REAL300033159797.mol2 33                                                        
   1       C     0.05     0.91     9.37     127.77       1.20     2.10     16
   2       N    -0.60   -17.20     3.09    -828.31      -2.56   -19.76     16
   3       C     0.48    26.81     7.00      87.66       0.61    27.43     16
   4       O    -0.48   -33.81    11.95      -3.04      -0.04   -33.84     16
   5       C     0.40    28.25     4.02      71.24       0.29    28.53     16
   6       F    -0.32   -39.31    16.66      44.97       0.75   -38.56     16
   7       F    -0.53   -56.87    13.71      44.97       0.62   -56.25     16
   8       F    -0.66   -72.84    15.88      44.97       0.71   -72.13     16
   9       F    -0.50   -52.46    13.71      44.97       0.62   -51.84     16
  10       F    -0.66   -74.41    15.87      44.97       0.71   -73.69     16
  11       C     0.08     1.25     4.52      46.74       0.21     1.46     16
  12       C     0.11     0.50     7.85      86.48       0.68     1.18     16
  13       N    -0.58     0.96     2.41    -840.96      -2.02    -1.06     16
  14       C     0.57    -2.46     7.72      86.69       0.67    -1.79     16
  15       O    -0.50    -2.07    16.45      13.49       0.22    -1.85     16
  16       C     0.30    -4.63     6.68      41.98       0.28    -4.35     16
  17       N    -0.63    13.93     9.34     -77.93      -0.73    13.20     16
  18       S     1.46   -48.28    24.20     -56.49      -1.37   -49.64     16
  19       N    -0.50    11.49    12.18    -177.22      -2.16     9.34     16
  20       C     0.37    -5.72     8.19      85.12       0.70    -5.03     16
  21       O    -0.17     0.79    17.64     -73.81      -1.30    -0.51     16
  22       C     0.11    -0.06     7.32      86.48       0.63     0.57     16
  23       H     0.09     0.78     8.14      -2.39      -0.02     0.76     16
  24       H     0.11     0.94     5.46      -2.38      -0.01     0.93     16
  25       H     0.06     1.40     6.44      -2.39      -0.02     1.38     16
  26       H     0.13     8.01     7.61      -2.39      -0.02     7.99     16
  27       H     0.12     7.63     6.91      -2.39      -0.02     7.62     16
  28       H     0.11     2.58     7.24      -2.39      -0.02     2.56     16
  29       H     0.16    -0.28     8.14      -2.38      -0.02    -0.30     16
  30       H     0.10     0.73     7.23      -2.39      -0.02     0.71     16
  31       H     0.12    -0.29     7.33      -2.38      -0.02    -0.31     16
  32       H     0.16    -1.36     8.14      -2.38      -0.02    -1.38     16
 Total:         -1.00  -305.09   308.40                 -1.45  -306.54