REAL300018538968.mol2 44                                                        
   1       O    -0.69    -7.66    16.90     -20.22      -0.34    -8.00     16
   2       C     0.48     4.02     6.49      36.01       0.23     4.26     16
   3       O    -0.66    -9.40    17.05     -20.23      -0.34    -9.75     16
   4       C    -0.18     0.10     2.48     -91.71      -0.23    -0.13     16
   5       H     0.11     0.05     8.14     -51.93      -0.42    -0.37     16
   6       C    -0.07     0.12     3.97     -26.56      -0.11     0.01     16
   7       C    -0.15     0.75     1.98    -154.49      -0.31     0.44     16
   8       C    -0.17     0.56     9.92     -26.80      -0.27     0.29     16
   9       C    -0.17     0.64    10.00     -26.76      -0.27     0.38     16
  10       C    -0.09     0.87     5.24     -26.56      -0.14     0.73     16
  11       C    -0.14     1.42     5.17     -26.66      -0.14     1.28     16
  12       C     0.05    -0.42     1.96     -67.77      -0.13    -0.55     16
  13       H     0.15    -1.05     7.67     -51.93      -0.40    -1.45     16
  14       N    -0.50     5.75     1.36    -108.06      -0.15     5.60     16
  15       H     0.44    -3.91     7.32     -39.29      -0.29    -4.20     16
  16       H     0.42    -5.40     4.98     -39.29      -0.20    -5.59     16
  17       C     0.04    -0.61     5.23      -4.98      -0.03    -0.64     16
  18       C    -0.15     1.85     5.36    -104.52      -0.56     1.29     16
  19       C    -0.05     0.47     9.68     -39.63      -0.38     0.08     16
  20       C    -0.10     0.64     9.75     -39.25      -0.38     0.26     16
  21       C     0.33    -1.12     9.80     -38.72      -0.38    -1.50     16
  22       O    -0.65    -3.11    17.25     -57.73      -1.00    -4.11     16
  23       O    -0.64    -3.26    17.25     -57.73      -1.00    -4.26     16
  24       C    -0.11     0.76     9.75     -39.25      -0.38     0.38     16
  25       C    -0.05     0.63     9.68     -39.63      -0.38     0.25     16
  26       H     0.09     0.20     7.95     -51.93      -0.41    -0.21     16
  27       H     0.06    -0.17     6.96     -51.93      -0.36    -0.53     16
  28       H     0.10    -0.41     8.14     -51.93      -0.42    -0.83     16
  29       H     0.10    -0.18     8.14     -51.93      -0.42    -0.60     16
  30       H     0.10    -0.26     8.14     -51.93      -0.42    -0.68     16
  31       H     0.10    -0.46     8.14     -51.93      -0.42    -0.88     16
  32       H     0.06    -0.71     6.66     -51.92      -0.35    -1.05     16
  33       H     0.09    -0.78     8.09     -51.93      -0.42    -1.20     16
  34       H     0.08    -1.11     6.56     -51.93      -0.34    -1.45     16
  35       H     0.11    -0.93     8.14     -51.93      -0.42    -1.35     16
  36       H     0.14    -2.48     6.31     -51.93      -0.33    -2.80     16
  37       H     0.15    -2.29     8.04     -51.93      -0.42    -2.71     16
  38       H     0.18    -2.08     8.06     -52.49      -0.42    -2.50     16
  39       H     0.18    -0.92     7.77     -52.49      -0.41    -1.33     16
  40       H     0.34     0.87     8.90      45.56       0.41     1.28     16
  41       H     0.34     0.93     8.90      45.56       0.41     1.33     16
  42       H     0.18    -1.16     7.77     -52.49      -0.41    -1.56     16
  43       H     0.17    -2.55     8.06     -52.48      -0.42    -2.98     16
 Total:          0.00   -31.78   345.13                 -8.37   -40.15