REAL300005947738.mol2 36                                                        
   1       C     0.07     1.09     9.32     127.77       1.19     2.28     16
   2       N    -0.60   -10.44     2.86    -855.01      -2.44   -12.88     16
   3       C     0.15     1.12     5.47      85.63       0.47     1.59     16
   4       C    -0.05    -0.36     5.46     -19.86      -0.11    -0.47     16
   5       C    -0.06     0.19     9.70      22.27       0.22     0.40     16
   6       C    -0.03     0.10    10.05      22.27       0.22     0.33     16
   7       C    -0.11    -0.82     8.62      22.27       0.19    -0.63     16
   8       C     0.32     5.92     4.82      22.27       0.11     6.03     16
   9       F    -0.22    -9.69    16.66      44.97       0.75    -8.94     16
  10       F    -0.15    -4.66    15.31      44.97       0.69    -3.98     16
  11       F    -0.17    -6.52    15.30      44.97       0.69    -5.83     16
  12       F    -0.16    -5.51    15.31      44.97       0.69    -4.82     16
  13       F    -0.16    -5.75    15.32      44.97       0.69    -5.06     16
  14       C    -0.11    -1.87     8.13      22.27       0.18    -1.69     16
  15       C     0.61    17.55     7.65      86.67       0.66    18.22     16
  16       O    -0.54   -17.47    15.69      -4.00      -0.06   -17.53     16
  17       C    -0.10    -3.53     6.71      24.30       0.16    -3.37     16
  18       C    -0.13    -4.81    10.59      22.31       0.24    -4.58     16
  19       C    -0.18    -8.05    10.67      22.59       0.24    -7.81     16
  20       C    -0.06    -3.01     7.19      24.42       0.18    -2.84     16
  21       C     0.55    35.00     8.04      70.09       0.56    35.56     16
  22       O    -0.69   -47.12    17.77      17.51       0.31   -46.81     16
  23       O    -0.70   -47.24    18.01      20.38       0.37   -46.88     16
  24       O    -0.13    -5.64     7.52      -2.06      -0.02    -5.66     16
  25       H     0.06     1.16     8.14      -2.39      -0.02     1.14     16
  26       H     0.05     1.28     5.96      -2.38      -0.01     1.27     16
  27       H     0.14     0.39     8.03      -2.39      -0.02     0.37     16
  28       H     0.10     1.05     7.44      -2.39      -0.02     1.03     16
  29       H     0.17    -0.61     8.02      -2.38      -0.02    -0.63     16
  30       H     0.22    -2.87     8.06      -2.91      -0.02    -2.89     16
  31       H     0.23    -3.05     8.06      -2.91      -0.02    -3.07     16
  32       H     0.19     1.18     7.40      -2.91      -0.02     1.16     16
  33       H     0.15     3.64     6.72      -2.91      -0.02     3.62     16
  34       H     0.18     5.71     8.06      -2.91      -0.02     5.68     16
  35       H     0.16     6.79     8.06      -2.91      -0.02     6.77     16
 Total:         -1.00  -106.88   336.12                  5.95  -100.93