REAL300018128532.mol2 40                                                        
   1       O    -0.74   -56.99    18.00      19.06       0.34   -56.65     16
   2       C     0.49    34.11     7.82      71.23       0.56    34.67     16
   3       O    -0.73   -54.36    17.37      19.03       0.33   -54.03     16
   4       C    -0.22   -11.59     5.90     -11.54      -0.07   -11.66     16
   5       H     0.10     5.01     8.14      -2.39      -0.02     4.99     16
   6       C    -0.13    -5.40     9.38      30.59       0.29    -5.11     16
   7       C    -0.08    -3.28     5.61     -11.54      -0.06    -3.34     16
   8       H     0.08     3.82     8.14      -2.39      -0.02     3.80     16
   9       C    -0.12    -3.87     5.61     -19.84      -0.11    -3.98     16
  10       C    -0.08    -2.39     9.73      22.25       0.22    -2.17     16
  11       C    -0.19    -3.68     9.90      22.40       0.22    -3.45     16
  12       C     0.22     3.08     6.65      38.21       0.25     3.33     16
  13       N    -0.74    -3.36     5.73    -343.12      -1.96    -5.33     16
  14       C     0.16    -0.27     5.03      85.63       0.43     0.16     16
  15       C    -0.08     0.21     5.26     -19.80      -0.10     0.11     16
  16       C    -0.03     0.05     9.68      22.24       0.22     0.27     16
  17       C    -0.11    -0.64     9.75      22.49       0.22    -0.42     16
  18       C     0.32     4.15     9.80      22.82       0.22     4.37     16
  19       O    -0.75   -23.84    17.25    -127.47      -2.20   -26.03     16
  20       O    -0.75   -24.18    17.25    -127.47      -2.20   -26.37     16
  21       C    -0.11    -0.56     9.75      22.49       0.22    -0.34     16
  22       C    -0.03     0.07     9.68      22.24       0.22     0.29     16
  23       C    -0.19    -2.99     9.31      22.40       0.21    -2.78     16
  24       C    -0.08    -1.94     9.29      22.25       0.21    -1.73     16
  25       H     0.13     4.06     6.17      -2.39      -0.01     4.05     16
  26       H     0.08     3.53     7.95      -2.38      -0.02     3.51     16
  27       H     0.11     3.21     8.06      -2.91      -0.02     3.18     16
  28       H     0.14     2.01     8.06      -2.91      -0.02     1.99     16
  29       H     0.41     0.98     8.48     -92.71      -0.79     0.20     16
  30       H     0.10    -0.37     7.90      -2.39      -0.02    -0.39     16
  31       H     0.10    -0.26     7.88      -2.39      -0.02    -0.28     16
  32       H     0.20    -1.34     8.06      -2.91      -0.02    -1.36     16
  33       H     0.17     1.34     7.77      -2.91      -0.02     1.32     16
  34       H     0.33     9.38     8.90     -74.05      -0.66     8.72     16
  35       H     0.33     9.47     8.90     -74.06      -0.66     8.81     16
  36       H     0.18     1.18     7.77      -2.91      -0.02     1.15     16
  37       H     0.21    -1.70     8.06      -2.91      -0.02    -1.72     16
  38       H     0.15     1.30     6.73      -2.91      -0.02     1.28     16
  39       H     0.13     2.90     6.01      -2.91      -0.02     2.88     16
 Total:         -1.00  -113.14   346.73                 -4.95  -118.10