REAL300018043473.mol2 39                                                        
   1       O    -0.72   -50.89    17.27      17.56       0.30   -50.59     16
   2       C     0.50    33.34     7.97      70.15       0.56    33.90     16
   3       O    -0.71   -50.44    14.45      17.56       0.25   -50.18     16
   4       C    -0.13    -6.89     6.04     -18.72      -0.11    -7.00     16
   5       C    -0.13    -5.31     8.82      22.72       0.20    -5.11     16
   6       C     0.22     5.99     6.62      38.07       0.25     6.24     16
   7       N    -0.73   -11.25     5.72    -343.59      -1.96   -13.21     16
   8       C     0.16     1.93     5.00      85.63       0.43     2.36     16
   9       C    -0.07    -0.46     5.26     -19.80      -0.10    -0.56     16
  10       C    -0.03    -0.15     9.68      22.24       0.22     0.07     16
  11       C    -0.10    -1.07     9.75      22.48       0.22    -0.85     16
  12       C     0.33     5.51     9.80      22.82       0.22     5.74     16
  13       O    -0.74   -25.62    17.25    -127.47      -2.20   -27.82     16
  14       O    -0.74   -25.62    17.25    -127.47      -2.20   -27.82     16
  15       C    -0.10    -1.06     9.75      22.49       0.22    -0.84     16
  16       C    -0.03    -0.15     9.68      22.24       0.22     0.07     16
  17       C    -0.19    -5.03     9.55      22.69       0.22    -4.81     16
  18       C    -0.03    -0.95     5.74     -21.33      -0.12    -1.07     16
  19       C    -0.13    -3.37     9.77      22.36       0.22    -3.15     16
  20       C    -0.11    -2.94     9.95      22.03       0.22    -2.73     16
  21       C    -0.15    -5.35     9.96      22.07       0.22    -5.13     16
  22       C    -0.13    -5.96     9.27      22.25       0.21    -5.76     16
  23       C    -0.10    -4.44     5.90     -19.94      -0.12    -4.56     16
  24       H     0.13     4.97     6.19      -2.91      -0.02     4.95     16
  25       H     0.42     3.88     8.45     -92.71      -0.78     3.10     16
  26       H     0.08     1.12     7.84      -2.39      -0.02     1.10     16
  27       H     0.08     1.13     7.85      -2.39      -0.02     1.11     16
  28       H     0.20     0.11     8.06      -2.91      -0.02     0.09     16
  29       H     0.18     1.99     7.77      -2.91      -0.02     1.97     16
  30       H     0.33    10.08     8.90     -74.06      -0.66     9.42     16
  31       H     0.33    10.09     8.90     -74.06      -0.66     9.43     16
  32       H     0.18     1.99     7.77      -2.91      -0.02     1.97     16
  33       H     0.20     0.10     8.06      -2.91      -0.02     0.07     16
  34       H     0.16     2.77     8.06      -2.91      -0.02     2.75     16
  35       H     0.16     2.82     8.06      -2.91      -0.02     2.80     16
  36       H     0.16     2.87     8.06      -2.91      -0.02     2.84     16
  37       H     0.13     3.96     8.06      -2.91      -0.02     3.93     16
  38       H     0.12     6.95     5.02      -2.91      -0.01     6.93     16
 Total:         -1.00  -105.34   337.49                 -5.01  -110.34