REAL300009850682.mol2 38                                                        
   1       O    -0.72   -44.79    16.57      19.02       0.32   -44.48     16
   2       C     0.51    28.93     7.00      71.24       0.50    29.43     16
   3       O    -0.71   -44.65    16.15      19.04       0.31   -44.34     16
   4       C    -0.19    -8.13     1.21     -53.15      -0.06    -8.19     16
   5       C     0.56    22.23     6.23      87.66       0.55    22.78     16
   6       O    -0.55   -22.82    13.58      -3.03      -0.04   -22.86     16
   7       N    -0.65   -21.73     4.71    -303.58      -1.43   -23.16     16
   8       C     0.17     4.60     6.25      38.24       0.24     4.84     16
   9       C    -0.13    -2.13     9.69      22.68       0.22    -1.91     16
  10       C    -0.03    -0.40     5.74     -21.26      -0.12    -0.53     16
  11       C    -0.01    -0.11     9.73      22.31       0.22     0.11     16
  12       C    -0.11    -1.52     9.65      22.23       0.21    -1.31     16
  13       C     0.32     7.00     9.78      22.86       0.22     7.22     16
  14       O    -0.75   -28.64    17.19    -127.47      -2.19   -30.83     16
  15       O    -0.73   -26.34    17.20    -127.47      -2.19   -28.53     16
  16       C    -0.07    -1.34     9.49      22.79       0.22    -1.12     16
  17       C    -0.04    -0.68     5.74     -21.28      -0.12    -0.80     16
  18       C    -0.07    -1.36     9.74      22.34       0.22    -1.14     16
  19       C    -0.12    -3.24     8.55      22.16       0.19    -3.05     16
  20       C    -0.09    -3.23     7.07      31.18       0.22    -3.01     16
  21       C    -0.12    -4.16     7.64      31.18       0.24    -3.92     16
  22       C    -0.10    -3.99     6.97      31.12       0.22    -3.78     16
  23       H     0.42    13.44     8.41     -92.71      -0.78    12.66     16
  24       H     0.18     1.71     8.06      -2.91      -0.02     1.69     16
  25       H     0.22    -0.34     8.06      -2.91      -0.02    -0.37     16
  26       H     0.19     2.25     7.73      -2.91      -0.02     2.23     16
  27       H     0.33    11.02     8.90     -74.06      -0.66    10.36     16
  28       H     0.33    10.54     8.90     -74.05      -0.66     9.88     16
  29       H     0.18     3.43     7.73      -2.91      -0.02     3.41     16
  30       H     0.16     2.59     8.06      -2.91      -0.02     2.56     16
  31       H     0.12     4.13     6.40      -2.91      -0.02     4.11     16
  32       H     0.11     2.90     8.09      -2.39      -0.02     2.88     16
  33       H     0.07     2.44     8.09      -2.39      -0.02     2.42     16
  34       H     0.07     2.89     7.03      -2.39      -0.02     2.87     16
  35       H     0.10     2.62     8.14      -2.39      -0.02     2.60     16
  36       H     0.04     1.90     8.09      -2.39      -0.02     1.88     16
  37       H     0.10     3.62     7.45      -2.38      -0.02     3.60     16
 Total:         -1.00   -91.35   325.06                 -4.43   -95.78