REAL300020054396.mol2 32                                                        
   1       O    -0.53   -13.64    16.48      -3.28      -0.05   -13.70     16
   2       C     0.52    11.90     7.89      87.24       0.69    12.58     16
   3       N    -0.68   -19.52     5.54    -468.26      -2.59   -22.11     16
   4       C     0.25     8.55     6.30      85.63       0.54     9.09     16
   5       C     0.04     2.01     7.73     138.58       1.07     3.08     16
   6       N    -0.39   -20.68    12.43     -51.30      -0.64   -21.32     16
   7       N    -0.21   -12.30    13.47      37.02       0.50   -11.80     16
   8       N    -0.21   -12.41    13.47      37.02       0.50   -11.91     16
   9       N    -0.39   -20.99    12.43     -51.30      -0.64   -21.63     16
  10       C     0.53     8.79     7.73      87.24       0.67     9.47     16
  11       O    -0.49    -9.23    13.92      -3.32      -0.05    -9.28     16
  12       N    -0.63    -6.27     5.32    -304.84      -1.62    -7.89     16
  13       C     0.20     1.54     6.29      38.22       0.24     1.79     16
  14       C    -0.10    -0.37     8.69      22.40       0.19    -0.17     16
  15       C     0.00     0.01    10.04      22.25       0.22     0.23     16
  16       C    -0.11    -0.48     8.62      22.30       0.19    -0.29     16
  17       C     0.35     4.50     4.82      22.25       0.11     4.61     16
  18       F    -0.22    -8.14    16.66      44.97       0.75    -7.39     16
  19       F    -0.15    -4.07    15.30      44.97       0.69    -3.38     16
  20       F    -0.17    -4.62    15.30      44.97       0.69    -3.94     16
  21       F    -0.15    -3.88    15.31      44.97       0.69    -3.19     16
  22       F    -0.17    -4.93    15.32      44.97       0.69    -4.24     16
  23       C    -0.14    -1.41     8.54      22.40       0.19    -1.22     16
  24       H     0.41    12.40     7.93     -92.71      -0.74    11.66     16
  25       H     0.10     3.14     8.14      -2.39      -0.02     3.12     16
  26       H     0.10     3.19     8.14      -2.39      -0.02     3.17     16
  27       H     0.44     3.20     8.30     -92.71      -0.77     2.43     16
  28       H     0.19     0.78     6.24      -2.91      -0.02     0.76     16
  29       H     0.24    -2.44     8.06      -2.91      -0.02    -2.47     16
  30       H     0.20     0.41     7.39      -2.91      -0.02     0.39     16
  31       H     0.19     1.83     7.39      -2.91      -0.02     1.81     16
 Total:         -1.00   -83.14   309.19                  1.40   -81.73