REAL300019734537.mol2 36                                                        
   1       C    -0.15    -2.88     9.91      71.98       0.71    -2.17     16
   2       C    -0.11    -2.62     5.82      30.59       0.18    -2.44     16
   3       C    -0.11    -3.41     4.74      30.59       0.14    -3.27     16
   4       C     0.27    10.53     2.51      44.24       0.11    10.64     16
   5       N    -0.69   -22.58     4.47    -449.11      -2.01   -24.59     16
   6       C     0.56    18.56     7.73      86.75       0.67    19.23     16
   7       O    -0.55   -23.15    14.99      -3.93      -0.06   -23.21     16
   8       C    -0.13    -3.02     5.87     -20.08      -0.12    -3.13     16
   9       C    -0.04    -0.88     9.24      22.74       0.21    -0.67     16
  10       C     0.31     5.73     9.79      22.82       0.22     5.95     16
  11       O    -0.72   -24.63    17.23    -127.47      -2.20   -26.83     16
  12       O    -0.71   -21.38    17.23    -127.47      -2.20   -23.58     16
  13       C    -0.03    -0.22     9.74      22.52       0.22     0.00     16
  14       C    -0.07    -0.44    10.00      22.25       0.22    -0.22     16
  15       C     0.17     2.97     7.29      22.77       0.17     3.14     16
  16       F    -0.10    -2.37    15.54      44.97       0.70    -1.67     16
  17       C     0.05     2.90     7.16     138.58       0.99     3.89     16
  18       N    -0.39   -22.65    12.43     -51.30      -0.64   -23.29     16
  19       N    -0.22   -14.07    13.47      37.02       0.50   -13.57     16
  20       N    -0.22   -14.37    13.47      37.02       0.50   -13.87     16
  21       N    -0.40   -24.74    12.43     -51.30      -0.64   -25.37     16
  22       H     0.05     1.04     8.14      -2.39      -0.02     1.03     16
  23       H     0.06     1.08     8.14      -2.38      -0.02     1.06     16
  24       H     0.07     1.14     8.14      -2.39      -0.02     1.12     16
  25       H     0.07     1.50     7.75      -2.39      -0.02     1.48     16
  26       H     0.07     1.52     8.14      -2.38      -0.02     1.50     16
  27       H     0.07     2.32     8.14      -2.39      -0.02     2.30     16
  28       H     0.07     2.27     8.14      -2.39      -0.02     2.25     16
  29       H     0.09     3.82     7.58      -2.39      -0.02     3.80     16
  30       H     0.41    11.13     6.63     -92.71      -0.61    10.51     16
  31       H     0.18     3.77     6.10      -2.91      -0.02     3.75     16
  32       H     0.34     9.92     8.90     -74.06      -0.66     9.26     16
  33       H     0.34     8.93     8.90     -74.06      -0.66     8.27     16
  34       H     0.22     0.99     7.76      -2.91      -0.02     0.97     16
  35       H     0.24    -0.91     8.06      -2.91      -0.02    -0.93     16
 Total:         -1.00   -94.21   321.59                 -4.45   -98.66