REAL300009850687.mol2 44                                                        
   1       O    -0.72   -45.13    16.39      19.06       0.31   -44.82     16
   2       C     0.49    28.61     6.64      71.24       0.47    29.08     16
   3       O    -0.72   -47.11    17.67      19.02       0.34   -46.77     16
   4       C    -0.14    -6.11     0.55     -53.68      -0.03    -6.14     16
   5       C     0.56    22.12     4.18      87.66       0.37    22.48     16
   6       O    -0.54   -22.24    11.32      -3.04      -0.03   -22.28     16
   7       N    -0.65   -21.31     4.55    -303.58      -1.38   -22.69     16
   8       C     0.18     4.66     6.25      38.24       0.24     4.90     16
   9       C    -0.13    -2.06     9.69      22.67       0.22    -1.84     16
  10       C    -0.03    -0.39     5.74     -21.25      -0.12    -0.51     16
  11       C    -0.01    -0.10     9.73      22.31       0.22     0.12     16
  12       C    -0.11    -1.51     9.65      22.23       0.21    -1.30     16
  13       C     0.32     7.02     9.78      22.86       0.22     7.25     16
  14       O    -0.73   -26.36    17.20    -127.47      -2.19   -28.55     16
  15       O    -0.75   -28.87    17.19    -127.47      -2.19   -31.06     16
  16       C    -0.07    -1.38     9.49      22.79       0.22    -1.16     16
  17       C    -0.04    -0.69     5.74     -21.29      -0.12    -0.81     16
  18       C    -0.07    -1.43     9.74      22.33       0.22    -1.21     16
  19       C    -0.11    -3.25     8.55      22.16       0.19    -3.06     16
  20       C    -0.09    -3.10     4.55      30.60       0.14    -2.96     16
  21       C    -0.11    -2.84     5.70      30.60       0.17    -2.66     16
  22       C    -0.12    -2.92     5.92      30.59       0.18    -2.74     16
  23       C    -0.12    -3.91     5.63      30.61       0.17    -3.74     16
  24       C    -0.08    -3.25     4.29      30.61       0.13    -3.12     16
  25       H     0.42    12.80     7.99     -92.71      -0.74    12.06     16
  26       H     0.18     1.55     8.06      -2.91      -0.02     1.53     16
  27       H     0.23    -0.46     8.06      -2.91      -0.02    -0.49     16
  28       H     0.19     2.23     7.73      -2.91      -0.02     2.20     16
  29       H     0.33    10.56     8.90     -74.06      -0.66     9.90     16
  30       H     0.33    11.09     8.90     -74.05      -0.66    10.43     16
  31       H     0.18     3.49     7.73      -2.91      -0.02     3.47     16
  32       H     0.16     2.68     8.06      -2.91      -0.02     2.66     16
  33       H     0.12     4.17     6.39      -2.91      -0.02     4.15     16
  34       H     0.07     2.11     7.46      -2.39      -0.02     2.10     16
  35       H     0.07     2.47     8.09      -2.39      -0.02     2.45     16
  36       H     0.09     1.83     8.14      -2.39      -0.02     1.82     16
  37       H     0.06     1.44     7.22      -2.39      -0.02     1.43     16
  38       H     0.06     1.61     8.14      -2.39      -0.02     1.59     16
  39       H     0.08     1.71     8.14      -2.38      -0.02     1.69     16
  40       H     0.07     1.99     8.14      -2.38      -0.02     1.97     16
  41       H     0.08     2.60     5.51      -2.39      -0.01     2.59     16
  42       H     0.06     2.55     8.09      -2.39      -0.02     2.53     16
  43       H     0.03     1.42     8.10      -2.38      -0.02     1.40     16
 Total:         -1.00   -93.71   354.99                 -4.43   -98.14