REAL300013458632.mol2 35                                                        
   1       O    -0.73   -52.53    17.26      25.15       0.43   -52.10     16
   2       C     0.46    29.36     6.78      71.24       0.48    29.84     16
   3       O    -0.72   -49.39    17.61      19.05       0.34   -49.05     16
   4       C     0.06     2.98     0.92     -11.46      -0.01     2.96     16
   5       O    -0.55   -26.57    11.80    -130.02      -1.53   -28.10     16
   6       C    -0.09    -3.56     4.82      30.62       0.15    -3.41     16
   7       C    -0.12    -3.34     5.94      30.68       0.18    -3.16     16
   8       C     0.11     2.42     6.39      86.36       0.55     2.97     16
   9       N    -0.60   -18.64     2.91    -836.90      -2.44   -21.08     16
  10       C     0.71    21.19     7.98     179.05       1.43    22.62     16
  11       O    -0.59   -20.81    13.49      -3.96      -0.05   -20.87     16
  12       N    -0.66   -15.17     5.25    -312.14      -1.64   -16.81     16
  13       C     0.20     4.26     6.47      40.06       0.26     4.51     16
  14       C    -0.11    -1.76     8.50      22.02       0.19    -1.57     16
  15       C     0.00     0.02     9.83      21.91       0.22     0.24     16
  16       C    -0.10    -0.81    10.27      23.94       0.25    -0.56     16
  17       C     0.19     3.70     7.36      44.12       0.32     4.02     16
  18       C     0.16     3.71     7.34      44.51       0.33     4.04     16
  19       N    -0.44   -13.18    19.00     -42.73      -0.81   -13.99     16
  20       N    -0.32    -7.85    19.05     -43.27      -0.82    -8.67     16
  21       C     0.13     5.46     5.32      86.36       0.46     5.92     16
  22       H     0.37    17.52     8.86     -74.06      -0.66    16.87     16
  23       H     0.08     3.25     8.11      -2.39      -0.02     3.23     16
  24       H     0.05     2.02     8.14      -2.39      -0.02     2.00     16
  25       H     0.11     2.30     8.14      -2.39      -0.02     2.28     16
  26       H     0.06     1.83     7.61      -2.39      -0.02     1.82     16
  27       H     0.10     1.71     5.65      -2.39      -0.01     1.70     16
  28       H     0.10     1.91     8.14      -2.39      -0.02     1.89     16
  29       H     0.42     8.16     6.31     -92.71      -0.59     7.58     16
  30       H     0.15     2.75     6.31      -2.91      -0.02     2.73     16
  31       H     0.20    -0.48     8.06      -2.91      -0.02    -0.50     16
  32       H     0.21     0.08     8.06      -2.91      -0.02     0.06     16
  33       H     0.08     3.43     7.98      -2.38      -0.02     3.42     16
  34       H     0.08     3.34     6.99      -2.39      -0.02     3.32     16
 Total:         -1.00   -92.69   292.66                 -3.18   -95.87