REAL300009850821.mol2 45                                                        
   1       O    -0.70   -23.63    18.00     -20.23      -0.36   -23.99     16
   2       C     0.50    15.40     6.31      36.00       0.23    15.62     16
   3       O    -0.68   -22.98    15.87     -20.23      -0.32   -23.31     16
   4       C    -0.17    -4.06     4.17     -90.96      -0.38    -4.44     16
   5       H     0.08     1.92     8.14     -51.93      -0.42     1.50     16
   6       C    -0.12    -2.66     7.17     -25.91      -0.19    -2.84     16
   7       C    -0.12    -2.26     7.43     -25.92      -0.19    -2.45     16
   8       C    -0.12    -2.53     3.05     -90.96      -0.28    -2.81     16
   9       H     0.08     1.46     6.77     -51.93      -0.35     1.11     16
  10       C     0.56    12.45     5.00     -10.98      -0.05    12.40     16
  11       O    -0.54   -13.42    14.86       5.56       0.08   -13.34     16
  12       N    -0.60   -11.28     2.90    -172.65      -0.50   -11.78     16
  13       C     0.12     1.83     6.30      -3.66      -0.02     1.81     16
  14       C    -0.12    -1.18     5.25     -26.69      -0.14    -1.32     16
  15       C    -0.07    -0.63     0.75    -154.34      -0.12    -0.74     16
  16       C    -0.12    -0.88     6.78     -26.09      -0.18    -1.05     16
  17       C    -0.17    -1.11     2.96     -89.73      -0.27    -1.37     16
  18       C     0.39     2.21     9.53      37.16       0.35     2.57     16
  19       O    -0.71   -11.49    16.53     -57.73      -0.95   -12.44     16
  20       O    -0.75   -12.88    17.78     -57.73      -1.03   -13.91     16
  21       C    -0.10    -0.66     6.41     -26.07      -0.17    -0.82     16
  22       C    -0.11    -1.26     5.20     -26.67      -0.14    -1.40     16
  23       C     0.11     1.84     5.76      -3.65      -0.02     1.82     16
  24       H     0.09     2.45     7.05     -51.93      -0.37     2.09     16
  25       H     0.05     1.05     8.14     -51.93      -0.42     0.62     16
  26       H     0.08     1.19     8.14     -51.93      -0.42     0.77     16
  27       H     0.07     1.35     7.55     -51.93      -0.39     0.96     16
  28       H     0.09     1.59     6.98     -51.93      -0.36     1.23     16
  29       H     0.06     1.00     8.05     -51.92      -0.42     0.58     16
  30       H     0.07     0.78     8.14     -51.93      -0.42     0.36     16
  31       H     0.07     0.56     8.12     -51.93      -0.42     0.14     16
  32       H     0.09     0.49     7.85     -51.93      -0.41     0.09     16
  33       H     0.09     0.78     8.09     -51.93      -0.42     0.36     16
  34       H     0.15     1.24     7.19     -51.93      -0.37     0.86     16
  35       H     0.14     0.32     8.14     -51.93      -0.42    -0.10     16
  36       H     0.14     0.29     7.84     -51.93      -0.41    -0.11     16
  37       H     0.32     4.79     8.90      45.56       0.41     5.19     16
  38       H     0.32     4.99     8.90      45.56       0.41     5.40     16
  39       H     0.10     0.82     7.33     -51.93      -0.38     0.44     16
  40       H     0.10     0.40     8.04     -51.93      -0.42    -0.01     16
  41       H     0.08     0.77     7.30     -51.93      -0.38     0.39     16
  42       H     0.07     0.82     8.14     -51.93      -0.42     0.39     16
  43       H     0.09     1.53     5.58     -51.93      -0.29     1.24     16
  44       H     0.07     1.34     7.41     -51.93      -0.39     0.95     16
 Total:         -1.00   -47.21   345.84                 -6.93   -54.14