REAL300009850685.mol2 42                                                        
   1       O    -0.72   -45.11    16.70      19.07       0.32   -44.79     16
   2       C     0.49    28.73     6.74      71.24       0.48    29.21     16
   3       O    -0.72   -46.73    17.53      19.03       0.33   -46.39     16
   4       C    -0.14    -6.27     0.57     -53.53      -0.03    -6.30     16
   5       C     0.57    22.46     3.85      87.66       0.34    22.80     16
   6       O    -0.55   -22.97    12.99      -3.03      -0.04   -23.01     16
   7       N    -0.66   -21.11     4.67    -303.59      -1.42   -22.53     16
   8       C     0.18     4.50     6.26      38.24       0.24     4.74     16
   9       C    -0.14    -2.62     9.69      22.68       0.22    -2.40     16
  10       C    -0.03    -0.43     5.74     -21.26      -0.12    -0.55     16
  11       C    -0.02    -0.21     9.73      22.31       0.22     0.01     16
  12       C    -0.11    -1.70     9.65      22.23       0.21    -1.49     16
  13       C     0.32     7.04     9.78      22.86       0.22     7.27     16
  14       O    -0.74   -26.90    17.20    -127.47      -2.19   -29.10     16
  15       O    -0.75   -28.03    17.19    -127.47      -2.19   -30.22     16
  16       C    -0.07    -1.20     9.49      22.79       0.22    -0.98     16
  17       C    -0.04    -0.66     5.74     -21.28      -0.12    -0.78     16
  18       C    -0.06    -1.09     9.74      22.34       0.22    -0.87     16
  19       C    -0.11    -2.59     8.55      22.16       0.19    -2.40     16
  20       C    -0.06    -2.44     4.53      29.66       0.13    -2.30     16
  21       C    -0.15    -4.70     9.10      27.04       0.25    -4.46     16
  22       C    -0.16    -4.21     9.62      27.04       0.26    -3.95     16
  23       C    -0.09    -2.23     5.59      29.66       0.17    -2.06     16
  24       C    -0.09    -3.12     4.60      30.73       0.14    -2.98     16
  25       H     0.42    12.71     8.20     -92.70      -0.76    11.95     16
  26       H     0.17     2.56     8.06      -2.91      -0.02     2.53     16
  27       H     0.22     0.54     8.06      -2.91      -0.02     0.52     16
  28       H     0.18     2.57     7.73      -2.91      -0.02     2.55     16
  29       H     0.33    10.66     8.90     -74.06      -0.66    10.00     16
  30       H     0.33    10.87     8.90     -74.06      -0.66    10.21     16
  31       H     0.18     3.21     7.73      -2.91      -0.02     3.19     16
  32       H     0.17     2.00     8.06      -2.91      -0.02     1.98     16
  33       H     0.14     3.64     6.37      -2.91      -0.02     3.62     16
  34       H     0.05     2.33     7.66      -2.39      -0.02     2.31     16
  35       H     0.07     3.02     7.84      -2.38      -0.02     3.00     16
  36       H     0.12     3.25     8.06      -2.91      -0.02     3.23     16
  37       H     0.13     2.64     8.06      -2.91      -0.02     2.62     16
  38       H     0.11     2.04     8.14      -2.39      -0.02     2.02     16
  39       H     0.07     1.78     7.30      -2.38      -0.02     1.77     16
  40       H     0.07     2.55     8.12      -2.39      -0.02     2.53     16
  41       H     0.07     2.26     7.63      -2.39      -0.02     2.24     16
 Total:         -1.00   -92.93   350.07                 -4.33   -97.27