REAL300009850683.mol2 38                                                        
   1       C     0.06     0.64     9.75     127.77       1.25     1.88     16
   2       N    -0.34    -9.68     4.01    -355.77      -1.43   -11.11     16
   3       N    -0.27    -9.47    12.50     -56.54      -0.71   -10.18     16
   4       C     0.07     2.89    11.79      85.45       1.01     3.90     16
   5       C    -0.26   -13.60     6.15     -19.95      -0.12   -13.72     16
   6       C     0.52    35.42     8.05      70.24       0.57    35.98     16
   7       O    -0.74   -54.94    17.82      17.76       0.32   -54.62     16
   8       O    -0.68   -50.08    14.17      25.33       0.36   -49.72     16
   9       C     0.05     2.02     6.96      41.40       0.29     2.31     16
  10       C     0.57    20.76     7.49      86.69       0.65    21.41     16
  11       O    -0.46   -22.71    10.95      19.77       0.22   -22.49     16
  12       N    -0.66   -13.23     5.14    -306.47      -1.57   -14.81     16
  13       C     0.17     3.04     6.26      38.28       0.24     3.28     16
  14       C    -0.11    -0.75     9.69      22.68       0.22    -0.53     16
  15       C    -0.03    -0.26     5.74     -21.25      -0.12    -0.38     16
  16       C     0.00    -0.01     9.73      22.31       0.22     0.21     16
  17       C    -0.12    -1.12     9.65      22.23       0.21    -0.90     16
  18       C     0.32     6.34     9.78      22.86       0.22     6.56     16
  19       O    -0.76   -28.66    17.19    -127.47      -2.19   -30.85     16
  20       O    -0.73   -25.12    17.20    -127.47      -2.19   -27.32     16
  21       C    -0.08    -1.38     9.49      22.79       0.22    -1.17     16
  22       C    -0.03    -0.48     5.74     -21.28      -0.12    -0.61     16
  23       C    -0.07    -1.38     9.74      22.34       0.22    -1.16     16
  24       C    -0.12    -2.87     8.54      22.16       0.19    -2.68     16
  25       H     0.12     0.55     7.99      -2.39      -0.02     0.53     16
  26       H     0.13     0.86     8.14      -2.39      -0.02     0.84     16
  27       H     0.11     0.50     6.31      -2.38      -0.02     0.48     16
  28       H     0.20     7.96     8.06      -2.91      -0.02     7.94     16
  29       H     0.43     4.25     4.62     -92.71      -0.43     3.82     16
  30       H     0.20    -0.74     8.06      -2.91      -0.02    -0.77     16
  31       H     0.23    -2.12     8.06      -2.91      -0.02    -2.15     16
  32       H     0.19     1.57     7.73      -2.91      -0.02     1.55     16
  33       H     0.33    10.96     8.90     -74.06      -0.66    10.30     16
  34       H     0.33    10.15     8.90     -74.06      -0.66     9.49     16
  35       H     0.17     3.30     7.73      -2.91      -0.02     3.28     16
  36       H     0.15     2.58     8.06      -2.91      -0.02     2.55     16
  37       H     0.11     3.85     6.37      -2.91      -0.02     3.83     16
 Total:         -1.00  -120.99   332.46                 -4.03  -125.02