REAL300013458604.mol2 34                                                        
   1       O    -0.74   -52.81    16.64      19.07       0.32   -52.49     16
   2       C     0.47    30.93     7.37      71.24       0.52    31.45     16
   3       O    -0.74   -53.85    17.98      19.05       0.34   -53.50     16
   4       C    -0.15    -7.11     3.37     -10.22      -0.03    -7.14     16
   5       H     0.09     3.78     8.14      -2.39      -0.02     3.76     16
   6       C    -0.10    -3.93     5.89      31.67       0.19    -3.74     16
   7       C    -0.12    -3.62     6.59      31.32       0.21    -3.42     16
   8       C     0.17     4.94     3.23      45.71       0.15     5.08     16
   9       H     0.11     2.85     7.59      -2.38      -0.02     2.83     16
  10       N    -0.72   -16.73     4.99    -454.36      -2.27   -19.00     16
  11       C     0.71    15.87     8.37     179.06       1.50    17.37     16
  12       O    -0.58   -14.99    13.40      -3.99      -0.05   -15.04     16
  13       N    -0.66   -12.19     5.34    -312.14      -1.67   -13.85     16
  14       C     0.20     3.44     6.51      40.07       0.26     3.70     16
  15       C    -0.11    -1.24     8.55      22.02       0.19    -1.06     16
  16       C     0.00     0.00     9.83      21.91       0.22     0.22     16
  17       C    -0.10    -0.61    10.27      23.94       0.25    -0.36     16
  18       C     0.19     3.36     7.36      44.12       0.32     3.69     16
  19       C     0.16     3.41     7.34      44.51       0.33     3.74     16
  20       N    -0.45   -12.65    19.00     -42.73      -0.81   -13.46     16
  21       N    -0.33    -7.84    19.04     -43.27      -0.82    -8.66     16
  22       C    -0.10    -3.52     5.96      31.69       0.19    -3.33     16
  23       H     0.06     2.37     8.14      -2.39      -0.02     2.35     16
  24       H     0.05     2.12     7.46      -2.39      -0.02     2.10     16
  25       H     0.09     2.34     8.14      -2.39      -0.02     2.32     16
  26       H     0.07     2.02     7.92      -2.38      -0.02     2.00     16
  27       H     0.41     8.34     8.36     -92.70      -0.78     7.56     16
  28       H     0.42     6.71     8.84     -92.71      -0.82     5.89     16
  29       H     0.17     2.14     6.03      -2.91      -0.02     2.12     16
  30       H     0.20    -1.10     8.06      -2.91      -0.02    -1.13     16
  31       H     0.20    -0.24     8.06      -2.91      -0.02    -0.26     16
  32       H     0.06     2.22     7.63      -2.39      -0.02     2.20     16
  33       H     0.08     2.82     8.14      -2.38      -0.02     2.80     16
 Total:         -1.00   -92.76   289.56                 -2.49   -95.25