REAL300032505091.mol2 33                                                        
   1       O    -0.51    -8.99    12.46      -3.04      -0.04    -9.03     16
   2       C     0.46     1.33     7.15      87.66       0.63     1.96     16
   3       C     0.38    -1.62     5.47      71.24       0.39    -1.23     16
   4       F    -0.24    -8.65    16.66      44.97       0.75    -7.90     16
   5       F    -0.13    -3.27    13.72      44.97       0.62    -2.66     16
   6       F    -0.19    -3.64    15.87      44.97       0.71    -2.93     16
   7       F    -0.13    -3.35    13.70      44.97       0.62    -2.74     16
   8       F    -0.19    -3.55    15.88      44.97       0.71    -2.83     16
   9       N    -0.67     2.17     5.50    -463.07      -2.55    -0.38     16
  10       C     0.09     0.33     5.31      86.38       0.46     0.79     16
  11       C     0.11     0.60     3.09      30.59       0.09     0.69     16
  12       O    -0.56    -2.97    13.03    -148.98      -1.94    -4.92     16
  13       C     0.08     1.47     5.34      86.38       0.46     1.94     16
  14       N    -0.69   -19.34     5.44    -466.28      -2.54   -21.88     16
  15       C     0.60    26.89     7.81      86.69       0.68    27.56     16
  16       O    -0.56   -30.37    15.72      13.47       0.21   -30.16     16
  17       C    -0.09    -4.25     6.69      41.98       0.28    -3.97     16
  18       N    -0.47   -18.67    10.83     -77.91      -0.84   -19.52     16
  19       S     0.51    20.06    24.20     -56.49      -1.37    18.69     16
  20       N    -0.65   -35.80    12.18    -177.21      -2.16   -37.96     16
  21       C     0.35    21.86     8.19      85.12       0.70    22.56     16
  22       O    -0.73   -54.78    17.64     -73.69      -1.30   -56.08     16
  23       H     0.25    -4.16     7.65      -2.38      -0.02    -4.18     16
  24       H     0.25    -4.24     7.65      -2.39      -0.02    -4.26     16
  25       H     0.44    -5.11     8.47     -92.71      -0.79    -5.90     16
  26       H     0.09     0.47     8.14      -2.39      -0.02     0.45     16
  27       H     0.09     0.55     8.14      -2.39      -0.02     0.53     16
  28       H     0.14     0.26     8.14      -2.38      -0.02     0.24     16
  29       H     0.39     0.89     9.05     -74.06      -0.67     0.22     16
  30       H     0.07     1.37     8.14      -2.39      -0.02     1.35     16
  31       H     0.08     1.50     8.14      -2.39      -0.02     1.48     16
  32       H     0.42     9.86     7.84     -92.71      -0.73     9.14     16
 Total:         -1.00  -123.15   323.24                 -7.74  -130.89