REAL300018708827.mol2 40                                                        
   1       C     0.02     0.46     9.81     113.37       1.11     1.57     16
   2       O    -0.31    -8.66     9.64     -92.63      -0.89    -9.55     16
   3       C     0.13     4.79     6.65      22.46       0.15     4.94     16
   4       C    -0.18    -8.46     8.58      22.66       0.19    -8.26     16
   5       C    -0.14    -8.08     5.87     -20.12      -0.12    -8.20     16
   6       C     0.50    36.22     8.01      70.28       0.56    36.78     16
   7       O    -0.72   -55.08    17.24      17.82       0.31   -54.77     16
   8       O    -0.72   -56.24    17.24      17.82       0.31   -55.94     16
   9       C    -0.13    -6.60     9.59      22.56       0.22    -6.38     16
  10       C    -0.07    -2.78     9.64      22.21       0.21    -2.57     16
  11       C    -0.10    -3.67     5.41     -19.71      -0.11    -3.78     16
  12       C     0.13     3.51     5.47      85.56       0.47     3.98     16
  13       N    -0.67   -16.36     5.73    -522.01      -2.99   -19.36     16
  14       C     0.10     1.80     4.85      85.56       0.42     2.21     16
  15       C    -0.08    -1.16     5.42     -19.65      -0.11    -1.27     16
  16       C    -0.06    -0.10     9.66      22.24       0.21     0.11     16
  17       C    -0.08     0.24    10.04      22.33       0.22     0.46     16
  18       C    -0.05    -0.05    10.03      22.24       0.22     0.17     16
  19       C    -0.13    -1.72     9.75      22.48       0.22    -1.50     16
  20       C     0.32     7.11     9.76      22.82       0.22     7.33     16
  21       O    -0.85   -38.33    17.25    -127.47      -2.20   -40.53     16
  22       O    -0.62   -22.68    13.36    -127.47      -1.70   -24.38     16
  23       H     0.05     1.17     7.66      -2.39      -0.02     1.15     16
  24       H     0.05     1.22     7.66      -2.39      -0.02     1.20     16
  25       H     0.14     1.85     8.14      -2.39      -0.02     1.83     16
  26       H     0.12     6.04     5.88      -2.91      -0.02     6.02     16
  27       H     0.11     5.85     7.64      -2.91      -0.02     5.83     16
  28       H     0.15     5.15     8.03      -2.91      -0.02     5.12     16
  29       H     0.06     1.37     7.84      -2.39      -0.02     1.35     16
  30       H     0.08     2.14     7.99      -2.39      -0.02     2.12     16
  31       H     0.34     7.78     8.64     -89.69      -0.77     7.01     16
  32       H     0.09     0.88     8.00      -2.39      -0.02     0.86     16
  33       H     0.09     2.23     5.75      -2.39      -0.01     2.22     16
  34       H     0.21    -1.09     8.04      -2.91      -0.02    -1.11     16
  35       H     0.21    -2.47     8.06      -2.91      -0.02    -2.50     16
  36       H     0.21    -1.44     8.06      -2.91      -0.02    -1.46     16
  37       H     0.16     2.76     7.77      -2.91      -0.02     2.74     16
  38       H     0.31    13.24     8.90     -74.05      -0.66    12.58     16
  39       H     0.33    11.57     8.90     -74.06      -0.66    10.91     16
 Total:         -1.00  -117.62   341.99                 -5.44  -123.06