REAL300031397602.mol2 34                                                        
   1       O    -0.49   -36.28    12.16      -3.04      -0.04   -36.32     16
   2       C     0.48    29.18     7.15      87.66       0.63    29.80     16
   3       C     0.39    29.50     5.47      71.24       0.39    29.89     16
   4       F    -0.32   -40.64    16.66      44.97       0.75   -39.89     16
   5       F    -0.71   -83.40    15.87      44.97       0.71   -82.69     16
   6       F    -0.49   -53.55    13.72      44.97       0.62   -52.93     16
   7       F    -0.67   -77.84    15.88      44.97       0.71   -77.12     16
   8       F    -0.49   -53.66    13.70      44.97       0.62   -53.04     16
   9       N    -0.69   -23.27     5.18    -435.95      -2.26   -25.53     16
  10       C     0.13     2.62     3.25      46.39       0.15     2.77     16
  11       H     0.10     2.54     7.64      -2.38      -0.02     2.52     16
  12       C     0.09     1.60     6.60      86.86       0.57     2.17     16
  13       N    -0.54    -0.84     3.33    -815.49      -2.71    -3.55     16
  14       C     0.55    -0.15     7.84      86.69       0.68     0.53     16
  15       O    -0.51    -7.06    15.98      13.48       0.22    -6.84     16
  16       C     0.31    -5.33     6.62      41.98       0.28    -5.05     16
  17       N    -0.61    18.51     8.35     -77.88      -0.65    17.86     16
  18       S     1.49   -61.15    24.20     -56.49      -1.37   -62.52     16
  19       N    -0.51    13.39    12.18    -177.22      -2.16    11.23     16
  20       C     0.37    -5.95     8.19      85.12       0.70    -5.26     16
  21       O    -0.18     0.33    17.64     -73.70      -1.30    -0.97     16
  22       C     0.06    -0.69     5.22      86.74       0.45    -0.24     16
  23       C     0.11     0.00     4.20      31.80       0.13     0.13     16
  24       H     0.13    -0.60     8.14      -2.39      -0.02    -0.62     16
  25       O    -0.57     0.26    12.16    -148.98      -1.81    -1.55     16
  26       H     0.13     8.67     7.65      -2.38      -0.02     8.65     16
  27       H     0.13     8.85     7.65      -2.39      -0.02     8.83     16
  28       H     0.43    10.86     7.57     -92.71      -0.70    10.16     16
  29       H     0.10     1.93     8.14      -2.38      -0.02     1.91     16
  30       H     0.06     1.71     8.04      -2.39      -0.02     1.69     16
  31       H     0.15    -3.37     7.55      -2.38      -0.02    -3.39     16
  32       H     0.14    -2.80     7.52      -2.39      -0.02    -2.82     16
  33       H     0.41    -5.54     9.09     -74.06      -0.67    -6.22     16
 Total:         -1.00  -332.18   320.51                 -6.21  -338.39