REAL300019875933.mol2 40                                                        
   1       O    -0.51    -7.83    15.95       5.30       0.08    -7.75     16
   2       C     0.56     6.69     7.05     -12.39      -0.09     6.61     16
   3       C    -0.12    -1.02     4.91    -104.96      -0.52    -1.54     16
   4       C    -0.05    -0.42     7.17     -38.85      -0.28    -0.70     16
   5       C     0.29     2.29     9.79     -38.73      -0.38     1.91     16
   6       O    -0.66    -8.67    17.23     -57.73      -0.99    -9.67     16
   7       O    -0.64    -8.85    17.23     -57.73      -0.99    -9.85     16
   8       C    -0.06    -0.27     9.74     -39.19      -0.38    -0.65     16
   9       C    -0.12    -0.39    10.00     -39.62      -0.40    -0.78     16
  10       C     0.17     1.13     7.26     -38.81      -0.28     0.85     16
  11       F    -0.10    -0.87    16.42       2.25       0.04    -0.83     16
  12       N    -0.59    -6.91     2.97    -173.93      -0.52    -7.42     16
  13       C     0.11     1.53     6.44      -3.71      -0.02     1.51     16
  14       C    -0.12    -2.01     5.19     -26.61      -0.14    -2.15     16
  15       C    -0.08    -1.23     2.14     -90.58      -0.19    -1.42     16
  16       C     0.00     0.08     5.32     -27.88      -0.15    -0.07     16
  17       C     0.06     1.49     6.81    -156.72      -1.07     0.42     16
  18       N    -0.39   -11.56    12.43      32.44       0.40   -11.16     16
  19       N    -0.20    -6.32    13.47      60.35       0.81    -5.51     16
  20       N    -0.20    -6.29    13.47      60.35       0.81    -5.48     16
  21       N    -0.39   -11.27    11.71      32.44       0.38   -10.89     16
  22       C    -0.13    -1.45     5.36     -26.61      -0.14    -1.59     16
  23       C     0.10     0.93     5.16      -3.71      -0.02     0.91     16
  24       H     0.19     1.46     6.86     -52.49      -0.36     1.10     16
  25       H     0.34     3.55     8.90      45.56       0.41     3.96     16
  26       H     0.34     3.72     8.90      45.56       0.41     4.13     16
  27       H     0.18     0.61     7.76     -52.49      -0.41     0.21     16
  28       H     0.18    -0.01     8.06     -52.48      -0.42    -0.43     16
  29       H     0.07     0.98     8.14     -51.93      -0.42     0.55     16
  30       H     0.10     1.37     7.00     -51.93      -0.36     1.01     16
  31       H     0.09     1.87     6.77     -51.93      -0.35     1.52     16
  32       H     0.07     1.09     8.14     -51.93      -0.42     0.66     16
  33       H     0.07     1.27     8.14     -51.93      -0.42     0.84     16
  34       H     0.07     1.21     8.14     -51.93      -0.42     0.79     16
  35       H     0.07     1.22     8.14     -51.93      -0.42     0.80     16
  36       H     0.07     0.76     8.14     -51.93      -0.42     0.34     16
  37       H     0.08     0.82     8.14     -51.93      -0.42     0.39     16
  38       H     0.08     0.61     5.02     -51.93      -0.26     0.35     16
  39       H     0.08     0.75     8.14     -51.93      -0.42     0.32     16
 Total:         -1.00   -39.94   337.63                 -3.68   -43.62