REAL300019817273.mol2 38                                                        
   1       O    -0.55   -25.62    12.84      10.64       0.14   -25.48     16
   2       C     0.50    15.85     7.55      87.66       0.66    16.51     16
   3       C    -0.14    -2.58     5.40      29.85       0.16    -2.41     16
   4       C     0.11     2.74     3.12      29.79       0.09     2.83     16
   5       O    -0.46   -19.51    13.93    -121.95      -1.70   -21.21     16
   6       O    -0.78   -37.28    18.54    -128.58      -2.38   -39.66     16
   7       C     0.26     4.83    10.28      22.77       0.23     5.07     16
   8       C    -0.12    -0.75    10.09      22.43       0.23    -0.52     16
   9       C    -0.04     0.25    10.04      22.27       0.22     0.47     16
  10       C    -0.07     0.55    10.04      22.34       0.22     0.78     16
  11       C    -0.06     0.12    10.04      22.24       0.22     0.34     16
  12       C    -0.08    -0.93     5.57     -19.69      -0.11    -1.04     16
  13       N    -0.66   -17.83     5.23    -303.41      -1.59   -19.41     16
  14       C     0.11     4.04     6.31      38.13       0.24     4.28     16
  15       C    -0.09    -4.16     8.35      22.59       0.19    -3.97     16
  16       C     0.01     0.40     5.87     -20.05      -0.12     0.29     16
  17       C     0.09     5.56     7.93     137.43       1.09     6.65     16
  18       N    -0.39   -26.19    12.15     -52.23      -0.63   -26.83     16
  19       N    -0.21   -14.59    13.45      37.02       0.50   -14.10     16
  20       N    -0.21   -14.03    13.45      37.02       0.50   -13.53     16
  21       N    -0.38   -24.46    12.15     -52.23      -0.63   -25.09     16
  22       C    -0.09    -3.42     9.69      22.49       0.22    -3.21     16
  23       C    -0.11    -3.39    10.00      22.26       0.22    -3.17     16
  24       C     0.08     2.33     7.31      22.52       0.16     2.49     16
  25       F    -0.13    -3.15    16.94      44.97       0.76    -2.39     16
  26       H     0.16     0.84     8.14      -2.38      -0.02     0.82     16
  27       H     0.12     1.88     8.14      -2.39      -0.02     1.86     16
  28       H     0.10     2.78     7.95      -2.39      -0.02     2.76     16
  29       H     0.32    15.28     9.30     -74.06      -0.69    14.59     16
  30       H     0.18     1.07     8.06      -2.91      -0.02     1.05     16
  31       H     0.22    -3.09     8.06      -2.91      -0.02    -3.11     16
  32       H     0.21    -3.67     8.06      -2.91      -0.02    -3.69     16
  33       H     0.21    -1.89     8.06      -2.91      -0.02    -1.91     16
  34       H     0.43     7.20     8.66     -92.71      -0.80     6.40     16
  35       H     0.12     6.54     6.02      -2.91      -0.02     6.52     16
  36       H     0.14     5.55     7.88      -2.91      -0.02     5.53     16
  37       H     0.18     3.86     8.06      -2.91      -0.02     3.84     16
 Total:         -1.00  -124.86   342.66                 -2.81  -127.67