REAL300031954870.mol2 34                                                        
   1       O    -0.51    -8.80    12.03      -3.04      -0.04    -8.83     16
   2       C     0.47     1.12     7.15      87.66       0.63     1.75     16
   3       C     0.38    -2.10     5.47      71.24       0.39    -1.72     16
   4       F    -0.24    -8.48    16.66      44.97       0.75    -7.74     16
   5       F    -0.19    -3.48    15.87      44.97       0.71    -2.77     16
   6       F    -0.13    -3.17    13.72      44.97       0.62    -2.55     16
   7       F    -0.18    -3.33    15.88      44.97       0.71    -2.61     16
   8       F    -0.13    -3.32    13.70      44.97       0.62    -2.71     16
   9       N    -0.65     2.07     5.56    -442.52      -2.46    -0.39     16
  10       C     0.13     0.90     5.93      44.99       0.27     1.16     16
  11       H     0.13     1.60     7.40      -2.39      -0.02     1.58     16
  12       C    -0.17    -1.85     6.97      -9.94      -0.07    -1.92     16
  13       H     0.16     0.86     8.14      -2.38      -0.02     0.84     16
  14       C     0.12     2.87     6.85      86.53       0.59     3.46     16
  15       N    -0.61   -20.01     3.32    -804.87      -2.67   -22.68     16
  16       C     0.62    29.82     7.90      86.69       0.69    30.50     16
  17       O    -0.56   -32.45    15.99      13.46       0.22   -32.24     16
  18       C    -0.08    -4.09     6.64      41.98       0.28    -3.81     16
  19       N    -0.46   -18.40     8.03     -77.87      -0.63   -19.03     16
  20       S     0.51    19.90    24.20     -56.49      -1.37    18.53     16
  21       N    -0.64   -35.81    12.18    -177.21      -2.16   -37.97     16
  22       C     0.36    22.24     8.19      85.12       0.70    22.94     16
  23       O    -0.73   -55.52    17.64     -73.73      -1.30   -56.82     16
  24       C     0.11     2.39     6.47      87.74       0.57     2.96     16
  25       C    -0.15    -1.47     7.33      -8.72      -0.06    -1.53     16
  26       H     0.17     0.60     8.14      -2.39      -0.02     0.58     16
  27       H     0.25    -4.64     7.65      -2.38      -0.02    -4.66     16
  28       H     0.26    -4.75     7.65      -2.39      -0.02    -4.76     16
  29       H     0.44    -6.12     8.83     -92.71      -0.82    -6.94     16
  30       H     0.08     2.04     7.88      -2.38      -0.02     2.03     16
  31       H     0.08     1.78     8.14      -2.38      -0.02     1.76     16
  32       H     0.11     2.79     5.31      -2.39      -0.01     2.78     16
  33       H     0.08     1.67     8.14      -2.38      -0.02     1.65     16
 Total:         -1.00  -125.12   320.96                 -4.00  -129.13