REAL300013458609.mol2 34                                                        
   1       O    -0.72   -47.36    16.07      19.04       0.31   -47.05     16
   2       C     0.49    29.76     6.59      71.24       0.47    30.23     16
   3       O    -0.73   -49.27    16.15      19.05       0.31   -48.96     16
   4       C    -0.17    -7.55     1.04     -52.40      -0.05    -7.61     16
   5       C     0.18     7.12     4.77      86.38       0.41     7.53     16
   6       N    -0.71   -27.69     4.74    -478.54      -2.27   -29.96     16
   7       C     0.71    25.03     8.33     179.06       1.49    26.52     16
   8       O    -0.59   -21.33    13.50      -3.98      -0.05   -21.39     16
   9       N    -0.66   -20.50     5.36    -312.14      -1.67   -22.18     16
  10       C     0.22     5.75     6.64      40.07       0.27     6.01     16
  11       C    -0.15    -3.12     8.58      22.02       0.19    -2.93     16
  12       C     0.02     0.22     9.83      21.91       0.22     0.43     16
  13       C    -0.12    -1.25    10.27      23.94       0.25    -1.00     16
  14       C     0.20     4.41     7.36      44.12       0.32     4.73     16
  15       C     0.15     4.25     7.33      44.51       0.33     4.58     16
  16       N    -0.46   -15.94    18.95     -42.74      -0.81   -16.75     16
  17       N    -0.30    -7.87    19.05     -43.27      -0.82    -8.69     16
  18       C    -0.11    -4.05     7.07      31.18       0.22    -3.83     16
  19       C    -0.13    -4.55     7.64      31.18       0.24    -4.31     16
  20       C    -0.10    -3.89     7.22      31.12       0.22    -3.66     16
  21       H     0.05     2.01     8.14      -2.38      -0.02     1.99     16
  22       H     0.09     2.87     7.98      -2.39      -0.02     2.85     16
  23       H     0.40    16.68     7.43     -92.70      -0.69    15.99     16
  24       H     0.41    12.60     8.77     -92.71      -0.81    11.78     16
  25       H     0.16     3.88     5.60      -2.91      -0.02     3.87     16
  26       H     0.20     0.07     8.06      -2.91      -0.02     0.05     16
  27       H     0.21     0.46     8.06      -2.91      -0.02     0.44     16
  28       H     0.11     3.18     7.99      -2.39      -0.02     3.16     16
  29       H     0.04     1.69     8.09      -2.38      -0.02     1.67     16
  30       H     0.06     2.51     7.03      -2.38      -0.02     2.50     16
  31       H     0.10     2.65     8.14      -2.39      -0.02     2.63     16
  32       H     0.04     1.73     8.09      -2.38      -0.02     1.71     16
  33       H     0.12     3.30     8.10      -2.39      -0.02     3.28     16
 Total:         -1.00   -84.20   287.99                 -2.16   -86.37