REAL300018043472.mol2 39                                                        
   1       O    -0.71   -50.14    17.27      17.56       0.30   -49.84     16
   2       C     0.50    31.99     7.97      70.15       0.56    32.55     16
   3       O    -0.69   -45.86    14.45      17.56       0.25   -45.61     16
   4       C    -0.10    -4.79     6.04     -18.72      -0.11    -4.90     16
   5       C    -0.14    -5.76     8.82      22.72       0.20    -5.56     16
   6       C     0.22     6.67     6.62      38.07       0.25     6.92     16
   7       N    -0.52   -13.62     4.94    -343.59      -1.70   -15.32     16
   8       C     0.13     3.82     4.04      85.63       0.35     4.16     16
   9       C    -0.12    -2.94     5.28     -19.65      -0.10    -3.04     16
  10       C    -0.04    -0.33     9.66      22.24       0.21    -0.12     16
  11       C    -0.09    -0.24    10.04      22.33       0.22    -0.02     16
  12       C    -0.04    -0.37    10.03      22.24       0.22    -0.15     16
  13       C    -0.14    -3.80     9.75      22.49       0.22    -3.58     16
  14       C     0.31    11.36     9.76      22.82       0.22    11.59     16
  15       O    -0.93   -60.83    13.35    -127.47      -1.70   -62.54     16
  16       O    -1.05   -79.46    17.25    -127.47      -2.20   -81.65     16
  17       C    -0.04    -0.97     9.55      22.69       0.22    -0.75     16
  18       C    -0.06    -1.64     5.74     -21.33      -0.12    -1.77     16
  19       C    -0.06    -0.84     9.77      22.36       0.22    -0.62     16
  20       C    -0.12    -1.74     9.95      22.03       0.22    -1.52     16
  21       C    -0.06    -1.41     9.96      22.07       0.22    -1.19     16
  22       C    -0.13    -4.82     9.27      22.25       0.21    -4.61     16
  23       C    -0.04    -1.67     5.90     -19.94      -0.12    -1.79     16
  24       H     0.13     5.78     6.19      -2.91      -0.02     5.76     16
  25       H     0.43     8.46     8.45     -92.71      -0.78     7.68     16
  26       H     0.10     4.35     5.53      -2.39      -0.01     4.33     16
  27       H     0.15     2.98     7.76      -2.39      -0.02     2.97     16
  28       H     0.21    -0.27     8.03      -2.91      -0.02    -0.30     16
  29       H     0.22    -1.71     8.06      -2.91      -0.02    -1.73     16
  30       H     0.21     0.06     8.06      -2.91      -0.02     0.04     16
  31       H     0.14     4.73     7.77      -2.91      -0.02     4.71     16
  32       H     0.25    17.99     8.90     -74.05      -0.66    17.33     16
  33       H     0.24    18.96     8.90     -74.06      -0.66    18.30     16
  34       H     0.21     2.04     8.06      -2.91      -0.02     2.02     16
  35       H     0.19     0.91     8.06      -2.91      -0.02     0.89     16
  36       H     0.18     0.98     8.06      -2.91      -0.02     0.95     16
  37       H     0.16     2.64     8.06      -2.91      -0.02     2.62     16
  38       H     0.14     6.48     5.02      -2.91      -0.01     6.46     16
 Total:         -1.00  -153.01   330.33                 -4.31  -157.32