REAL300009850691.mol2 43                                                        
   1       C    -0.15    -6.31     7.67      71.98       0.55    -5.76     16
   2       C    -0.04    -1.48     0.54     -52.18      -0.03    -1.50     16
   3       C    -0.13    -4.92     8.23      71.98       0.59    -4.33     16
   4       C    -0.14    -4.18     8.18      71.98       0.59    -3.59     16
   5       C    -0.16    -7.05     2.01     -12.29      -0.02    -7.07     16
   6       C     0.50    28.27     5.25      71.24       0.37    28.65     16
   7       O    -0.73   -45.81    17.98      19.04       0.34   -45.47     16
   8       O    -0.71   -44.56    14.86      19.06       0.28   -44.28     16
   9       C     0.55    20.68     6.18      87.66       0.54    21.22     16
  10       O    -0.52   -19.67     9.02      -3.05      -0.03   -19.70     16
  11       N    -0.67   -20.97     5.24    -303.58      -1.59   -22.56     16
  12       C     0.17     4.24     6.25      38.23       0.24     4.48     16
  13       C    -0.14    -2.50     9.69      22.67       0.22    -2.28     16
  14       C    -0.03    -0.42     5.74     -21.26      -0.12    -0.54     16
  15       C    -0.02    -0.20     9.73      22.30       0.22     0.01     16
  16       C    -0.11    -1.65     9.65      22.23       0.21    -1.44     16
  17       C     0.32     6.91     9.78      22.86       0.22     7.14     16
  18       O    -0.75   -27.75    17.19    -127.47      -2.19   -29.94     16
  19       O    -0.74   -26.72    17.20    -127.47      -2.19   -28.92     16
  20       C    -0.07    -1.16     9.49      22.79       0.22    -0.94     16
  21       C    -0.04    -0.61     5.74     -21.28      -0.12    -0.73     16
  22       C    -0.06    -1.00     9.74      22.34       0.22    -0.79     16
  23       C    -0.11    -2.41     8.55      22.16       0.19    -2.22     16
  24       H     0.05     2.40     5.50      -2.39      -0.01     2.38     16
  25       H     0.05     1.98     8.14      -2.39      -0.02     1.96     16
  26       H     0.06     2.63     5.51      -2.39      -0.01     2.62     16
  27       H     0.06     2.11     8.14      -2.39      -0.02     2.09     16
  28       H     0.08     2.40     8.14      -2.39      -0.02     2.38     16
  29       H     0.02     0.87     7.22      -2.38      -0.02     0.85     16
  30       H     0.07     2.26     5.51      -2.38      -0.01     2.24     16
  31       H     0.07     1.77     8.14      -2.39      -0.02     1.75     16
  32       H     0.06     1.57     8.14      -2.39      -0.02     1.55     16
  33       H     0.10     4.10     8.12      -2.39      -0.02     4.08     16
  34       H     0.42    12.73     8.62     -92.70      -0.80    11.93     16
  35       H     0.17     2.39     8.06      -2.91      -0.02     2.36     16
  36       H     0.22     0.45     8.06      -2.91      -0.02     0.43     16
  37       H     0.18     2.52     7.73      -2.91      -0.02     2.50     16
  38       H     0.33    10.78     8.90     -74.06      -0.66    10.12     16
  39       H     0.33    10.59     8.90     -74.06      -0.66     9.93     16
  40       H     0.18     3.10     7.73      -2.91      -0.02     3.08     16
  41       H     0.17     1.82     8.06      -2.91      -0.02     1.79     16
  42       H     0.14     3.42     6.39      -2.91      -0.02     3.40     16
 Total:         -1.00   -89.40   348.94                 -3.71   -93.11