REAL300009850675.mol2 37                                                        
   1       O    -0.74   -54.30    16.88      19.04       0.32   -53.98     16
   2       C     0.45    30.20     8.05      71.23       0.57    30.78     16
   3       O    -0.75   -55.61    18.00      19.07       0.34   -55.27     16
   4       C    -0.16    -7.30     5.78      29.85       0.17    -7.13     16
   5       C    -0.07    -2.87     3.79      30.60       0.12    -2.75     16
   6       C    -0.12    -2.55     5.70      29.85       0.17    -2.38     16
   7       C     0.52    10.90     7.55      87.66       0.66    11.56     16
   8       O    -0.56   -18.06    13.65      -3.03      -0.04   -18.10     16
   9       N    -0.66    -6.74     5.32    -303.58      -1.61    -8.35     16
  10       C     0.17     1.94     6.26      38.23       0.24     2.18     16
  11       C    -0.12    -0.45     9.69      22.67       0.22    -0.23     16
  12       C    -0.03    -0.19     5.74     -21.25      -0.12    -0.31     16
  13       C    -0.01    -0.01     9.73      22.31       0.22     0.21     16
  14       C    -0.12    -1.05     9.65      22.23       0.21    -0.83     16
  15       C     0.32     5.81     9.78      22.86       0.22     6.03     16
  16       O    -0.76   -27.45    17.19    -127.47      -2.19   -29.64     16
  17       O    -0.73   -24.75    17.20    -127.47      -2.19   -26.94     16
  18       C    -0.08    -1.16     9.49      22.79       0.22    -0.94     16
  19       C    -0.04    -0.42     5.74     -21.29      -0.12    -0.54     16
  20       C    -0.08    -1.01     9.74      22.34       0.22    -0.79     16
  21       C    -0.11    -1.87     8.54      22.16       0.19    -1.68     16
  22       H     0.09     3.49     8.14      -2.39      -0.02     3.47     16
  23       H     0.09     3.47     8.14      -2.39      -0.02     3.45     16
  24       H     0.04     1.64     8.06      -2.39      -0.02     1.62     16
  25       H     0.04     1.64     8.06      -2.39      -0.02     1.62     16
  26       H     0.13     1.79     8.14      -2.38      -0.02     1.77     16
  27       H     0.13     1.84     8.14      -2.39      -0.02     1.82     16
  28       H     0.44     0.37     8.81     -92.70      -0.82    -0.44     16
  29       H     0.19    -0.97     8.06      -2.91      -0.02    -1.00     16
  30       H     0.23    -2.08     8.06      -2.91      -0.02    -2.10     16
  31       H     0.18     1.50     7.73      -2.91      -0.02     1.48     16
  32       H     0.33    10.52     8.90     -74.05      -0.66     9.86     16
  33       H     0.33     9.91     8.90     -74.06      -0.66     9.26     16
  34       H     0.17     2.83     7.73      -2.91      -0.02     2.81     16
  35       H     0.15     1.68     8.06      -2.91      -0.02     1.65     16
  36       H     0.13     2.77     6.39      -2.91      -0.02     2.75     16
 Total:         -1.00  -116.54   324.80                 -4.57  -121.11