REAL300009850710.mol2 39                                                        
   1       O    -0.69   -48.21    17.77      17.29       0.31   -47.90     16
   2       C     0.54    35.82     8.03      69.98       0.56    36.38     16
   3       O    -0.71   -50.67    18.01      20.28       0.37   -50.31     16
   4       C    -0.09    -4.50     7.17      24.37       0.17    -4.32     16
   5       C    -0.17    -7.12    10.64      22.56       0.24    -6.88     16
   6       C    -0.16    -4.74    10.88      22.60       0.25    -4.50     16
   7       C    -0.03    -1.08     7.02      24.38       0.17    -0.91     16
   8       C     0.03     0.76     9.64      23.70       0.23     0.99     16
   9       C    -0.21    -4.14     9.67      23.71       0.23    -3.91     16
  10       C     0.56     9.34     7.58      86.38       0.65     9.99     16
  11       O    -0.54   -11.51    13.63      -4.36      -0.06   -11.57     16
  12       N    -0.66    -6.38     5.30    -307.36      -1.63    -8.00     16
  13       C     0.17     1.52     6.28      38.28       0.24     1.76     16
  14       C    -0.12    -0.41     9.69      22.68       0.22    -0.19     16
  15       C    -0.03    -0.16     5.74     -21.25      -0.12    -0.28     16
  16       C    -0.01    -0.01     9.73      22.31       0.22     0.20     16
  17       C    -0.12    -1.01     9.65      22.23       0.21    -0.79     16
  18       C     0.32     5.30     9.78      22.86       0.22     5.53     16
  19       O    -0.75   -25.75    17.19    -127.47      -2.19   -27.94     16
  20       O    -0.74   -24.34    17.20    -127.47      -2.19   -26.53     16
  21       C    -0.07    -0.90     9.49      22.79       0.22    -0.68     16
  22       C    -0.04    -0.30     5.74     -21.28      -0.12    -0.42     16
  23       C    -0.07    -0.61     9.74      22.33       0.22    -0.39     16
  24       C    -0.11    -1.21     8.58      22.16       0.19    -1.02     16
  25       O    -0.16    -7.11    10.28      -3.82      -0.04    -7.15     16
  26       H     0.16     6.28     8.06      -2.91      -0.02     6.26     16
  27       H     0.20     3.95     8.06      -2.91      -0.02     3.92     16
  28       H     0.19     3.10     7.53      -2.91      -0.02     3.08     16
  29       H     0.14     2.78     7.78      -2.91      -0.02     2.76     16
  30       H     0.43     1.81     8.79     -92.71      -0.82     0.99     16
  31       H     0.18    -0.62     8.06      -2.91      -0.02    -0.65     16
  32       H     0.22    -1.75     8.06      -2.91      -0.02    -1.77     16
  33       H     0.18     1.51     7.73      -2.91      -0.02     1.48     16
  34       H     0.33     9.93     8.90     -74.06      -0.66     9.27     16
  35       H     0.33     9.64     8.90     -74.05      -0.66     8.98     16
  36       H     0.18     2.27     7.73      -2.91      -0.02     2.24     16
  37       H     0.16     0.78     8.06      -2.92      -0.02     0.76     16
  38       H     0.14     2.03     6.18      -2.91      -0.02     2.01     16
 Total:         -1.00  -105.70   358.28                 -3.80  -109.50