REAL300009850730.mol2 39                                                        
   1       O    -0.69   -23.43    17.00     -20.80      -0.35   -23.78     16
   2       C     0.50    15.85     7.79      31.74       0.25    16.10     16
   3       O    -0.69   -24.54    17.99     -20.79      -0.37   -24.91     16
   4       C    -0.13    -3.10     9.49     -39.40      -0.37    -3.47     16
   5       C    -0.12    -2.38     9.37     -39.17      -0.37    -2.75     16
   6       C     0.07     1.06     6.77     -38.92      -0.26     0.79     16
   7       C    -0.20    -2.39     8.26     -38.89      -0.32    -2.71     16
   8       C    -0.24    -2.75     5.31    -104.96      -0.56    -3.31     16
   9       C     0.60     6.07     7.53     -12.48      -0.09     5.98     16
  10       O    -0.53    -6.83    16.50       5.29       0.09    -6.75     16
  11       N    -0.62    -3.69     2.23    -173.41      -0.39    -4.08     16
  12       C     0.08     0.33     4.92      -2.94      -0.01     0.32     16
  13       C    -0.12    -0.28     5.71     -27.30      -0.16    -0.44     16
  14       C    -0.17    -0.93     4.61     -28.02      -0.13    -1.06     16
  15       C     0.40     2.64     4.83     -29.79      -0.14     2.50     16
  16       O    -0.75   -12.81    17.78     -57.73      -1.03   -13.83     16
  17       O    -0.73   -12.41    16.84     -57.73      -0.97   -13.38     16
  18       C    -0.21    -1.19     5.75     -28.29      -0.16    -1.36     16
  19       C     0.15     0.57     5.46      -3.79      -0.02     0.54     16
  20       C     0.03     0.36    12.11      30.62       0.37     0.73     16
  21       O    -0.16    -2.42    10.10       5.92       0.06    -2.36     16
  22       H     0.11     2.43     7.70     -52.49      -0.40     2.02     16
  23       H     0.16     3.11     7.45     -52.49      -0.39     2.71     16
  24       H     0.16     1.45     6.92     -52.48      -0.36     1.09     16
  25       H     0.12     0.72     4.41     -51.93      -0.23     0.49     16
  26       H     0.08     0.21     8.10     -51.93      -0.42    -0.21     16
  27       H     0.12     0.18     8.14     -51.93      -0.42    -0.25     16
  28       H     0.08    -0.01     7.31     -51.93      -0.38    -0.39     16
  29       H     0.11     0.79     7.48     -51.93      -0.39     0.40     16
  30       H     0.13     0.89     7.91     -51.93      -0.41     0.48     16
  31       H     0.14     0.40     7.36     -51.93      -0.38     0.02     16
  32       H     0.32     4.98     8.90      45.56       0.41     5.39     16
  33       H     0.32     5.02     8.90      45.56       0.41     5.42     16
  34       H     0.11     0.94     8.14     -51.92      -0.42     0.52     16
  35       H     0.13     0.68     8.14     -51.93      -0.42     0.25     16
  36       H     0.10     0.02     8.07     -51.93      -0.42    -0.40     16
  37       H     0.13     0.58     7.25     -51.93      -0.38     0.20     16
  38       H     0.21     1.91     8.06     -52.49      -0.42     1.49     16
 Total:         -1.00   -47.99   326.60                 -5.07   -53.07