REAL300032639544.mol2 33                                                        
   1       O    -0.48   -32.85    11.85      -3.04      -0.04   -32.89     16
   2       C     0.48    25.58     6.99      87.66       0.61    26.20     16
   3       C     0.39    26.09     5.47      71.24       0.39    26.48     16
   4       F    -0.33   -40.02    16.66      44.97       0.75   -39.27     16
   5       F    -0.48   -51.28    13.71      44.97       0.62   -50.66     16
   6       F    -0.67   -72.38    15.87      44.97       0.71   -71.67     16
   7       F    -0.71   -80.77    15.88      44.97       0.71   -80.06     16
   8       F    -0.48   -48.82    13.71      44.97       0.62   -48.21     16
   9       N    -0.68   -18.10     4.39    -422.91      -1.86   -19.96     16
  10       C     0.06     1.17     2.18       3.60       0.01     1.17     16
  11       C     0.15     2.05     5.90      86.38       0.51     2.56     16
  12       N    -0.65    -3.64     5.46    -466.29      -2.55    -6.18     16
  13       C     0.55     1.13     7.81      86.69       0.68     1.81     16
  14       O    -0.49    -4.92    15.72      13.48       0.21    -4.71     16
  15       C     0.30    -3.09     6.69      41.98       0.28    -2.80     16
  16       N    -0.63    11.25    10.83     -77.90      -0.84    10.41     16
  17       S     1.48   -43.96    24.20     -56.49      -1.37   -45.32     16
  18       N    -0.50     9.74    12.18    -177.23      -2.16     7.58     16
  19       C     0.37    -4.16     8.19      85.12       0.70    -3.46     16
  20       O    -0.16     0.14    17.64     -73.75      -1.30    -1.16     16
  21       C    -0.10    -0.98    10.10      30.59       0.31    -0.67     16
  22       C    -0.19    -4.86     9.22      30.59       0.28    -4.58     16
  23       H     0.12     7.48     7.65      -2.39      -0.02     7.46     16
  24       H     0.14     7.77     7.65      -2.38      -0.02     7.75     16
  25       H     0.43     5.59     8.66     -92.70      -0.80     4.79     16
  26       H     0.14     0.73     7.90      -2.39      -0.02     0.71     16
  27       H     0.06     1.35     8.14      -2.39      -0.02     1.34     16
  28       H     0.43     0.65     6.97     -92.70      -0.65     0.01     16
  29       H     0.16     0.10     8.06      -2.38      -0.02     0.08     16
  30       H     0.12     1.03     8.14      -2.39      -0.02     1.01     16
  31       H     0.06     2.13     8.14      -2.39      -0.02     2.11     16
  32       H     0.12     2.62     8.14      -2.39      -0.02     2.60     16
 Total:         -1.00  -303.20   320.10                 -4.32  -307.52