REAL300018654521.mol2 43                                                        
   1       O    -0.74   -54.21    17.03      19.05       0.32   -53.89     16
   2       C     0.49    30.63     7.24      71.24       0.52    31.14     16
   3       O    -0.72   -50.07    16.16      19.07       0.31   -49.77     16
   4       C    -0.13    -5.29     1.05     -53.15      -0.06    -5.34     16
   5       C    -0.03    -0.93     4.31     -19.89      -0.09    -1.02     16
   6       C     0.00     0.01     9.02      22.29       0.20     0.21     16
   7       C    -0.08    -0.89    10.04      22.25       0.22    -0.67     16
   8       C    -0.09    -1.24     9.31      22.40       0.21    -1.03     16
   9       C     0.23     5.14     6.65      38.21       0.25     5.40     16
  10       N    -0.50   -11.03     5.72    -343.14      -1.96   -13.00     16
  11       C     0.11     1.72     4.68      85.63       0.40     2.12     16
  12       C    -0.15    -2.72     5.25     -19.65      -0.10    -2.83     16
  13       C    -0.03    -0.10     9.66      22.24       0.21     0.12     16
  14       C    -0.11    -0.21    10.04      22.33       0.22     0.01     16
  15       C    -0.05    -0.50    10.04      22.24       0.22    -0.27     16
  16       C    -0.16    -4.51     9.90      22.48       0.22    -4.29     16
  17       C     0.24     8.90     8.92      22.82       0.20     9.10     16
  18       O    -1.01   -85.30    17.89    -127.47      -2.28   -87.58     16
  19       O    -0.97   -72.04    16.82    -127.47      -2.14   -74.18     16
  20       C    -0.11    -3.51     9.02      22.40       0.20    -3.31     16
  21       C    -0.10    -3.05     6.04      31.12       0.19    -2.86     16
  22       C    -0.13    -4.02     7.63      31.12       0.24    -3.78     16
  23       C    -0.11    -3.52     6.85      31.12       0.21    -3.31     16
  24       H     0.18     2.55     7.04      -2.91      -0.02     2.53     16
  25       H     0.21     0.13     8.06      -2.91      -0.02     0.11     16
  26       H     0.20     0.85     6.73      -2.92      -0.02     0.83     16
  27       H     0.42    10.66     8.48     -92.70      -0.79     9.87     16
  28       H     0.21    -0.52     7.74      -2.38      -0.02    -0.54     16
  29       H     0.12     3.03     4.90      -2.38      -0.01     3.01     16
  30       H     0.22    -2.10     7.98      -2.91      -0.02    -2.13     16
  31       H     0.21    -1.68     8.06      -2.91      -0.02    -1.70     16
  32       H     0.19     0.53     8.06      -2.91      -0.02     0.51     16
  33       H     0.13     4.31     8.06      -2.91      -0.02     4.29     16
  34       H     0.22    16.55     8.85     -74.05      -0.66    15.90     16
  35       H     0.23    13.86     6.83     -74.06      -0.51    13.35     16
  36       H     0.12     4.33     8.02      -2.91      -0.02     4.31     16
  37       H     0.13     2.33     7.46      -2.39      -0.02     2.31     16
  38       H     0.05     1.71     8.10      -2.39      -0.02     1.69     16
  39       H     0.05     2.13     7.03      -2.39      -0.02     2.12     16
  40       H     0.11     2.30     8.14      -2.38      -0.02     2.28     16
  41       H     0.03     1.31     8.09      -2.39      -0.02     1.29     16
  42       H     0.13     2.74     8.09      -2.39      -0.02     2.72     16
 Total:         -1.00  -191.73   355.01                 -4.54  -196.26