REAL300009850690.mol2 39                                                        
   1       O    -0.71   -44.26    16.33      19.05       0.31   -43.95     16
   2       C     0.50    28.91     6.75      71.24       0.48    29.39     16
   3       O    -0.72   -46.41    17.04      19.05       0.32   -46.09     16
   4       C    -0.16    -7.03     0.76     -52.56      -0.04    -7.07     16
   5       C     0.56    22.69     5.80      87.66       0.51    23.20     16
   6       O    -0.55   -23.19    13.20      -3.05      -0.04   -23.23     16
   7       N    -0.65   -21.55     4.55    -303.57      -1.38   -22.93     16
   8       C     0.17     4.64     6.26      38.24       0.24     4.88     16
   9       C    -0.13    -2.07     9.69      22.67       0.22    -1.85     16
  10       C    -0.03    -0.40     5.75     -21.25      -0.12    -0.52     16
  11       C    -0.01    -0.10     9.73      22.31       0.22     0.12     16
  12       C    -0.11    -1.51     9.65      22.23       0.21    -1.30     16
  13       C     0.32     7.00     9.78      22.86       0.22     7.23     16
  14       O    -0.73   -26.32    17.20    -127.47      -2.19   -28.51     16
  15       O    -0.75   -28.74    17.19    -127.47      -2.19   -30.93     16
  16       C    -0.07    -1.36     9.49      22.79       0.22    -1.14     16
  17       C    -0.04    -0.68     5.74     -21.29      -0.12    -0.80     16
  18       C    -0.07    -1.40     9.74      22.33       0.22    -1.18     16
  19       C    -0.12    -3.29     8.55      22.16       0.19    -3.10     16
  20       C    -0.07    -2.52     5.89      30.53       0.18    -2.34     16
  21       C    -0.16    -4.79    10.77      26.26       0.28    -4.50     16
  22       C    -0.16    -5.08    10.78      26.26       0.28    -4.79     16
  23       C    -0.08    -3.15     5.69      30.53       0.17    -2.97     16
  24       H     0.42    13.06     8.51     -92.71      -0.79    12.27     16
  25       H     0.18     1.60     8.06      -2.91      -0.02     1.58     16
  26       H     0.23    -0.44     8.06      -2.91      -0.02    -0.46     16
  27       H     0.19     2.23     7.73      -2.91      -0.02     2.20     16
  28       H     0.33    10.54     8.90     -74.06      -0.66     9.88     16
  29       H     0.33    11.05     8.90     -74.05      -0.66    10.39     16
  30       H     0.18     3.46     7.73      -2.91      -0.02     3.43     16
  31       H     0.16     2.65     8.06      -2.91      -0.02     2.62     16
  32       H     0.12     4.16     6.39      -2.91      -0.02     4.14     16
  33       H     0.09     2.57     7.85      -2.39      -0.02     2.55     16
  34       H     0.08     2.96     7.53      -2.38      -0.02     2.94     16
  35       H     0.17     3.38     8.06      -2.91      -0.02     3.36     16
  36       H     0.15     3.82     8.06      -2.91      -0.02     3.79     16
  37       H     0.06     2.88     7.57      -2.38      -0.02     2.86     16
  38       H     0.07     2.94     7.01      -2.39      -0.02     2.92     16
 Total:         -1.00   -93.73   334.72                 -4.17   -97.89