REAL300009850678.mol2 37                                                        
   1       C    -0.12    -2.14     8.28      37.16       0.31    -1.83     16
   2       C    -0.16    -3.42     0.79    -156.81      -0.12    -3.54     16
   3       C    -0.12    -2.14     8.29      37.16       0.31    -1.84     16
   4       C     0.51    15.66     6.71      36.00       0.24    15.90     16
   5       O    -0.65   -22.84    15.07     -28.00      -0.42   -23.26     16
   6       O    -0.69   -23.31    17.67     -20.22      -0.36   -23.66     16
   7       C     0.52    10.53     6.31     -10.99      -0.07    10.46     16
   8       O    -0.46   -11.29    11.56     -18.96      -0.22   -11.51     16
   9       N    -0.69    -9.48     5.09      -9.89      -0.05    -9.53     16
  10       C     0.20     2.55     6.28     -83.75      -0.53     2.03     16
  11       C    -0.16    -1.45     9.69     -38.96      -0.38    -1.83     16
  12       C    -0.03    -0.23     5.74    -106.77      -0.61    -0.84     16
  13       C    -0.06    -0.38     9.73     -39.53      -0.38    -0.76     16
  14       C    -0.11    -0.96     9.65     -39.64      -0.38    -1.35     16
  15       C     0.31     3.66     9.78     -38.67      -0.38     3.29     16
  16       O    -0.69   -11.95    17.20     -57.73      -0.99   -12.94     16
  17       O    -0.68   -12.17    17.19     -57.73      -0.99   -13.16     16
  18       C    -0.08    -0.76     9.49     -38.78      -0.37    -1.13     16
  19       C    -0.04    -0.43     5.74    -106.81      -0.61    -1.04     16
  20       C    -0.08    -0.81     9.74     -39.48      -0.38    -1.19     16
  21       C    -0.10    -1.31     8.58     -39.76      -0.34    -1.65     16
  22       H     0.04     0.56     7.47     -51.93      -0.39     0.17     16
  23       H     0.07     1.38     8.09     -51.93      -0.42     0.96     16
  24       H     0.05     0.99     8.14     -51.93      -0.42     0.57     16
  25       H     0.05     1.00     8.14     -51.93      -0.42     0.58     16
  26       H     0.07     1.38     8.09     -51.93      -0.42     0.96     16
  27       H     0.04     0.57     7.67     -51.93      -0.40     0.17     16
  28       H     0.41     4.18     7.67     -40.82      -0.31     3.87     16
  29       H     0.14     0.87     8.06     -52.48      -0.42     0.45     16
  30       H     0.17     0.49     8.06     -52.48      -0.42     0.07     16
  31       H     0.17     1.34     7.73     -52.49      -0.41     0.93     16
  32       H     0.33     4.80     8.90      45.56       0.41     5.21     16
  33       H     0.33     4.90     8.90      45.56       0.41     5.31     16
  34       H     0.18     1.72     7.73     -52.49      -0.41     1.31     16
  35       H     0.14     1.22     8.06     -52.49      -0.42     0.80     16
  36       H     0.16     2.52     6.18     -52.49      -0.32     2.20     16
 Total:         -1.00   -44.75   317.48                 -6.33   -51.09