REAL300009850707.mol2 38                                                        
   1       C     0.08     0.65     9.60      59.85       0.57     1.23     16
   2       N    -0.30    -4.91     3.75     -64.20      -0.24    -5.15     16
   3       N    -0.22    -5.08    11.96      33.30       0.40    -4.68     16
   4       C    -0.01    -0.39     7.10     -82.96      -0.59    -0.98     16
   5       C     0.56    18.49     8.06      34.47       0.28    18.77     16
   6       O    -0.67   -23.91    17.99     -20.55      -0.37   -24.28     16
   7       O    -0.67   -23.62    17.81     -20.55      -0.37   -23.99     16
   8       C    -0.09    -2.09    10.56     -38.97      -0.41    -2.50     16
   9       C    -0.09    -1.55     6.90     -82.48      -0.57    -2.12     16
  10       C     0.61     8.32     7.62     -12.63      -0.10     8.22     16
  11       O    -0.50    -7.99    14.40       5.25       0.08    -7.91     16
  12       N    -0.69    -6.00     5.19     -10.93      -0.06    -6.06     16
  13       C     0.19     1.44     6.24     -83.78      -0.52     0.92     16
  14       C    -0.14    -0.73     9.70     -38.95      -0.38    -1.10     16
  15       C    -0.03    -0.16     5.74    -106.77      -0.61    -0.78     16
  16       C    -0.06    -0.20     9.73     -39.52      -0.38    -0.58     16
  17       C    -0.11    -0.65     9.65     -39.64      -0.38    -1.03     16
  18       C     0.32     2.84     9.78     -38.66      -0.38     2.46     16
  19       O    -0.68   -10.32    17.20     -57.73      -0.99   -11.31     16
  20       O    -0.68   -10.48    17.19     -57.73      -0.99   -11.47     16
  21       C    -0.08    -0.56     9.49     -38.78      -0.37    -0.93     16
  22       C    -0.04    -0.23     5.74    -106.81      -0.61    -0.84     16
  23       C    -0.07    -0.47     9.74     -39.48      -0.38    -0.85     16
  24       C    -0.10    -0.79     8.58     -39.75      -0.34    -1.13     16
  25       H     0.08     0.47     7.92     -51.93      -0.41     0.05     16
  26       H     0.11     0.88     8.14     -51.93      -0.42     0.46     16
  27       H     0.08     0.44     6.41     -51.93      -0.33     0.10     16
  28       H     0.17     3.59     8.06     -52.48      -0.42     3.16     16
  29       H     0.41     2.43     4.48     -40.82      -0.18     2.25     16
  30       H     0.14     0.33     8.06     -52.49      -0.42    -0.09     16
  31       H     0.17     0.02     8.06     -52.49      -0.42    -0.40     16
  32       H     0.17     0.94     7.73     -52.48      -0.41     0.53     16
  33       H     0.33     4.15     8.90      45.56       0.41     4.56     16
  34       H     0.33     4.21     8.90      45.56       0.41     4.62     16
  35       H     0.18     1.20     7.73     -52.49      -0.41     0.80     16
  36       H     0.15     0.63     8.06     -52.49      -0.42     0.21     16
  37       H     0.16     1.50     6.31     -52.48      -0.33     1.17     16
 Total:         -1.00   -47.58   338.48                 -6.00   -53.57