REAL300032423458.mol2 35                                                        
   1       C    -0.15     0.11     9.19      71.98       0.66     0.77     16
   2       C     0.14     0.74     2.79      44.99       0.13     0.87     16
   3       C     0.10     2.13     4.94      86.38       0.43     2.56     16
   4       N    -0.71   -22.12     5.39    -463.06      -2.49   -24.61     16
   5       C     0.48    27.91     7.15      87.66       0.63    28.54     16
   6       O    -0.49   -35.50    12.46      -3.02      -0.04   -35.54     16
   7       C     0.39    27.71     5.47      71.24       0.39    28.10     16
   8       F    -0.32   -39.33    16.66      44.97       0.75   -38.58     16
   9       F    -0.68   -78.71    15.88      44.97       0.71   -77.99     16
  10       F    -0.46   -49.16    13.71      44.97       0.62   -48.55     16
  11       F    -0.48   -52.73    13.71      44.97       0.62   -52.11     16
  12       F    -0.71   -80.30    15.87      44.97       0.71   -79.58     16
  13       N    -0.54     0.80     2.24    -826.39      -1.85    -1.06     16
  14       C     0.04    -0.34     8.22     127.77       1.05     0.71     16
  15       C     0.54    -1.50     7.35      86.69       0.64    -0.87     16
  16       O    -0.50    -3.16    15.08      13.31       0.20    -2.96     16
  17       C     0.29    -4.19     6.45      41.98       0.27    -3.91     16
  18       N    -0.61    14.56     7.65     -77.91      -0.60    13.97     16
  19       S     1.45   -49.07    24.20     -56.49      -1.37   -50.44     16
  20       N    -0.50    10.55    12.18    -177.21      -2.16     8.39     16
  21       C     0.37    -4.69     8.18      85.12       0.70    -3.99     16
  22       O    -0.17     0.10    17.66     -73.85      -1.30    -1.20     16
  23       H     0.09    -0.48     8.14      -2.39      -0.02    -0.50     16
  24       H     0.08    -0.24     7.67      -2.39      -0.02    -0.25     16
  25       H     0.08     0.16     8.14      -2.39      -0.02     0.14     16
  26       H     0.12     0.87     6.91      -2.39      -0.02     0.85     16
  27       H     0.07     1.88     8.14      -2.39      -0.02     1.86     16
  28       H     0.08     1.67     6.86      -2.39      -0.02     1.66     16
  29       H     0.41     8.97     7.87     -92.71      -0.73     8.24     16
  30       H     0.13     8.14     7.65      -2.39      -0.02     8.12     16
  31       H     0.12     7.88     7.65      -2.39      -0.02     7.86     16
  32       H     0.13    -2.14     8.07      -2.39      -0.02    -2.16     16
  33       H     0.11    -1.24     5.85      -2.38      -0.01    -1.26     16
  34       H     0.08    -0.07     6.53      -2.39      -0.02    -0.09     16
 Total:         -1.00  -310.78   321.92                 -2.24  -313.02