REAL300009850831.mol2 39                                                        
   1       O    -0.67   -23.74    17.40     -26.62      -0.46   -24.20     16
   2       C     0.50    16.07     8.13      36.00       0.29    16.36     16
   3       O    -0.69   -23.75    18.00     -20.23      -0.36   -24.11     16
   4       C    -0.01    -0.21     5.30      36.00       0.19    -0.02     16
   5       O    -0.28    -6.33     9.67     -39.32      -0.38    -6.71     16
   6       C     0.14     2.48     6.68     -39.28      -0.26     2.21     16
   7       C    -0.19    -2.65     9.03     -39.35      -0.36    -3.01     16
   8       C    -0.08    -0.77    10.03     -39.66      -0.40    -1.17     16
   9       C    -0.15    -1.33     7.36     -39.17      -0.29    -1.62     16
  10       C    -0.10    -1.11     5.00    -104.98      -0.53    -1.64     16
  11       C     0.57     6.33     7.24     -12.32      -0.09     6.24     16
  12       O    -0.50    -7.64    16.47       5.32       0.09    -7.55     16
  13       N    -0.60    -3.96     2.97    -173.87      -0.52    -4.47     16
  14       C     0.08     0.22     5.38      -3.71      -0.02     0.20     16
  15       C    -0.12    -0.16     6.08     -26.61      -0.16    -0.33     16
  16       C    -0.17    -0.44     4.84     -26.69      -0.13    -0.56     16
  17       C     0.31     1.94     5.69     -26.61      -0.15     1.79     16
  18       O    -0.61   -10.01    17.78     -57.73      -1.03   -11.03     16
  19       O    -0.71   -11.01    17.65     -57.73      -1.02   -12.03     16
  20       C     0.07     0.47     6.42      -3.71      -0.02     0.44     16
  21       C    -0.11    -1.63     9.68     -39.02      -0.38    -2.01     16
  22       H     0.06     1.31     7.66     -51.93      -0.40     0.91     16
  23       H     0.06     1.34     7.66     -51.93      -0.40     0.95     16
  24       H     0.14     1.81     6.28     -52.48      -0.33     1.48     16
  25       H     0.13     0.88     8.06     -52.49      -0.42     0.46     16
  26       H     0.13     0.71     7.07     -52.48      -0.37     0.34     16
  27       H     0.12     0.44     4.55     -51.93      -0.24     0.21     16
  28       H     0.09     0.08     8.14     -51.93      -0.42    -0.35     16
  29       H     0.09     0.18     8.14     -51.93      -0.42    -0.25     16
  30       H     0.12    -0.08     8.14     -51.93      -0.42    -0.50     16
  31       H     0.11     0.27     8.14     -51.93      -0.42    -0.16     16
  32       H     0.11     0.17     6.83     -51.92      -0.35    -0.19     16
  33       H     0.15     0.78     8.14     -51.93      -0.42     0.36     16
  34       H     0.35     5.10     9.20      45.56       0.42     5.52     16
  35       H     0.30     3.19     7.00      45.56       0.32     3.51     16
  36       H     0.11     0.58     8.14     -51.93      -0.42     0.15     16
  37       H     0.13     1.19     7.03     -51.93      -0.36     0.82     16
  38       H     0.14     2.22     8.06     -52.49      -0.42     1.80     16
 Total:         -1.00   -47.08   325.03                 -6.18   -53.25