REAL300009850679.mol2 40                                                        
   1       C    -0.15    -5.60     8.69      71.98       0.63    -4.98     16
   2       C    -0.06    -2.36     2.14     -10.79      -0.02    -2.38     16
   3       C    -0.14    -4.46     8.87      71.98       0.64    -3.82     16
   4       C    -0.17    -7.14     2.26     -12.29      -0.03    -7.17     16
   5       C     0.49    27.61     7.19      71.24       0.51    28.12     16
   6       O    -0.72   -43.99    16.19      19.05       0.31   -43.68     16
   7       O    -0.71   -44.05    14.99      19.05       0.29   -43.77     16
   8       C     0.55    21.40     6.19      87.66       0.54    21.94     16
   9       O    -0.54   -21.80    11.05      -3.03      -0.03   -21.84     16
  10       N    -0.66   -21.07     4.77    -303.59      -1.45   -22.52     16
  11       C     0.17     4.40     6.28      38.23       0.24     4.64     16
  12       C    -0.13    -2.01     9.69      22.67       0.22    -1.79     16
  13       C    -0.03    -0.41     5.74     -21.25      -0.12    -0.53     16
  14       C    -0.01    -0.10     9.73      22.31       0.22     0.12     16
  15       C    -0.11    -1.52     9.65      22.23       0.21    -1.31     16
  16       C     0.32     6.94     9.78      22.86       0.22     7.16     16
  17       O    -0.75   -28.61    17.19    -127.47      -2.19   -30.80     16
  18       O    -0.73   -26.35    17.20    -127.47      -2.19   -28.54     16
  19       C    -0.07    -1.33     9.49      22.79       0.22    -1.12     16
  20       C    -0.04    -0.65     5.74     -21.28      -0.12    -0.77     16
  21       C    -0.07    -1.36     9.74      22.34       0.22    -1.15     16
  22       C    -0.12    -3.10     8.58      22.16       0.19    -2.91     16
  23       H     0.06     2.02     8.14      -2.39      -0.02     2.00     16
  24       H     0.06     2.09     8.14      -2.39      -0.02     2.07     16
  25       H     0.05     2.55     5.50      -2.39      -0.01     2.54     16
  26       H     0.04     1.75     8.10      -2.39      -0.02     1.74     16
  27       H     0.06     1.80     8.14      -2.38      -0.02     1.78     16
  28       H     0.06     1.69     8.14      -2.39      -0.02     1.67     16
  29       H     0.07     2.24     5.51      -2.39      -0.01     2.23     16
  30       H     0.12     4.36     8.14      -2.39      -0.02     4.34     16
  31       H     0.42    12.94     8.32     -92.71      -0.77    12.17     16
  32       H     0.18     1.58     8.06      -2.91      -0.02     1.56     16
  33       H     0.22    -0.40     8.06      -2.91      -0.02    -0.42     16
  34       H     0.19     2.23     7.73      -2.91      -0.02     2.21     16
  35       H     0.33    11.01     8.90     -74.06      -0.66    10.35     16
  36       H     0.33    10.53     8.90     -74.06      -0.66     9.87     16
  37       H     0.18     3.39     7.73      -2.91      -0.02     3.36     16
  38       H     0.16     2.49     8.06      -2.91      -0.02     2.47     16
  39       H     0.13     4.22     6.18      -2.91      -0.02     4.20     16
 Total:         -1.00   -89.06   332.92                 -3.88   -92.94