REAL300009850679.mol2 40                                                        
   1       C    -0.15    -3.01     8.69      37.16       0.32    -2.68     16
   2       C    -0.06    -1.13     2.14     -90.62      -0.19    -1.33     16
   3       C    -0.16    -2.65     8.87      37.16       0.33    -2.32     16
   4       C    -0.18    -3.86     2.26     -92.92      -0.21    -4.07     16
   5       C     0.51    14.02     7.19      36.01       0.26    14.28     16
   6       O    -0.69   -20.63    16.19     -20.23      -0.33   -20.96     16
   7       O    -0.67   -20.45    14.99     -20.23      -0.30   -20.75     16
   8       C     0.55    11.00     6.19     -10.99      -0.07    10.93     16
   9       O    -0.53   -10.78    11.05       5.56       0.06   -10.72     16
  10       N    -0.66   -11.10     4.77      -9.89      -0.05   -11.15     16
  11       C     0.21     2.93     6.28     -83.76      -0.53     2.41     16
  12       C    -0.16    -1.69     9.69     -38.96      -0.38    -2.06     16
  13       C    -0.03    -0.25     5.74    -106.77      -0.61    -0.86     16
  14       C    -0.06    -0.42     9.73     -39.53      -0.38    -0.80     16
  15       C    -0.11    -1.04     9.65     -39.64      -0.38    -1.42     16
  16       C     0.32     3.81     9.78     -38.67      -0.38     3.43     16
  17       O    -0.69   -12.41    17.19     -57.73      -0.99   -13.40     16
  18       O    -0.69   -12.20    17.20     -57.73      -0.99   -13.20     16
  19       C    -0.08    -0.80     9.49     -38.78      -0.37    -1.17     16
  20       C    -0.04    -0.46     5.74    -106.81      -0.61    -1.07     16
  21       C    -0.08    -0.87     9.74     -39.48      -0.38    -1.26     16
  22       C    -0.09    -1.30     8.58     -39.76      -0.34    -1.64     16
  23       H     0.04     0.81     8.14     -51.93      -0.42     0.38     16
  24       H     0.04     0.63     8.14     -51.93      -0.42     0.21     16
  25       H     0.10     2.24     5.50     -51.93      -0.29     1.96     16
  26       H     0.07     1.46     8.10     -51.93      -0.42     1.04     16
  27       H     0.05     0.71     8.14     -51.93      -0.42     0.28     16
  28       H     0.04     0.65     8.14     -51.93      -0.42     0.23     16
  29       H     0.08     1.36     5.51     -51.93      -0.29     1.07     16
  30       H     0.09     1.86     8.14     -51.93      -0.42     1.43     16
  31       H     0.42     6.80     8.32     -40.82      -0.34     6.46     16
  32       H     0.14     1.13     8.06     -52.48      -0.42     0.71     16
  33       H     0.17     0.64     8.06     -52.49      -0.42     0.22     16
  34       H     0.17     1.43     7.73     -52.48      -0.41     1.02     16
  35       H     0.33     4.98     8.90      45.56       0.41     5.39     16
  36       H     0.33     4.90     8.90      45.56       0.41     5.31     16
  37       H     0.18     1.76     7.73     -52.48      -0.41     1.35     16
  38       H     0.14     1.22     8.06     -52.49      -0.42     0.79     16
  39       H     0.16     2.54     6.18     -52.49      -0.32     2.21     16
 Total:         -1.00   -38.15   332.92                 -6.55   -44.71