REAL300019758345.mol2 36                                                        
   1       C    -0.13    -2.44     8.00      37.16       0.30    -2.15     16
   2       C     0.01     0.29     3.06     -91.77      -0.28     0.01     16
   3       C     0.13     2.21     5.00      -4.04      -0.02     2.19     16
   4       N    -0.60    -7.84     2.76    -182.74      -0.50    -8.35     16
   5       C     0.06     0.58     9.10      59.84       0.54     1.13     16
   6       C     0.56     7.47     5.43     -12.39      -0.07     7.41     16
   7       O    -0.49    -8.48    14.79       5.31       0.08    -8.40     16
   8       C    -0.12    -1.11     4.88    -104.96      -0.51    -1.63     16
   9       C    -0.06    -0.46     7.33     -38.86      -0.28    -0.75     16
  10       C     0.30     2.47     9.79     -38.73      -0.38     2.09     16
  11       O    -0.65    -9.13    17.23     -57.73      -0.99   -10.12     16
  12       O    -0.66    -8.99    17.23     -57.73      -0.99    -9.99     16
  13       C    -0.06    -0.31     9.74     -39.19      -0.38    -0.70     16
  14       C    -0.12    -0.48    10.00     -39.62      -0.40    -0.87     16
  15       C     0.17     1.29     7.27     -38.81      -0.28     1.01     16
  16       F    -0.09    -0.97    16.51       2.25       0.04    -0.93     16
  17       C     0.06     1.60     6.87    -156.72      -1.08     0.52     16
  18       N    -0.38   -11.30    12.43      32.44       0.40   -10.89     16
  19       N    -0.20    -6.28    13.47      60.35       0.81    -5.47     16
  20       N    -0.20    -6.30    13.47      60.35       0.81    -5.49     16
  21       N    -0.39   -11.61    12.43      32.44       0.40   -11.20     16
  22       H     0.07     1.44     8.07     -51.93      -0.42     1.02     16
  23       H     0.04     0.70     6.14     -51.93      -0.32     0.38     16
  24       H     0.05     0.93     8.14     -51.93      -0.42     0.51     16
  25       H     0.07     1.41     8.14     -51.93      -0.42     0.99     16
  26       H     0.08     1.39     8.07     -51.93      -0.42     0.97     16
  27       H     0.10     1.94     7.37     -51.93      -0.38     1.55     16
  28       H     0.07     0.53     7.55     -51.93      -0.39     0.14     16
  29       H     0.09     0.80     8.09     -51.92      -0.42     0.38     16
  30       H     0.07     0.52     5.73     -51.93      -0.30     0.22     16
  31       H     0.19     1.54     6.30     -52.48      -0.33     1.21     16
  32       H     0.34     3.79     8.90      45.56       0.41     4.19     16
  33       H     0.34     3.66     8.90      45.56       0.41     4.07     16
  34       H     0.18     0.72     7.76     -52.49      -0.41     0.31     16
  35       H     0.18     0.14     8.06     -52.48      -0.42    -0.28     16
 Total:         -1.00   -40.28   314.02                 -1.90   -42.18