REAL300018278680.mol2 43                                                        
   1       C    -0.16     0.67     9.56      71.98       0.69     1.36     16
   2       C     0.06    -0.36     2.84      30.60       0.09    -0.27     16
   3       C    -0.19     0.97     9.17      71.98       0.66     1.63     16
   4       O    -0.26     1.08     9.03     -90.96      -0.82     0.26     16
   5       C     0.20    -0.37     6.63      22.74       0.15    -0.22     16
   6       C    -0.20    -0.06     8.21      22.30       0.18     0.12     16
   7       C     0.04     0.44     9.58      22.55       0.22     0.65     16
   8       C    -0.12    -2.52     5.87     -20.12      -0.12    -2.64     16
   9       C     0.50    20.58     8.00      70.19       0.56    21.14     16
  10       O    -0.72   -35.84    17.23      17.66       0.30   -35.53     16
  11       O    -0.71   -34.33    17.24      17.63       0.30   -34.02     16
  12       C    -0.09    -0.78     8.85      22.67       0.20    -0.58     16
  13       C     0.24    -0.26     6.66      38.17       0.25     0.00     16
  14       N    -0.51     3.39     5.72    -342.82      -1.96     1.42     16
  15       C     0.12    -0.79     5.03      85.63       0.43    -0.36     16
  16       C    -0.11    -0.31     5.26     -19.80      -0.10    -0.41     16
  17       C    -0.02    -0.17     9.68      22.24       0.22     0.04     16
  18       C    -0.13    -3.99     9.75      22.48       0.22    -3.77     16
  19       C     0.31    14.27     9.80      22.83       0.22    14.50     16
  20       O    -1.09   -94.60    17.25    -127.47      -2.20   -96.80     16
  21       O    -1.09   -94.67    17.25    -127.47      -2.20   -96.87     16
  22       C    -0.13    -3.97     9.75      22.48       0.22    -3.75     16
  23       C    -0.02    -0.17     9.68      22.24       0.22     0.05     16
  24       H     0.07    -0.14     8.14      -2.39      -0.02    -0.16     16
  25       H     0.10    -0.63     8.14      -2.39      -0.02    -0.65     16
  26       H     0.07    -0.24     8.14      -2.39      -0.02    -0.26     16
  27       H     0.11    -1.02     6.30      -2.39      -0.02    -1.04     16
  28       H     0.10    -0.68     8.14      -2.39      -0.02    -0.69     16
  29       H     0.07    -0.20     8.14      -2.38      -0.02    -0.22     16
  30       H     0.07    -0.36     6.90      -2.39      -0.02    -0.38     16
  31       H     0.20    -1.26     5.39      -2.91      -0.02    -1.28     16
  32       H     0.15     2.14     7.63      -2.91      -0.02     2.12     16
  33       H     0.18     1.42     6.30      -2.91      -0.02     1.40     16
  34       H     0.44    -3.80     7.82     -92.70      -0.72    -4.53     16
  35       H     0.16    -1.62     7.90      -2.39      -0.02    -1.63     16
  36       H     0.16    -1.58     7.88      -2.39      -0.02    -1.60     16
  37       H     0.22    -0.27     8.06      -2.91      -0.02    -0.30     16
  38       H     0.14     5.31     7.77      -2.91      -0.02     5.29     16
  39       H     0.23    20.91     8.90     -74.06      -0.66    20.25     16
  40       H     0.23    20.92     8.90     -74.05      -0.66    20.26     16
  41       H     0.14     5.30     7.77      -2.91      -0.02     5.28     16
  42       H     0.22    -0.34     8.06      -2.91      -0.02    -0.36     16
 Total:         -1.00  -187.92   364.36                 -4.63  -192.54