REAL300009850709.mol2 39                                                        
   1       O    -0.73   -52.83    17.00      16.76       0.28   -52.54     16
   2       C     0.48    32.71     7.79      68.47       0.53    33.24     16
   3       O    -0.74   -55.34    17.99      16.77       0.30   -55.03     16
   4       C    -0.20   -10.41     9.49      22.39       0.21   -10.19     16
   5       C    -0.04    -1.52     9.37      22.54       0.21    -1.31     16
   6       C     0.00    -0.11     6.77      22.69       0.15     0.04     16
   7       C    -0.12    -3.15    10.64      22.72       0.24    -2.91     16
   8       C    -0.26    -4.33     6.16     -20.08      -0.12    -4.45     16
   9       C     0.60     8.80     7.53      86.68       0.65     9.46     16
  10       O    -0.55   -12.57    14.60      -4.01      -0.06   -12.63     16
  11       N    -0.65    -2.85     5.30    -306.47      -1.62    -4.47     16
  12       C     0.17     0.91     6.25      38.26       0.24     1.15     16
  13       C    -0.11     0.12     9.69      22.68       0.22     0.34     16
  14       C    -0.03    -0.05     5.74     -21.25      -0.12    -0.17     16
  15       C    -0.01     0.02     9.73      22.30       0.22     0.24     16
  16       C    -0.12    -0.74     9.65      22.23       0.21    -0.53     16
  17       C     0.32     4.88     9.78      22.86       0.22     5.10     16
  18       O    -0.74   -23.50    17.20    -127.47      -2.19   -25.69     16
  19       O    -0.76   -25.60    17.19    -127.47      -2.19   -27.79     16
  20       C    -0.08    -0.87     9.49      22.79       0.22    -0.65     16
  21       C    -0.04    -0.24     5.74     -21.28      -0.12    -0.36     16
  22       C    -0.07    -0.56     9.74      22.34       0.22    -0.34     16
  23       C    -0.11    -1.07     8.54      22.16       0.19    -0.88     16
  24       C     0.07     0.80    11.65      67.75       0.79     1.59     16
  25       O    -0.16    -3.94    10.10      -1.75      -0.02    -3.96     16
  26       H     0.12     5.68     7.70      -2.91      -0.02     5.66     16
  27       H     0.15     6.27     7.45      -2.91      -0.02     6.25     16
  28       H     0.16     4.07     8.06      -2.91      -0.02     4.04     16
  29       H     0.44    -2.12     7.77     -92.71      -0.72    -2.84     16
  30       H     0.19    -1.89     8.06      -2.91      -0.02    -1.91     16
  31       H     0.23    -2.73     8.06      -2.91      -0.02    -2.75     16
  32       H     0.18     1.11     7.73      -2.91      -0.02     1.08     16
  33       H     0.33     9.35     8.90     -74.06      -0.66     8.69     16
  34       H     0.33     9.81     8.90     -74.06      -0.66     9.15     16
  35       H     0.18     2.18     7.73      -2.91      -0.02     2.16     16
  36       H     0.16     0.78     8.06      -2.91      -0.02     0.76     16
  37       H     0.13     1.84     6.39      -2.91      -0.02     1.83     16
  38       H     0.28    -1.12     7.47      -2.91      -0.02    -1.14     16
 Total:         -1.00  -118.17   355.44                 -3.60  -121.77