REAL300009850699.mol2 38                                                        
   1       C     0.02     0.62    10.15     113.37       1.15     1.77     16
   2       O    -0.38   -18.03     9.71    -120.79      -1.17   -19.20     16
   3       C     0.02     1.10     0.91     -12.29      -0.01     1.09     16
   4       C    -0.15    -5.12     8.06      71.98       0.58    -4.54     16
   5       C     0.47    27.08     6.46      71.24       0.46    27.54     16
   6       O    -0.70   -45.80    14.79      25.16       0.37   -45.43     16
   7       O    -0.69   -40.41    16.46      19.05       0.31   -40.10     16
   8       C     0.55    22.90     6.27      87.66       0.55    23.45     16
   9       O    -0.54   -24.53    14.17      16.01       0.23   -24.30     16
  10       N    -0.65   -21.20     4.91    -303.57      -1.49   -22.69     16
  11       C     0.17     4.37     6.26      38.24       0.24     4.61     16
  12       C    -0.12    -1.81     9.69      22.67       0.22    -1.59     16
  13       C    -0.03    -0.39     5.74     -21.25      -0.12    -0.51     16
  14       C    -0.01    -0.07     9.73      22.30       0.22     0.15     16
  15       C    -0.11    -1.43     9.65      22.23       0.21    -1.21     16
  16       C     0.32     6.88     9.78      22.86       0.22     7.10     16
  17       O    -0.75   -28.59    17.19    -127.47      -2.19   -30.79     16
  18       O    -0.73   -26.01    17.20    -127.47      -2.19   -28.20     16
  19       C    -0.07    -1.35     9.49      22.79       0.22    -1.13     16
  20       C    -0.04    -0.62     5.74     -21.28      -0.12    -0.74     16
  21       C    -0.06    -1.34     9.74      22.33       0.22    -1.12     16
  22       C    -0.12    -3.38     8.55      22.16       0.19    -3.20     16
  23       H     0.06     1.88     6.42      -2.39      -0.02     1.86     16
  24       H     0.05     2.41     5.41      -2.39      -0.01     2.40     16
  25       H     0.10     3.40     8.14      -2.39      -0.02     3.39     16
  26       H     0.09     2.71     7.40      -2.39      -0.02     2.69     16
  27       H     0.07     2.39     6.54      -2.39      -0.02     2.38     16
  28       H     0.09     2.46     8.14      -2.39      -0.02     2.44     16
  29       H     0.43    13.01     7.07     -92.71      -0.66    12.36     16
  30       H     0.19     1.40     8.06      -2.91      -0.02     1.38     16
  31       H     0.23    -0.68     8.06      -2.91      -0.02    -0.70     16
  32       H     0.19     2.11     7.73      -2.91      -0.02     2.08     16
  33       H     0.33    11.00     8.90     -74.06      -0.66    10.34     16
  34       H     0.33    10.44     8.90     -74.06      -0.66     9.78     16
  35       H     0.18     3.40     7.73      -2.91      -0.02     3.38     16
  36       H     0.16     2.63     8.06      -2.91      -0.02     2.60     16
  37       H     0.12     4.11     6.39      -2.91      -0.02     4.09     16
 Total:         -1.00   -94.45   323.60                 -4.12   -98.58