REAL300013458597.mol2 38                                                        
   1       O    -0.72   -46.89    15.15      19.05       0.29   -46.60     16
   2       C     0.48    29.29     6.76      71.23       0.48    29.77     16
   3       O    -0.74   -51.38    17.02      19.05       0.32   -51.05     16
   4       C    -0.13    -5.79     0.50     -52.81      -0.03    -5.81     16
   5       C     0.18     6.78     3.88      86.38       0.33     7.12     16
   6       N    -0.70   -26.52     4.30    -478.52      -2.06   -28.58     16
   7       C     0.70    23.97     8.38     179.06       1.50    25.47     16
   8       O    -0.59   -20.76    13.73      -3.97      -0.05   -20.82     16
   9       N    -0.66   -19.36     5.34    -312.15      -1.67   -21.03     16
  10       C     0.20     4.92     6.51      40.06       0.26     5.19     16
  11       C    -0.11    -1.84     8.55      22.02       0.19    -1.65     16
  12       C     0.00     0.02     9.83      21.91       0.22     0.23     16
  13       C    -0.10    -1.00    10.27      23.94       0.25    -0.75     16
  14       C     0.19     4.32     7.36      44.12       0.32     4.64     16
  15       C     0.16     4.53     7.34      44.50       0.33     4.85     16
  16       N    -0.45   -16.31    19.00     -42.74      -0.81   -17.12     16
  17       N    -0.34    -9.47    19.04     -43.28      -0.82   -10.30     16
  18       C    -0.12    -4.89     4.57      30.68       0.14    -4.75     16
  19       C     0.07     1.91     6.57      72.01       0.47     2.38     16
  20       O    -0.39   -11.86    10.76    -148.98      -1.60   -13.46     16
  21       C     0.07     1.91     6.57      72.01       0.47     2.38     16
  22       C    -0.13    -4.69     4.77      30.68       0.15    -4.54     16
  23       H     0.04     1.56     8.14      -2.38      -0.02     1.54     16
  24       H     0.09     2.94     5.01      -2.39      -0.01     2.93     16
  25       H     0.40    16.21     5.92     -92.71      -0.55    15.66     16
  26       H     0.42    11.74     8.84     -92.71      -0.82    10.92     16
  27       H     0.17     3.05     6.03      -2.91      -0.02     3.03     16
  28       H     0.21    -0.50     8.06      -2.91      -0.02    -0.52     16
  29       H     0.21     0.39     8.06      -2.91      -0.02     0.37     16
  30       H     0.05     2.46     7.75      -2.39      -0.02     2.44     16
  31       H     0.06     2.47     8.14      -2.39      -0.02     2.45     16
  32       H     0.07     1.74     6.61      -2.38      -0.02     1.72     16
  33       H     0.12     2.74     8.14      -2.39      -0.02     2.72     16
  34       H     0.07     1.65     6.60      -2.38      -0.02     1.64     16
  35       H     0.12     2.59     8.14      -2.39      -0.02     2.57     16
  36       H     0.07     2.53     6.83      -2.38      -0.02     2.51     16
  37       H     0.05     2.06     8.14      -2.39      -0.02     2.04     16
 Total:         -1.00   -89.48   306.63                 -2.93   -92.41