REAL300000674714.mol2 33                                                        
   1       O    -0.75   -52.47    18.00      19.03       0.34   -52.13     16
   2       C     0.51    32.13     5.93      71.24       0.42    32.56     16
   3       O    -0.72   -51.19    16.81      24.52       0.41   -50.78     16
   4       C    -0.20    -8.47     1.75     -52.93      -0.09    -8.56     16
   5       C    -0.08    -2.25     5.63      29.85       0.17    -2.08     16
   6       C     0.51    15.43     7.52      87.66       0.66    16.09     16
   7       O    -0.51   -21.89    11.63      13.39       0.16   -21.74     16
   8       N    -0.65   -11.98     5.34    -303.50      -1.62   -13.60     16
   9       C     0.21     3.85     6.29      38.15       0.24     4.09     16
  10       C    -0.12    -2.24     8.69      22.39       0.19    -2.04     16
  11       C    -0.01    -0.12    10.04      22.25       0.22     0.10     16
  12       C    -0.12    -1.54     8.62      22.29       0.19    -1.35     16
  13       C     0.36     6.95     4.82      22.25       0.11     7.06     16
  14       F    -0.21    -8.56    16.66      44.97       0.75    -7.81     16
  15       F    -0.16    -4.85    15.31      44.97       0.69    -4.16     16
  16       F    -0.17    -5.18    15.30      44.97       0.69    -4.49     16
  17       F    -0.16    -4.74    15.31      44.97       0.69    -4.05     16
  18       F    -0.17    -5.33    15.32      44.97       0.69    -4.64     16
  19       C    -0.15    -2.35     8.54      22.39       0.19    -2.16     16
  20       C    -0.14    -5.03     9.95      30.59       0.30    -4.72     16
  21       C    -0.15    -5.76     9.76      30.59       0.30    -5.46     16
  22       H     0.11     3.11     8.14      -2.39      -0.02     3.09     16
  23       H     0.15     2.53     8.10      -2.39      -0.02     2.51     16
  24       H     0.44     4.07     8.82     -92.71      -0.82     3.25     16
  25       H     0.16     4.14     6.28      -2.91      -0.02     4.12     16
  26       H     0.22     0.78     8.06      -2.91      -0.02     0.76     16
  27       H     0.20     1.95     7.39      -2.91      -0.02     1.93     16
  28       H     0.20     2.64     7.39      -2.91      -0.02     2.62     16
  29       H     0.14     3.35     8.14      -2.39      -0.02     3.33     16
  30       H     0.07     2.62     8.14      -2.39      -0.02     2.60     16
  31       H     0.06     2.64     8.06      -2.38      -0.02     2.63     16
  32       H     0.12     3.49     8.14      -2.39      -0.02     3.47     16
 Total:         -1.00  -104.25   303.88                  4.68   -99.56