REAL300009850663.mol2 39                                                        
   1       O    -0.67   -23.48    17.40     -26.63      -0.46   -23.94     16
   2       C     0.50    16.00     8.13      36.01       0.29    16.29     16
   3       O    -0.68   -23.70    18.00     -20.23      -0.36   -24.06     16
   4       C    -0.01    -0.28     5.29      36.01       0.19    -0.09     16
   5       O    -0.27    -6.09     9.66     -38.68      -0.37    -6.46     16
   6       C     0.17     2.88     6.70     -39.02      -0.26     2.62     16
   7       C    -0.22    -3.23     9.01     -39.50      -0.36    -3.59     16
   8       C    -0.02    -0.24     9.73     -39.22      -0.38    -0.62     16
   9       C    -0.20    -2.16     5.00    -104.96      -0.52    -2.68     16
  10       C     0.58     5.54     7.22     -12.44      -0.09     5.45     16
  11       O    -0.52    -6.69    16.47       5.29       0.09    -6.60     16
  12       N    -0.63    -3.32     2.98    -174.23      -0.52    -3.84     16
  13       C     0.12     0.36     5.34      -3.93      -0.02     0.34     16
  14       C    -0.18    -0.85     5.27     -26.83      -0.14    -0.99     16
  15       C     0.39     2.07     5.89     -26.69      -0.16     1.91     16
  16       O    -0.73   -11.58    16.88     -57.73      -0.97   -12.55     16
  17       O    -0.74   -11.61    16.88     -57.73      -0.97   -12.58     16
  18       C    -0.18    -0.79     5.29     -26.61      -0.14    -0.93     16
  19       C     0.13     0.43     6.43      -3.71      -0.02     0.40     16
  20       C    -0.06    -0.53     7.35     -39.21      -0.29    -0.82     16
  21       C    -0.16    -2.12     9.97     -39.49      -0.39    -2.51     16
  22       H     0.06     1.38     7.66     -51.93      -0.40     0.98     16
  23       H     0.06     1.39     7.64     -51.93      -0.40     0.99     16
  24       H     0.14     2.00     6.28     -52.49      -0.33     1.67     16
  25       H     0.13     1.41     8.06     -52.48      -0.42     0.99     16
  26       H     0.14     0.58     4.57     -51.93      -0.24     0.34     16
  27       H     0.09     0.00     8.14     -51.93      -0.42    -0.42     16
  28       H     0.13     0.65     7.87     -51.93      -0.41     0.24     16
  29       H     0.11     0.71     8.14     -51.93      -0.42     0.29     16
  30       H     0.15     0.18     8.14     -51.93      -0.42    -0.24     16
  31       H     0.32     4.72     8.90      45.56       0.41     5.12     16
  32       H     0.32     4.65     8.90      45.56       0.41     5.06     16
  33       H     0.13     0.57     7.88     -51.93      -0.41     0.16     16
  34       H     0.11     0.66     8.14     -51.93      -0.42     0.24     16
  35       H     0.09     0.04     8.14     -51.93      -0.42    -0.38     16
  36       H     0.13     0.59     7.02     -51.92      -0.36     0.22     16
  37       H     0.13     0.76     7.08     -52.48      -0.37     0.39     16
  38       H     0.14     1.70     8.06     -52.49      -0.42     1.28     16
 Total:         -1.00   -47.40   325.52                 -6.04   -53.43