REAL300013458591.mol2 34                                                        
   1       C    -0.11    -4.42     8.47      71.98       0.61    -3.81     16
   2       C    -0.14    -6.52     0.91     -51.71      -0.05    -6.57     16
   3       C     0.49    31.01     6.74      71.24       0.48    31.49     16
   4       O    -0.73   -51.43    17.47      19.07       0.33   -51.10     16
   5       O    -0.73   -50.57    17.01      19.03       0.32   -50.25     16
   6       C    -0.10    -3.86     5.77      31.49       0.18    -3.68     16
   7       C     0.10     2.82     6.62      86.53       0.57     3.39     16
   8       N    -0.62   -19.94     3.19    -827.34      -2.64   -22.57     16
   9       C     0.73    21.51     8.35     179.05       1.50    23.01     16
  10       O    -0.59   -19.91    13.94      -3.97      -0.06   -19.96     16
  11       N    -0.66   -15.08     5.30    -312.14      -1.65   -16.73     16
  12       C     0.20     4.07     6.51      40.06       0.26     4.33     16
  13       C    -0.11    -1.67     8.55      22.02       0.19    -1.48     16
  14       C     0.00     0.01     9.83      21.91       0.22     0.22     16
  15       C    -0.10    -0.75    10.27      23.94       0.25    -0.50     16
  16       C     0.19     3.61     7.36      44.12       0.32     3.93     16
  17       C     0.16     3.69     7.34      44.51       0.33     4.01     16
  18       N    -0.44   -12.96    19.00     -42.74      -0.81   -13.78     16
  19       N    -0.33    -7.87    19.04     -43.27      -0.82    -8.69     16
  20       C     0.17     6.89     5.58      86.73       0.48     7.37     16
  21       H     0.05     2.20     8.14      -2.39      -0.02     2.18     16
  22       H     0.04     1.81     8.14      -2.39      -0.02     1.80     16
  23       H     0.07     2.51     8.07      -2.39      -0.02     2.49     16
  24       H     0.08     2.88     7.86      -2.39      -0.02     2.86     16
  25       H     0.06     2.68     7.45      -2.39      -0.02     2.66     16
  26       H     0.09     2.12     8.14      -2.39      -0.02     2.10     16
  27       H     0.10     2.06     7.38      -2.39      -0.02     2.04     16
  28       H     0.42     8.38     7.45     -92.71      -0.69     7.69     16
  29       H     0.16     2.83     6.03      -2.91      -0.02     2.82     16
  30       H     0.20    -0.58     8.06      -2.91      -0.02    -0.61     16
  31       H     0.21    -0.01     8.06      -2.91      -0.02    -0.03     16
  32       H     0.06     2.68     8.04      -2.38      -0.02     2.66     16
  33       H     0.07     3.18     7.76      -2.39      -0.02     3.16     16
 Total:         -1.00   -88.64   287.84                 -0.91   -89.55