REAL300000674700.mol2 36                                                        
   1       O    -0.21    -1.15    15.25      25.12       0.38    -0.77     16
   2       C     0.51    -5.41     5.37      71.24       0.38    -5.02     16
   3       O    -0.15     1.68    18.00      19.05       0.34     2.03     16
   4       C     0.08    -2.10     3.35     -10.82      -0.04    -2.14     16
   5       C    -0.15     3.72     6.32      31.67       0.20     3.92     16
   6       C    -0.10     1.94     6.91      31.88       0.22     2.16     16
   7       C    -0.15     1.33     6.32      31.67       0.20     1.53     16
   8       C    -0.10     1.71     3.30     -10.81      -0.04     1.67     16
   9       C     0.45     3.65     4.81      87.66       0.42     4.07     16
  10       O    -0.49   -15.19    11.81      15.78       0.19   -15.00     16
  11       N    -0.61    -4.07     5.34    -303.50      -1.62    -5.69     16
  12       C     0.16     4.68     6.30      38.16       0.24     4.92     16
  13       C    -0.10    -1.92     9.97      22.39       0.22    -1.70     16
  14       C    -0.04    -1.38    10.04      22.25       0.22    -1.16     16
  15       C    -0.18   -11.10     8.62      22.29       0.19   -10.91     16
  16       C     0.44    35.30     4.82      22.25       0.11    35.40     16
  17       F    -0.36   -45.61    16.65      44.97       0.75   -44.86     16
  18       F    -0.60   -70.81    15.31      44.97       0.69   -70.12     16
  19       F    -0.58   -66.62    15.29      44.97       0.69   -65.93     16
  20       F    -0.58   -67.04    15.29      44.97       0.69   -66.35     16
  21       F    -0.58   -67.32    15.33      44.97       0.69   -66.63     16
  22       C    -0.17   -10.11     7.27      22.39       0.16    -9.95     16
  23       H     0.33   -15.42     8.14      -2.39      -0.02   -15.44     16
  24       H     0.20    -6.73     8.14      -2.39      -0.02    -6.75     16
  25       H     0.11    -1.64     7.10      -2.39      -0.02    -1.66     16
  26       H     0.15    -4.41     8.14      -2.39      -0.02    -4.43     16
  27       H     0.09    -1.38     8.14      -2.39      -0.02    -1.40     16
  28       H     0.13    -1.32     8.14      -2.39      -0.02    -1.33     16
  29       H     0.05     0.34     6.94      -2.39      -0.02     0.32     16
  30       H     0.28    -9.05     8.10      -2.39      -0.02    -9.07     16
  31       H     0.46    -5.26     8.79     -92.71      -0.82    -6.08     16
  32       H     0.25    -0.59     8.06      -2.91      -0.02    -0.62     16
  33       H     0.22     3.97     8.06      -2.91      -0.02     3.94     16
  34       H     0.11     8.11     7.39      -2.91      -0.02     8.08     16
  35       H     0.12     8.72     5.56      -2.91      -0.02     8.70     16
 Total:         -1.00  -340.49   312.36                  4.25  -336.24