REAL300009850776.mol2 39                                                        
   1       O    -0.73   -53.21    17.00      16.76       0.28   -52.93     16
   2       C     0.49    33.69     7.79      68.47       0.53    34.22     16
   3       O    -0.74   -56.90    17.99      16.76       0.30   -56.60     16
   4       C    -0.21   -11.12     9.49      22.38       0.21   -10.91     16
   5       C    -0.03    -1.41     9.37      22.54       0.21    -1.19     16
   6       C     0.00    -0.11     6.77      22.70       0.15     0.04     16
   7       C    -0.14    -3.43     8.37      22.72       0.19    -3.24     16
   8       C    -0.25    -5.70     5.60     -20.08      -0.11    -5.82     16
   9       C     0.60    11.97     7.64      86.69       0.66    12.63     16
  10       O    -0.57   -14.09    16.44      -4.02      -0.07   -14.16     16
  11       N    -0.60    -7.47     2.97    -821.84      -2.44    -9.90     16
  12       C     0.09     1.08     5.28      86.51       0.46     1.54     16
  13       C    -0.13    -1.22     5.38      30.82       0.17    -1.06     16
  14       C    -0.14    -0.22     1.95     -10.77      -0.02    -0.24     16
  15       C     0.40     0.12     8.82      71.98       0.64     0.75     16
  16       O    -0.80   -25.13    17.78    -127.47      -2.27   -27.40     16
  17       O    -0.74   -20.49    16.37    -127.47      -2.09   -22.58     16
  18       C    -0.10     0.38     5.36      30.67       0.16     0.54     16
  19       C     0.11     0.53     6.44      86.36       0.56     1.08     16
  20       C     0.06     1.37    12.04      67.74       0.82     2.19     16
  21       O    -0.17    -5.26    10.10      -1.79      -0.02    -5.28     16
  22       H     0.12     5.80     7.70      -2.91      -0.02     5.78     16
  23       H     0.15     6.57     7.45      -2.91      -0.02     6.55     16
  24       H     0.19     3.68     6.42      -2.91      -0.02     3.66     16
  25       H     0.08     0.96     8.14      -2.39      -0.02     0.94     16
  26       H     0.10     1.55     4.08      -2.39      -0.01     1.54     16
  27       H     0.08     0.64     8.14      -2.39      -0.02     0.62     16
  28       H     0.07     1.20     7.71      -2.39      -0.02     1.18     16
  29       H     0.12     0.55     7.73      -2.39      -0.02     0.54     16
  30       H     0.17    -0.98     8.14      -2.39      -0.02    -1.00     16
  31       H     0.20    -2.11     8.14      -2.39      -0.02    -2.13     16
  32       H     0.32     9.75     8.90     -74.06      -0.66     9.09     16
  33       H     0.33     9.01     8.90     -74.06      -0.66     8.35     16
  34       H     0.10    -0.49     8.14      -2.39      -0.02    -0.51     16
  35       H     0.14    -1.64     8.14      -2.38      -0.02    -1.66     16
  36       H     0.10     0.75     7.00      -2.39      -0.02     0.73     16
  37       H     0.09     0.26     8.14      -2.39      -0.02     0.24     16
  38       H     0.25     3.64     8.06      -2.91      -0.02     3.62     16
 Total:         -1.00  -117.50   329.90                 -3.27  -120.77