REAL300009850830.mol2 39                                                        
   1       O    -0.67   -23.23    17.40     -26.63      -0.46   -23.70     16
   2       C     0.50    15.80     8.13      36.01       0.29    16.10     16
   3       O    -0.68   -23.46    18.00     -20.23      -0.36   -23.83     16
   4       C    -0.01    -0.27     5.29      36.01       0.19    -0.08     16
   5       O    -0.27    -5.97     9.66     -38.69      -0.37    -6.35     16
   6       C     0.17     2.82     6.70     -39.02      -0.26     2.55     16
   7       C    -0.22    -3.14     9.01     -39.49      -0.36    -3.50     16
   8       C    -0.02    -0.23     9.73     -39.22      -0.38    -0.61     16
   9       C    -0.20    -2.11     5.00    -104.96      -0.52    -2.64     16
  10       C     0.58     5.93     7.22     -12.44      -0.09     5.84     16
  11       O    -0.51    -7.24    16.47       5.29       0.09    -7.15     16
  12       N    -0.60    -3.86     2.98    -174.23      -0.52    -4.38     16
  13       C     0.07     0.24     5.34      -3.93      -0.02     0.22     16
  14       C    -0.12    -0.18     6.06     -26.83      -0.16    -0.34     16
  15       C    -0.17    -0.63     4.65     -26.69      -0.12    -0.75     16
  16       C     0.38     2.50     5.91     -26.62      -0.16     2.34     16
  17       O    -0.71   -11.52    17.67     -57.73      -1.02   -12.54     16
  18       O    -0.73   -10.86    16.79     -57.73      -0.97   -11.83     16
  19       C     0.07     0.45     6.29      -3.71      -0.02     0.43     16
  20       C    -0.05    -0.49     7.35     -39.21      -0.29    -0.78     16
  21       C    -0.16    -2.08     9.97     -39.50      -0.39    -2.48     16
  22       H     0.06     1.34     7.66     -51.93      -0.40     0.94     16
  23       H     0.06     1.37     7.64     -51.93      -0.40     0.97     16
  24       H     0.14     1.93     6.28     -52.48      -0.33     1.60     16
  25       H     0.13     1.37     8.06     -52.49      -0.42     0.94     16
  26       H     0.12     0.48     4.57     -51.93      -0.24     0.24     16
  27       H     0.09     0.14     8.14     -51.93      -0.42    -0.28     16
  28       H     0.12    -0.03     8.14     -51.93      -0.42    -0.45     16
  29       H     0.09     0.12     8.14     -51.93      -0.42    -0.30     16
  30       H     0.11     0.46     8.14     -51.93      -0.42     0.04     16
  31       H     0.11     0.48     8.13     -51.93      -0.42     0.06     16
  32       H     0.15     0.64     8.14     -51.93      -0.42     0.22     16
  33       H     0.33     4.59     8.90      45.56       0.41     5.00     16
  34       H     0.32     4.36     8.90      45.56       0.41     4.77     16
  35       H     0.11     0.66     8.14     -51.93      -0.42     0.24     16
  36       H     0.13     1.26     7.02     -51.93      -0.36     0.90     16
  37       H     0.13     0.83     7.08     -52.49      -0.37     0.46     16
  38       H     0.14     1.67     8.06     -52.49      -0.42     1.25     16
 Total:         -1.00   -45.88   326.77                 -6.09   -51.97