REAL300009850759.mol2 39                                                        
   1       O    -0.73   -54.21    17.00      16.77       0.29   -53.92     16
   2       C     0.49    33.74     7.79      68.47       0.53    34.27     16
   3       O    -0.74   -56.29    17.99      16.77       0.30   -55.99     16
   4       C    -0.20   -10.61     9.49      22.39       0.21   -10.40     16
   5       C    -0.04    -1.75     9.37      22.54       0.21    -1.53     16
   6       C     0.01     0.28     6.77      22.70       0.15     0.43     16
   7       C    -0.14    -4.49    10.82      22.72       0.25    -4.25     16
   8       C    -0.25    -6.31     5.39     -20.08      -0.11    -6.42     16
   9       C     0.59    15.37     7.61      86.69       0.66    16.03     16
  10       O    -0.58   -21.78    16.53      -4.00      -0.07   -21.85     16
  11       N    -0.60    -8.37     2.97    -822.70      -2.45   -10.82     16
  12       C     0.07     0.23     5.70      86.36       0.49     0.72     16
  13       C    -0.13     0.17     6.08      30.67       0.19     0.36     16
  14       C    -0.09     0.66     5.17      30.62       0.16     0.82     16
  15       C    -0.16    -0.49     2.14     -10.71      -0.02    -0.51     16
  16       C     0.40    -0.08     8.83      71.98       0.64     0.55     16
  17       O    -0.78   -24.26    17.78    -127.47      -2.27   -26.53     16
  18       O    -0.76   -25.42    16.40    -127.47      -2.09   -27.51     16
  19       C     0.11     1.25     5.71      86.37       0.49     1.75     16
  20       C     0.05     0.95     9.72      67.75       0.66     1.61     16
  21       O    -0.16    -4.64    10.10      -1.77      -0.02    -4.65     16
  22       H     0.13     6.04     7.70      -2.91      -0.02     6.02     16
  23       H     0.14     6.75     7.45      -2.91      -0.02     6.73     16
  24       H     0.15     5.02     8.06      -2.91      -0.02     5.00     16
  25       H     0.09     0.50     4.16      -2.39      -0.01     0.49     16
  26       H     0.12    -0.56     8.14      -2.39      -0.02    -0.57     16
  27       H     0.05     0.27     8.14      -2.39      -0.02     0.25     16
  28       H     0.13    -0.81     8.14      -2.39      -0.02    -0.83     16
  29       H     0.12    -1.52     8.14      -2.39      -0.02    -1.53     16
  30       H     0.13    -1.87     8.14      -2.38      -0.02    -1.89     16
  31       H     0.10     1.14     7.74      -2.39      -0.02     1.12     16
  32       H     0.19    -1.92     8.14      -2.39      -0.02    -1.94     16
  33       H     0.20    -2.16     8.14      -2.39      -0.02    -2.18     16
  34       H     0.32     9.91     8.90     -74.06      -0.66     9.25     16
  35       H     0.32    10.76     8.90     -74.06      -0.66    10.10     16
  36       H     0.12     0.41     8.14      -2.39      -0.02     0.39     16
  37       H     0.06     1.50     6.62      -2.39      -0.02     1.48     16
  38       H     0.27     1.44     7.04      -2.91      -0.02     1.42     16
 Total:         -1.00  -131.13   331.07                 -3.40  -134.53