REAL300009850678.mol2 37                                                        
   1       C    -0.11    -3.79     8.28      71.98       0.60    -3.20     16
   2       C    -0.15    -6.36     0.79     -53.67      -0.04    -6.41     16
   3       C    -0.11    -3.71     8.29      71.98       0.60    -3.11     16
   4       C     0.48    30.39     6.71      71.23       0.48    30.87     16
   5       O    -0.71   -51.93    15.07      26.44       0.40   -51.53     16
   6       O    -0.74   -51.27    17.67      19.07       0.34   -50.93     16
   7       C     0.52    20.38     6.31      87.66       0.55    20.94     16
   8       O    -0.52   -26.28    11.56      20.41       0.24   -26.04     16
   9       N    -0.66   -15.03     5.09    -303.58      -1.55   -16.58     16
  10       C     0.17     3.50     6.28      38.24       0.24     3.74     16
  11       C    -0.11    -1.18     9.69      22.67       0.22    -0.96     16
  12       C    -0.03    -0.34     5.74     -21.25      -0.12    -0.46     16
  13       C    -0.01    -0.03     9.73      22.31       0.22     0.18     16
  14       C    -0.12    -1.33     9.65      22.23       0.21    -1.12     16
  15       C     0.32     6.70     9.78      22.86       0.22     6.92     16
  16       O    -0.73   -25.83    17.20    -127.47      -2.19   -28.02     16
  17       O    -0.76   -29.00    17.19    -127.47      -2.19   -31.19     16
  18       C    -0.08    -1.42     9.49      22.79       0.22    -1.20     16
  19       C    -0.04    -0.59     5.74     -21.28      -0.12    -0.71     16
  20       C    -0.08    -1.49     9.74      22.33       0.22    -1.27     16
  21       C    -0.12    -3.04     8.58      22.16       0.19    -2.85     16
  22       H     0.11     2.16     7.47      -2.39      -0.02     2.15     16
  23       H     0.06     2.26     8.09      -2.39      -0.02     2.24     16
  24       H     0.03     1.26     8.14      -2.39      -0.02     1.24     16
  25       H     0.03     1.26     8.14      -2.39      -0.02     1.24     16
  26       H     0.06     2.21     8.09      -2.39      -0.02     2.19     16
  27       H     0.11     2.13     7.67      -2.39      -0.02     2.11     16
  28       H     0.43     5.56     7.67     -92.71      -0.71     4.85     16
  29       H     0.19     0.15     8.06      -2.91      -0.02     0.13     16
  30       H     0.23    -1.39     8.06      -2.91      -0.02    -1.42     16
  31       H     0.19     1.89     7.73      -2.91      -0.02     1.87     16
  32       H     0.33    10.39     8.90     -74.06      -0.66     9.73     16
  33       H     0.33    11.09     8.90     -74.06      -0.66    10.43     16
  34       H     0.17     3.42     7.73      -2.91      -0.02     3.40     16
  35       H     0.15     2.61     8.06      -2.91      -0.02     2.58     16
  36       H     0.12     4.05     6.18      -2.91      -0.02     4.03     16
 Total:         -1.00  -112.61   317.48                 -3.56  -116.17