REAL300009850707.mol2 38                                                        
   1       C     0.05     0.46     9.60     127.77       1.23     1.69     16
   2       N    -0.26    -7.53     3.75    -357.04      -1.34    -8.87     16
   3       N    -0.23   -10.37    11.96     -48.55      -0.58   -10.95     16
   4       C    -0.07    -3.65     7.10      42.21       0.30    -3.35     16
   5       C     0.54    37.66     8.06      70.24       0.57    38.22     16
   6       O    -0.71   -53.14    17.99      17.75       0.32   -52.82     16
   7       O    -0.71   -52.57    17.81      17.75       0.32   -52.25     16
   8       C    -0.13    -5.69    10.56      22.66       0.24    -5.45     16
   9       C    -0.06    -1.73     6.90      40.43       0.28    -1.45     16
  10       C     0.62    14.19     7.62      86.59       0.66    14.85     16
  11       O    -0.52   -15.31    14.40      -4.14      -0.06   -15.37     16
  12       N    -0.66    -6.94     5.19    -306.74      -1.59    -8.54     16
  13       C     0.16     1.41     6.24      38.26       0.24     1.64     16
  14       C    -0.10    -0.13     9.70      22.68       0.22     0.09     16
  15       C    -0.03    -0.10     5.74     -21.26      -0.12    -0.23     16
  16       C    -0.01     0.01     9.73      22.31       0.22     0.23     16
  17       C    -0.12    -0.82     9.65      22.23       0.21    -0.61     16
  18       C     0.32     5.11     9.78      22.86       0.22     5.34     16
  19       O    -0.73   -23.76    17.20    -127.47      -2.19   -25.95     16
  20       O    -0.75   -25.83    17.19    -127.47      -2.19   -28.02     16
  21       C    -0.08    -0.92     9.49      22.79       0.22    -0.71     16
  22       C    -0.03    -0.24     5.74     -21.28      -0.12    -0.36     16
  23       C    -0.07    -0.66     9.74      22.34       0.22    -0.44     16
  24       C    -0.11    -1.33     8.58      22.16       0.19    -1.14     16
  25       H     0.13     0.22     7.92      -2.39      -0.02     0.20     16
  26       H     0.12     1.15     8.14      -2.39      -0.02     1.13     16
  27       H     0.13     0.23     6.41      -2.38      -0.02     0.22     16
  28       H     0.16     7.00     8.06      -2.91      -0.02     6.98     16
  29       H     0.43     1.30     4.48     -92.71      -0.41     0.89     16
  30       H     0.19    -1.46     8.06      -2.91      -0.02    -1.48     16
  31       H     0.23    -2.51     8.06      -2.91      -0.02    -2.54     16
  32       H     0.18     1.21     7.73      -2.91      -0.02     1.19     16
  33       H     0.33     9.49     8.90     -74.06      -0.66     8.83     16
  34       H     0.33     9.95     8.90     -74.06      -0.66     9.29     16
  35       H     0.18     2.30     7.73      -2.91      -0.02     2.28     16
  36       H     0.16     0.99     8.06      -2.91      -0.02     0.96     16
  37       H     0.14     2.29     6.31      -2.91      -0.02     2.27     16
 Total:         -1.00  -119.74   338.48                 -4.50  -124.24