REAL300013477288.mol2 38                                                        
   1       O    -0.74   -50.89    17.24      17.80       0.31   -50.58     16
   2       C     0.50    30.03     7.98      70.28       0.56    30.60     16
   3       O    -0.69   -42.90    13.63      17.83       0.24   -42.65     16
   4       C    -0.16    -7.44     5.87     -20.11      -0.12    -7.56     16
   5       C    -0.11    -4.20     9.60      22.55       0.22    -3.99     16
   6       C    -0.12    -3.19    10.03      22.23       0.22    -2.96     16
   7       C    -0.10    -2.25    10.04      22.34       0.22    -2.03     16
   8       C    -0.11    -2.65     9.66      22.23       0.21    -2.44     16
   9       C    -0.08    -3.01     5.29     -19.58      -0.10    -3.11     16
  10       C     0.19     6.81     4.82      85.63       0.41     7.22     16
  11       N    -0.69   -21.02     4.81    -482.28      -2.32   -23.34     16
  12       C     0.70    19.86     8.41     179.06       1.51    21.36     16
  13       O    -0.61   -21.35    13.78      -4.02      -0.06   -21.41     16
  14       N    -0.66   -10.84     5.34    -317.18      -1.69   -12.53     16
  15       C     0.20     2.73     6.30      38.15       0.24     2.97     16
  16       C    -0.06    -0.29     9.97      22.39       0.22    -0.07     16
  17       C    -0.07    -0.71     8.61      22.25       0.19    -0.52     16
  18       C     0.31     5.92     4.82      22.29       0.11     6.02     16
  19       F    -0.22    -8.97    16.66      44.97       0.75    -8.22     16
  20       F    -0.16    -5.55    15.31      44.97       0.69    -4.86     16
  21       F    -0.16    -4.73    15.30      44.97       0.69    -4.04     16
  22       F    -0.17    -5.58    15.30      44.97       0.69    -4.89     16
  23       F    -0.15    -4.67    15.32      44.97       0.69    -3.98     16
  24       C    -0.08    -1.56     8.61      22.25       0.19    -1.37     16
  25       C    -0.08    -1.50     8.69      22.39       0.19    -1.30     16
  26       H     0.10     4.41     7.65      -2.91      -0.02     4.39     16
  27       H     0.15     2.96     8.06      -2.91      -0.02     2.93     16
  28       H     0.17     2.06     8.06      -2.91      -0.02     2.04     16
  29       H     0.16     2.71     8.03      -2.91      -0.02     2.68     16
  30       H     0.08     2.40     8.00      -2.39      -0.02     2.39     16
  31       H     0.06     2.86     5.94      -2.39      -0.01     2.85     16
  32       H     0.40    10.59     8.48     -92.71      -0.79     9.81     16
  33       H     0.44     3.88     8.84     -92.71      -0.82     3.06     16
  34       H     0.23    -1.18     8.06      -2.91      -0.02    -1.20     16
  35       H     0.20     1.22     7.39      -2.91      -0.02     1.20     16
  36       H     0.18     3.32     7.39      -2.91      -0.02     3.29     16
  37       H     0.17     4.22     6.23      -2.91      -0.02     4.20     16
 Total:         -1.00   -98.48   343.51                  2.45   -96.03