REAL300031403587.mol2 34                                                        
   1       O    -0.50   -14.84    12.72      -3.04      -0.04   -14.88     16
   2       C     0.47     6.45     7.17      87.66       0.63     7.08     16
   3       C     0.41     1.46     4.66      71.24       0.33     1.79     16
   4       F    -0.12    -4.41    16.66      44.97       0.75    -3.66     16
   5       F    -0.18    -6.01    13.72      44.97       0.62    -5.39     16
   6       F    -0.27    -6.52    15.87      44.97       0.71    -5.81     16
   7       F    -0.19    -6.04    13.70      44.97       0.62    -5.43     16
   8       F    -0.14    -3.26    15.88      44.97       0.71    -2.55     16
   9       N    -0.59    -4.95     3.33    -811.82      -2.70    -7.65     16
  10       C     0.10     1.77     6.60      86.85       0.57     2.34     16
  11       C     0.13     2.28     3.20      46.38       0.15     2.43     16
  12       H     0.11     2.35     7.73      -2.39      -0.02     2.33     16
  13       N    -0.68   -19.62     4.89    -439.13      -2.15   -21.77     16
  14       C     0.60    27.72     7.81      86.69       0.68    28.40     16
  15       O    -0.55   -30.44    15.47      13.46       0.21   -30.23     16
  16       C    -0.09    -4.43     6.69      41.98       0.28    -4.15     16
  17       N    -0.47   -19.39    10.83     -77.90      -0.84   -20.23     16
  18       S     0.51    20.91    24.20     -56.49      -1.37    19.54     16
  19       N    -0.65   -37.08    12.18    -177.20      -2.16   -39.23     16
  20       C     0.35    22.49     8.19      85.12       0.70    23.19     16
  21       O    -0.73   -55.89    17.64     -73.66      -1.30   -57.19     16
  22       C     0.11     0.28     4.12      31.78       0.13     0.41     16
  23       H     0.14    -0.57     8.14      -2.39      -0.02    -0.59     16
  24       O    -0.56    -2.59    12.57    -148.98      -1.87    -4.46     16
  25       C     0.03    -0.12     6.25      86.73       0.54     0.42     16
  26       H     0.25    -2.74     7.65      -2.38      -0.02    -2.76     16
  27       H     0.24    -2.07     7.65      -2.39      -0.02    -2.09     16
  28       H     0.12     1.55     8.14      -2.39      -0.02     1.53     16
  29       H     0.05     1.42     8.04      -2.38      -0.02     1.40     16
  30       H     0.42    10.19     7.69     -92.71      -0.71     9.48     16
  31       H     0.41    -2.95     9.12     -74.06      -0.68    -3.62     16
  32       H     0.12    -0.99     8.06      -2.39      -0.02    -1.01     16
  33       H     0.16    -2.45     8.14      -2.39      -0.02    -2.47     16
 Total:         -1.00  -128.48   324.68                 -6.34  -134.82