REAL300009850692.mol2 38                                                        
   1       O    -0.72   -43.64    16.18      19.06       0.31   -43.33     16
   2       C     0.49    27.98     7.22      71.24       0.51    28.49     16
   3       O    -0.71   -44.72    16.03      19.05       0.31   -44.42     16
   4       C    -0.14    -6.11     2.79     -12.28      -0.03    -6.14     16
   5       C     0.55    21.99     6.37      87.66       0.56    22.55     16
   6       O    -0.55   -22.80    13.31      -3.05      -0.04   -22.84     16
   7       N    -0.66   -21.45     4.79    -303.58      -1.45   -22.90     16
   8       C     0.17     4.53     6.26      38.24       0.24     4.77     16
   9       C    -0.14    -2.67     9.69      22.68       0.22    -2.45     16
  10       C    -0.03    -0.45     5.74     -21.26      -0.12    -0.57     16
  11       C    -0.02    -0.22     9.73      22.30       0.22     0.00     16
  12       C    -0.11    -1.71     9.65      22.23       0.21    -1.50     16
  13       C     0.32     7.08     9.78      22.86       0.22     7.30     16
  14       O    -0.73   -26.95    17.20    -127.47      -2.19   -29.14     16
  15       O    -0.75   -28.07    17.19    -127.47      -2.19   -30.27     16
  16       C    -0.07    -1.20     9.49      22.79       0.22    -0.98     16
  17       C    -0.04    -0.67     5.74     -21.28      -0.12    -0.79     16
  18       C    -0.06    -1.09     9.74      22.34       0.22    -0.87     16
  19       C    -0.11    -2.65     8.54      22.16       0.19    -2.46     16
  20       C    -0.15    -5.95     4.74     -10.79      -0.05    -6.00     16
  21       C    -0.15    -4.40    10.18      30.62       0.31    -4.09     16
  22       C    -0.17    -6.37     9.46      30.62       0.29    -6.09     16
  23       H     0.12     4.43     7.90      -2.39      -0.02     4.41     16
  24       H     0.42    13.21     8.29     -92.71      -0.77    12.44     16
  25       H     0.16     2.69     8.06      -2.91      -0.02     2.67     16
  26       H     0.22     0.62     8.06      -2.91      -0.02     0.60     16
  27       H     0.18     2.60     7.73      -2.91      -0.02     2.58     16
  28       H     0.33    10.68     8.90     -74.06      -0.66    10.02     16
  29       H     0.33    10.89     8.90     -74.06      -0.66    10.23     16
  30       H     0.18     3.22     7.73      -2.91      -0.02     3.20     16
  31       H     0.17     2.01     8.06      -2.91      -0.02     1.98     16
  32       H     0.14     3.65     6.39      -2.92      -0.02     3.63     16
  33       H     0.09     3.91     7.47      -2.39      -0.02     3.89     16
  34       H     0.10     2.77     8.05      -2.39      -0.02     2.75     16
  35       H     0.12     2.83     8.14      -2.39      -0.02     2.81     16
  36       H     0.10     3.31     8.14      -2.39      -0.02     3.29     16
  37       H     0.09     3.66     6.99      -2.39      -0.02     3.64     16
 Total:         -1.00   -89.04   328.64                 -4.52   -93.56