REAL300009850662.mol2 38                                                        
   1       O    -0.67   -24.95    17.40     -26.63      -0.46   -25.41     16
   2       C     0.50    16.94     8.13      36.01       0.29    17.23     16
   3       O    -0.69   -25.17    18.00     -20.23      -0.36   -25.54     16
   4       C     0.00     0.00     6.50      36.01       0.23     0.24     16
   5       O    -0.35    -8.32     9.86     -55.08      -0.54    -8.86     16
   6       C     0.12     2.11     5.87      36.01       0.21     2.32     16
   7       C     0.08     1.17     7.07     -35.08      -0.25     0.92     16
   8       C    -0.07    -0.92     6.75     -83.02      -0.56    -1.48     16
   9       C     0.61     8.15     7.68     -12.52      -0.10     8.05     16
  10       O    -0.50    -8.31    14.32       5.27       0.08    -8.24     16
  11       N    -0.62    -5.45     2.98    -174.30      -0.52    -5.97     16
  12       C     0.08     0.51     6.30      -3.93      -0.02     0.49     16
  13       C    -0.17    -1.11     5.27     -26.83      -0.14    -1.25     16
  14       C     0.38     2.80     5.89     -26.69      -0.16     2.64     16
  15       O    -0.74   -12.30    16.88     -57.73      -0.97   -13.27     16
  16       O    -0.74   -12.48    16.88     -57.73      -0.97   -13.45     16
  17       C    -0.18    -1.17     5.29     -26.61      -0.14    -1.31     16
  18       C     0.13     0.84     6.42      -3.71      -0.02     0.82     16
  19       N    -0.48    -4.68     7.67     -11.48      -0.09    -4.77     16
  20       C     0.19     1.57    13.19      51.96       0.69     2.25     16
  21       O    -0.18    -2.22    10.73       6.51       0.07    -2.15     16
  22       H     0.05     1.11     8.14     -51.93      -0.42     0.69     16
  23       H     0.05     1.24     8.14     -51.93      -0.42     0.82     16
  24       H     0.07     0.95     8.14     -51.93      -0.42     0.53     16
  25       H     0.10     1.55     6.63     -51.93      -0.34     1.21     16
  26       H     0.19     1.37     3.62     -80.44      -0.29     1.08     16
  27       H     0.08     0.36     8.14     -51.93      -0.42    -0.07     16
  28       H     0.12     0.79     7.87     -51.93      -0.41     0.38     16
  29       H     0.11     0.81     8.14     -51.93      -0.42     0.38     16
  30       H     0.15     0.51     8.14     -51.93      -0.42     0.09     16
  31       H     0.32     4.88     8.90      45.56       0.41     5.28     16
  32       H     0.32     4.94     8.90      45.56       0.41     5.35     16
  33       H     0.13     0.83     7.88     -51.93      -0.41     0.42     16
  34       H     0.11     0.85     8.14     -51.93      -0.42     0.42     16
  35       H     0.09     0.38     8.14     -51.93      -0.42    -0.04     16
  36       H     0.13     1.03     7.03     -51.93      -0.37     0.66     16
  37       H     0.26     0.52     8.06     -52.49      -0.42     0.10     16
 Total:         -1.00   -50.87   323.10                 -3.69   -54.57