REAL300013458643.mol2 38                                                        
   1       O    -0.71   -45.78    15.90      19.05       0.30   -45.48     16
   2       C     0.49    28.86     6.30      71.24       0.45    29.31     16
   3       O    -0.73   -49.06    17.59      19.04       0.33   -48.73     16
   4       C    -0.16    -7.29     0.45     -52.84      -0.02    -7.31     16
   5       C     0.19     7.73     3.71      86.38       0.32     8.06     16
   6       N    -0.71   -28.01     4.33    -478.55      -2.07   -30.08     16
   7       C     0.71    25.74     8.33     179.06       1.49    27.24     16
   8       O    -0.59   -22.22    13.50      -3.99      -0.05   -22.27     16
   9       N    -0.66   -20.65     5.36    -312.13      -1.67   -22.32     16
  10       C     0.22     5.85     6.64      40.07       0.27     6.12     16
  11       C    -0.15    -3.23     8.58      22.02       0.19    -3.04     16
  12       C     0.02     0.23     9.83      21.91       0.22     0.44     16
  13       C    -0.12    -1.29    10.27      23.94       0.25    -1.04     16
  14       C     0.20     4.45     7.36      44.12       0.32     4.78     16
  15       C     0.15     4.28     7.33      44.51       0.33     4.61     16
  16       N    -0.46   -15.85    18.95     -42.73      -0.81   -16.66     16
  17       N    -0.30    -7.90    19.05     -43.27      -0.82    -8.73     16
  18       C    -0.10    -3.62     4.74      30.71       0.15    -3.48     16
  19       C    -0.15    -3.97     5.77      30.68       0.18    -3.80     16
  20       C     0.05     1.38     6.84      72.01       0.49     1.88     16
  21       O    -0.39   -13.30    10.18    -148.98      -1.52   -14.82     16
  22       C     0.10     3.85     5.33      72.01       0.38     4.24     16
  23       H     0.04     1.97     8.10      -2.39      -0.02     1.95     16
  24       H     0.08     3.01     6.14      -2.39      -0.01     3.00     16
  25       H     0.40    16.14     6.67     -92.71      -0.62    15.52     16
  26       H     0.42    12.47     8.77     -92.71      -0.81    11.65     16
  27       H     0.16     4.00     5.61      -2.91      -0.02     3.99     16
  28       H     0.20     0.20     8.06      -2.91      -0.02     0.18     16
  29       H     0.21     0.53     8.06      -2.91      -0.02     0.50     16
  30       H     0.06     2.35     8.03      -2.39      -0.02     2.33     16
  31       H     0.06     2.23     8.14      -2.39      -0.02     2.21     16
  32       H     0.10     2.16     8.14      -2.39      -0.02     2.14     16
  33       H     0.08     2.05     6.63      -2.39      -0.02     2.03     16
  34       H     0.05     1.38     8.14      -2.39      -0.02     1.36     16
  35       H     0.12     2.46     8.14      -2.39      -0.02     2.44     16
  36       H     0.08     3.21     6.82      -2.39      -0.02     3.20     16
  37       H     0.05     1.94     8.04      -2.38      -0.02     1.92     16
 Total:         -1.00   -83.68   309.85                 -2.99   -86.67