REAL300009850879.mol2 38                                                        
   1       O    -0.68   -22.83    18.00     -20.22      -0.36   -23.19     16
   2       C     0.49    15.00     5.31      36.01       0.19    15.19     16
   3       O    -0.67   -22.40    17.34     -20.22      -0.35   -22.75     16
   4       C     0.04     0.83     3.29     -68.14      -0.22     0.60     16
   5       C    -0.08    -1.57     6.38     -27.04      -0.17    -1.75     16
   6       C    -0.01    -0.24     7.27     -80.12      -0.58    -0.82     16
   7       C     0.62     8.74     7.77     -13.03      -0.10     8.64     16
   8       O    -0.50    -8.31    16.48       5.17       0.09    -8.22     16
   9       N    -0.70    -6.18     5.56     -55.24      -0.31    -6.49     16
  10       C     0.10     0.73     6.43     -67.93      -0.44     0.29     16
  11       H     0.19     1.74     7.40     -51.93      -0.38     1.35     16
  12       C    -0.16    -0.58    10.46     -26.73      -0.28    -0.85     16
  13       C     0.29     2.03     9.70     -26.73      -0.26     1.77     16
  14       H     0.19     0.52     8.14     -51.93      -0.42     0.09     16
  15       O    -0.72   -11.86    17.78     -57.73      -1.03   -12.88     16
  16       O    -0.68   -12.21    17.78     -57.73      -1.03   -13.23     16
  17       N    -0.17    -2.99    10.89      34.93       0.38    -2.61     16
  18       N    -0.41    -8.79     3.52     -52.29      -0.18    -8.97     16
  19       C     0.24     4.79     6.40     -83.78      -0.54     4.26     16
  20       C    -0.15    -3.02     9.02     -39.37      -0.36    -3.37     16
  21       C    -0.08    -1.35    10.04     -39.61      -0.40    -1.75     16
  22       C    -0.17    -2.38    10.04     -39.54      -0.40    -2.78     16
  23       C    -0.09    -1.29    10.04     -39.61      -0.40    -1.69     16
  24       C    -0.17    -2.75     9.64     -39.36      -0.38    -3.13     16
  25       H     0.09     1.94     8.14     -51.93      -0.42     1.52     16
  26       H     0.10     2.19     7.72     -51.93      -0.40     1.79     16
  27       H     0.10     1.62     8.14     -51.93      -0.42     1.20     16
  28       H     0.42     2.72     8.45     -40.82      -0.34     2.38     16
  29       H     0.15     0.02     8.14     -51.93      -0.42    -0.41     16
  30       H     0.17     0.61     8.14     -51.93      -0.42     0.19     16
  31       H     0.32     4.74     8.90      45.56       0.41     5.15     16
  32       H     0.33     5.03     8.90      45.56       0.41     5.44     16
  33       H     0.13     2.89     6.37     -52.49      -0.33     2.55     16
  34       H     0.12     1.71     8.06     -52.49      -0.42     1.28     16
  35       H     0.12     1.30     8.06     -52.49      -0.42     0.88     16
  36       H     0.12     1.28     8.06     -52.49      -0.42     0.86     16
  37       H     0.12     1.82     7.66     -52.49      -0.40     1.41     16
 Total:         -1.00   -46.51   339.45                 -6.44   -52.95