36       H     0.11     1.36     8.06     -52.48      -0.42     0.94     16
  37       H     0.12     1.73     8.06     -52.49      -0.42     1.31     16
  38       H     0.18     4.40     5.02     -52.48      -0.26     4.13     16
 Total:         -1.00   -42.39   330.33                 -8.82   -51.21