REAL300032003445.mol2 36                                                        
   1       O    -0.52   -10.62    12.72      -3.04      -0.04   -10.66     16
   2       C     0.48     3.09     7.17      87.66       0.63     3.71     16
   3       C     0.38    -0.63     4.66      71.24       0.33    -0.29     16
   4       F    -0.24    -8.68    16.66      44.97       0.75    -7.93     16
   5       F    -0.19    -3.80    15.87      44.97       0.71    -3.09     16
   6       F    -0.13    -3.48    13.72      44.97       0.62    -2.87     16
   7       F    -0.18    -3.65    15.88      44.97       0.71    -2.93     16
   8       F    -0.14    -3.65    13.70      44.97       0.62    -3.03     16
   9       N    -0.59    -0.96     3.32    -811.39      -2.70    -3.66     16
  10       C     0.07    -0.49     6.48      86.73       0.56     0.08     16
  11       C    -0.13    -0.05     6.12      31.78       0.19     0.14     16
  12       C    -0.10    -0.69     3.12      -9.33      -0.03    -0.72     16
  13       C     0.13     2.43     5.12      86.38       0.44     2.88     16
  14       N    -0.70   -18.59     5.40    -466.31      -2.52   -21.11     16
  15       C     0.60    26.35     7.81      86.69       0.68    27.03     16
  16       O    -0.56   -30.23    15.72      13.47       0.21   -30.02     16
  17       C    -0.08    -4.09     6.69      41.97       0.28    -3.81     16
  18       N    -0.46   -17.76    10.83     -77.88      -0.84   -18.61     16
  19       S     0.51    19.40    24.20     -56.49      -1.37    18.03     16
  20       N    -0.65   -35.30    12.18    -177.20      -2.16   -37.46     16
  21       C     0.35    21.52     8.19      85.12       0.70    22.22     16
  22       O    -0.73   -54.44    17.64     -73.76      -1.30   -55.74     16
  23       C     0.12     0.90     6.38      86.93       0.56     1.45     16
  24       H     0.25    -3.48     7.65      -2.38      -0.02    -3.50     16
  25       H     0.25    -3.60     7.65      -2.39      -0.02    -3.61     16
  26       H     0.13    -1.83     8.14      -2.38      -0.02    -1.85     16
  27       H     0.12    -1.63     8.14      -2.39      -0.02    -1.65     16
  28       H     0.11    -0.16     8.14      -2.39      -0.02    -0.18     16
  29       H     0.08     0.25     8.01      -2.39      -0.02     0.23     16
  30       H     0.11     0.60     8.14      -2.38      -0.02     0.58     16
  31       H     0.07     1.39     8.11      -2.39      -0.02     1.37     16
  32       H     0.06     1.32     8.14      -2.39      -0.02     1.30     16
  33       H     0.42     8.56     7.83     -92.70      -0.73     7.83     16
  34       H     0.09     0.77     8.03      -2.39      -0.02     0.75     16
  35       H     0.08     0.90     8.03      -2.39      -0.02     0.88     16
 Total:         -1.00  -120.35   335.61                 -3.90  -124.25