REAL300019791618.mol2 38                                                        
   1       O    -0.55   -13.00    16.47      -3.76      -0.06   -13.06     16
   2       C     0.57     9.43     7.24      86.86       0.63    10.06     16
   3       C    -0.11    -1.15     5.01     -20.04      -0.10    -1.25     16
   4       C    -0.01    -0.09     9.72      22.50       0.22     0.13     16
   5       C    -0.10    -1.20     9.74      22.45       0.22    -0.98     16
   6       C     0.34     5.73     9.79      22.80       0.22     5.96     16
   7       O    -0.74   -25.15    17.23    -127.47      -2.20   -27.34     16
   8       O    -0.73   -24.02    17.23    -127.47      -2.20   -26.22     16
   9       C    -0.10    -0.93     9.74      22.45       0.22    -0.71     16
  10       C    -0.02    -0.13     7.35      22.50       0.17     0.03     16
  11       N    -0.59   -10.15     2.97    -821.20      -2.44   -12.58     16
  12       C     0.13     2.61     6.21      86.51       0.54     3.15     16
  13       C    -0.14    -3.98     5.08      30.82       0.16    -3.82     16
  14       C     0.25     8.33     0.94     -11.52      -0.01     8.32     16
  15       O    -0.55   -16.26    11.69    -148.98      -1.74   -18.01     16
  16       C     0.04     1.78     6.86     138.58       0.95     2.73     16
  17       N    -0.39   -21.67    11.78     -51.29      -0.60   -22.28     16
  18       N    -0.22   -13.50    13.47      37.02       0.50   -13.00     16
  19       N    -0.22   -13.36    13.47      37.02       0.50   -12.86     16
  20       N    -0.40   -21.58    12.43     -51.29      -0.64   -22.21     16
  21       C    -0.10    -2.86     4.63      30.67       0.14    -2.72     16
  22       C     0.11     1.66     5.13      86.36       0.44     2.11     16
  23       H     0.20     1.21     8.06      -2.91      -0.02     1.19     16
  24       H     0.19     2.25     7.75      -2.91      -0.02     2.23     16
  25       H     0.33     9.94     8.90     -74.06      -0.66     9.28     16
  26       H     0.34     9.71     8.90     -74.06      -0.66     9.05     16
  27       H     0.20     1.69     7.75      -2.91      -0.02     1.67     16
  28       H     0.21    -0.08     7.07      -2.91      -0.02    -0.10     16
  29       H     0.10     1.69     7.81      -2.39      -0.02     1.67     16
  30       H     0.10     1.97     7.02      -2.39      -0.02     1.95     16
  31       H     0.06     1.79     8.14      -2.39      -0.02     1.77     16
  32       H     0.08     2.37     8.14      -2.39      -0.02     2.35     16
  33       H     0.39    10.56     9.04     -74.06      -0.67     9.89     16
  34       H     0.07     2.10     8.14      -2.38      -0.02     2.08     16
  35       H     0.08     2.33     8.14      -2.38      -0.02     2.31     16
  36       H     0.12     1.07     4.56      -2.39      -0.01     1.06     16
  37       H     0.11     1.38     7.81      -2.39      -0.02     1.36     16
 Total:         -1.00   -89.52   321.41                 -7.30   -96.82