REAL300013458644.mol2 35                                                        
   1       O    -0.72   -46.73    15.60      19.06       0.30   -46.43     16
   2       C     0.49    29.68     6.71      71.24       0.48    30.15     16
   3       O    -0.73   -50.82    16.19      19.04       0.31   -50.51     16
   4       C    -0.17    -7.36     0.71     -51.91      -0.04    -7.40     16
   5       C     0.18     6.57     4.29      86.38       0.37     6.94     16
   6       N    -0.72   -26.17     4.88    -478.55      -2.34   -28.51     16
   7       C     0.71    23.27     8.33     179.06       1.49    24.76     16
   8       O    -0.59   -19.73    13.50      -3.99      -0.05   -19.78     16
   9       N    -0.66   -19.18     5.36    -312.13      -1.67   -20.86     16
  10       C     0.21     5.20     6.64      40.07       0.27     5.47     16
  11       C    -0.14    -2.44     8.58      22.02       0.19    -2.25     16
  12       C     0.02     0.14     9.83      21.91       0.22     0.36     16
  13       C    -0.12    -1.09    10.27      23.94       0.25    -0.84     16
  14       C     0.20     4.29     7.36      44.12       0.32     4.62     16
  15       C     0.15     4.23     7.33      44.51       0.33     4.55     16
  16       N    -0.46   -16.35    18.95     -42.73      -0.81   -17.15     16
  17       N    -0.31    -8.30    19.05     -43.27      -0.82    -9.13     16
  18       C    -0.14    -5.20     6.32      31.61       0.20    -5.00     16
  19       C     0.05     1.53     7.63      72.49       0.55     2.09     16
  20       O    -0.40   -15.80    11.65    -148.98      -1.74   -17.54     16
  21       C     0.08     2.87     6.13      72.49       0.44     3.32     16
  22       H     0.11     3.02     8.14      -2.39      -0.02     3.00     16
  23       H     0.05     1.87     8.14      -2.39      -0.02     1.85     16
  24       H     0.41    16.16     6.48     -92.71      -0.60    15.56     16
  25       H     0.42    12.11     8.77     -92.71      -0.81    11.29     16
  26       H     0.17     3.22     5.61      -2.91      -0.02     3.20     16
  27       H     0.21    -0.49     8.06      -2.91      -0.02    -0.51     16
  28       H     0.21     0.28     8.06      -2.91      -0.02     0.26     16
  29       H     0.10     3.06     7.73      -2.38      -0.02     3.04     16
  30       H     0.06     2.82     6.51      -2.39      -0.02     2.81     16
  31       H     0.10     2.77     8.14      -2.39      -0.02     2.75     16
  32       H     0.10     2.17     8.14      -2.39      -0.02     2.15     16
  33       H     0.07     2.91     7.69      -2.39      -0.02     2.90     16
  34       H     0.10     2.83     7.87      -2.38      -0.02     2.81     16
 Total:         -1.00   -88.65   294.66                 -3.39   -92.04