REAL300000674713.mol2 36                                                        
   1       O    -0.71   -43.23    14.50      19.04       0.28   -42.96     16
   2       C     0.48    28.60     7.20      71.24       0.51    29.11     16
   3       O    -0.75   -51.63    18.00      19.03       0.34   -51.28     16
   4       C    -0.14    -6.40     5.15      29.85       0.15    -6.25     16
   5       C    -0.10    -3.67     1.29     -52.18      -0.07    -3.74     16
   6       C    -0.11    -3.30     4.99      29.85       0.15    -3.15     16
   7       C     0.52    16.30     6.91      87.66       0.61    16.91     16
   8       O    -0.53   -19.11    11.73      -3.05      -0.04   -19.15     16
   9       N    -0.66   -15.16     5.34    -303.51      -1.62   -16.79     16
  10       C     0.22     4.66     6.28      38.15       0.24     4.90     16
  11       C    -0.12    -2.58     8.66      22.39       0.19    -2.38     16
  12       C    -0.01    -0.07    10.04      22.25       0.22     0.16     16
  13       C    -0.12    -1.69     8.62      22.29       0.19    -1.50     16
  14       C     0.36     7.63     4.82      22.25       0.11     7.74     16
  15       F    -0.22    -8.98    16.66      44.97       0.75    -8.23     16
  16       F    -0.15    -4.80    15.30      44.97       0.69    -4.11     16
  17       F    -0.17    -5.57    15.30      44.97       0.69    -4.88     16
  18       F    -0.15    -4.90    15.31      44.97       0.69    -4.21     16
  19       F    -0.17    -5.50    15.32      44.97       0.69    -4.81     16
  20       C    -0.15    -2.82     8.53      22.39       0.19    -2.63     16
  21       C    -0.16    -4.78     9.90      30.60       0.30    -4.48     16
  22       C    -0.16    -4.20     9.93      30.60       0.30    -3.89     16
  23       H     0.06     2.61     7.96      -2.39      -0.02     2.59     16
  24       H     0.07     3.40     6.49      -2.39      -0.02     3.39     16
  25       H     0.12     4.44     5.65      -2.39      -0.01     4.43     16
  26       H     0.13     2.72     8.08      -2.39      -0.02     2.70     16
  27       H     0.44     6.98     8.82     -92.71      -0.82     6.16     16
  28       H     0.15     4.47     6.42      -2.91      -0.02     4.45     16
  29       H     0.23     1.08     8.06      -2.91      -0.02     1.06     16
  30       H     0.20     2.15     7.39      -2.91      -0.02     2.13     16
  31       H     0.19     3.17     7.39      -2.91      -0.02     3.15     16
  32       H     0.11     2.72     8.14      -2.39      -0.02     2.70     16
  33       H     0.08     2.53     8.09      -2.39      -0.02     2.52     16
  34       H     0.09     2.41     8.14      -2.39      -0.02     2.39     16
  35       H     0.11     2.42     8.14      -2.39      -0.02     2.40     16
 Total:         -1.00   -90.10   318.54                  4.52   -85.57