REAL300032212832.mol2 30                                                        
   1       O    -0.48   -33.50    12.06      -3.04      -0.04   -33.54     15
   2       C     0.49    26.32     7.15      87.66       0.63    26.95     15
   3       C     0.39    26.81     5.47      71.24       0.39    27.19     15
   4       F    -0.33   -40.27    16.66      44.97       0.75   -39.52     15
   5       F    -0.48   -51.11    13.72      44.97       0.62   -50.50     15
   6       F    -0.67   -75.87    15.87      44.97       0.71   -75.15     15
   7       F    -0.47   -49.21    13.70      44.97       0.62   -48.60     15
   8       F    -0.72   -83.00    15.88      44.97       0.71   -82.28     15
   9       N    -0.69   -17.53     5.36    -447.37      -2.40   -19.93     15
  10       C     0.09     1.13     4.43      46.75       0.21     1.34     15
  11       C     0.09     0.79     8.64      86.48       0.75     1.54     15
  12       N    -0.58     0.98     3.61    -840.96      -3.03    -2.06     15
  13       C     0.56    -1.83     8.04      86.69       0.70    -1.13     15
  14       O    -0.51    -4.20    16.45      13.45       0.22    -3.98     15
  15       C     0.31    -5.22     6.68      41.98       0.28    -4.94     15
  16       N    -0.62    16.63     9.34     -77.92      -0.73    15.90     15
  17       S     1.48   -55.34    24.20     -56.49      -1.37   -56.71     15
  18       N    -0.51    12.59    12.18    -177.21      -2.16    10.44     15
  19       C     0.37    -5.91     8.19      85.12       0.70    -5.21     15
  20       O    -0.18     0.60    17.64     -73.74      -1.30    -0.70     15
  21       C     0.12    -0.81     7.48      86.48       0.65    -0.16     15
  22       H     0.14     8.13     7.65      -2.38      -0.02     8.11     15
  23       H     0.12     7.70     7.65      -2.39      -0.02     7.68     15
  24       H     0.42     5.90     8.75     -92.71      -0.81     5.08     15
  25       H     0.12     2.24     7.46      -2.39      -0.02     2.22     15
  26       H     0.15     0.46     8.14      -2.39      -0.02     0.44     15
  27       H     0.08     1.28     8.14      -2.39      -0.02     1.26     15
  28       H     0.14    -1.87     7.33      -2.39      -0.02    -1.89     15
  29       H     0.17    -2.59     8.14      -2.38      -0.02    -2.61     15
 Total:         -1.00  -316.71   296.00                 -4.04  -320.75