REAL300018290277.mol2 37                                                        
   1       C     0.03     0.44     9.81     101.05       0.99     1.43     16
   2       O    -0.33    -5.20     9.72     -19.78      -0.19    -5.40     16
   3       C     0.04     0.65     6.70     -39.15      -0.26     0.39     16
   4       C    -0.12    -2.79     8.58     -39.03      -0.33    -3.12     16
   5       C    -0.15    -3.81     5.87    -104.99      -0.62    -4.42     16
   6       C     0.52    17.29     7.99      34.34       0.27    17.56     16
   7       O    -0.69   -24.53    17.23     -20.59      -0.35   -24.89     16
   8       O    -0.69   -24.66    17.23     -20.59      -0.35   -25.01     16
   9       C    -0.07    -1.57     9.58     -39.17      -0.38    -1.95     16
  10       C    -0.18    -3.01     9.28     -39.48      -0.37    -3.37     16
  11       C     0.18     2.83     6.67     -83.68      -0.56     2.27     16
  12       N    -0.75    -8.06     5.69     -59.68      -0.34    -8.40     16
  13       C     0.17     1.16     5.02      -5.19      -0.03     1.14     16
  14       C    -0.09    -0.45     5.26    -104.52      -0.55    -1.00     16
  15       C    -0.06    -0.25     9.68     -39.63      -0.38    -0.64     16
  16       C    -0.11    -0.70     9.75     -39.25      -0.38    -1.08     16
  17       C     0.33     2.93     9.80     -38.72      -0.38     2.55     16
  18       O    -0.68   -10.54    17.25     -57.73      -1.00   -11.54     16
  19       O    -0.68   -10.54    17.25     -57.73      -1.00   -11.54     16
  20       C    -0.11    -0.70     9.75     -39.25      -0.38    -1.08     16
  21       C    -0.06    -0.25     9.68     -39.63      -0.38    -0.64     16
  22       H     0.09     0.90     8.14     -51.93      -0.42     0.48     16
  23       H     0.05     0.74     7.65     -51.93      -0.40     0.35     16
  24       H     0.05     0.74     7.67     -51.93      -0.40     0.35     16
  25       H     0.13     3.04     5.86     -52.49      -0.31     2.73     16
  26       H     0.13     2.83     7.63     -52.49      -0.40     2.43     16
  27       H     0.12     1.53     6.69     -52.49      -0.35     1.18     16
  28       H     0.40     4.18     7.80     -40.82      -0.32     3.86     16
  29       H     0.08     0.49     7.87     -51.93      -0.41     0.08     16
  30       H     0.08     0.49     7.87     -51.93      -0.41     0.08     16
  31       H     0.17     0.46     8.06     -52.48      -0.42     0.03     16
  32       H     0.17     1.10     7.77     -52.49      -0.41     0.69     16
  33       H     0.33     4.26     8.90      45.56       0.41     4.67     16
  34       H     0.33     4.26     8.90      45.56       0.41     4.67     16
  35       H     0.17     1.10     7.77     -52.49      -0.41     0.69     16
  36       H     0.17     0.46     8.06     -52.49      -0.42     0.03     16
 Total:         -1.00   -45.18   324.44                 -6.34   -51.53