REAL300009850676.mol2 35                                                        
   1       O    -0.72   -54.92    17.40      25.15       0.44   -54.48     16
   2       C     0.47    31.19     8.13      71.24       0.58    31.77     16
   3       O    -0.73   -53.08    18.00      19.05       0.34   -52.73     16
   4       C     0.03     1.17     6.50      71.24       0.46     1.64     16
   5       O    -0.39   -17.09     9.41    -120.79      -1.14   -18.22     16
   6       C     0.03     0.67     6.42      71.24       0.46     1.13     16
   7       C     0.52    12.55     7.63      87.66       0.67    13.22     16
   8       O    -0.54   -20.21    14.16      16.01       0.23   -19.98     16
   9       N    -0.65    -7.43     5.32    -303.58      -1.61    -9.04     16
  10       C     0.17     2.09     6.26      38.23       0.24     2.32     16
  11       C    -0.11    -0.45     9.69      22.67       0.22    -0.23     16
  12       C    -0.03    -0.20     5.74     -21.25      -0.12    -0.32     16
  13       C    -0.01    -0.01     9.73      22.31       0.22     0.21     16
  14       C    -0.12    -1.04     9.65      22.23       0.21    -0.82     16
  15       C     0.32     5.87     9.78      22.86       0.22     6.09     16
  16       O    -0.76   -27.61    17.19    -127.47      -2.19   -29.80     16
  17       O    -0.73   -24.74    17.20    -127.47      -2.19   -26.93     16
  18       C    -0.08    -1.20     9.49      22.79       0.22    -0.98     16
  19       C    -0.04    -0.42     5.74     -21.29      -0.12    -0.54     16
  20       C    -0.08    -1.07     9.74      22.34       0.22    -0.86     16
  21       C    -0.12    -2.06     8.54      22.16       0.19    -1.87     16
  22       H     0.08     3.29     8.14      -2.39      -0.02     3.27     16
  23       H     0.08     3.27     8.14      -2.39      -0.02     3.25     16
  24       H     0.12     1.87     8.14      -2.38      -0.02     1.85     16
  25       H     0.12     1.91     8.14      -2.39      -0.02     1.89     16
  26       H     0.44     0.48     8.81     -92.70      -0.82    -0.34     16
  27       H     0.20    -1.05     8.06      -2.91      -0.02    -1.07     16
  28       H     0.23    -2.17     8.06      -2.91      -0.02    -2.19     16
  29       H     0.18     1.48     7.73      -2.91      -0.02     1.46     16
  30       H     0.33    10.58     8.90     -74.05      -0.66     9.92     16
  31       H     0.33     9.93     8.90     -74.06      -0.66     9.27     16
  32       H     0.17     2.90     7.73      -2.91      -0.02     2.88     16
  33       H     0.15     1.84     8.06      -2.91      -0.02     1.82     16
  34       H     0.12     2.98     6.39      -2.91      -0.02     2.96     16
 Total:         -1.00  -120.63   316.93                 -4.81  -125.45