REAL300033053715.mol2 36                                                        
   1       O    -0.50   -10.58    12.13      -3.04      -0.04   -10.61     16
   2       C     0.46     3.71     7.15      87.66       0.63     4.33     16
   3       C     0.37     0.13     5.47      71.24       0.39     0.52     16
   4       F    -0.23    -8.23    16.66      44.97       0.75    -7.48     16
   5       F    -0.14    -3.95    13.72      44.97       0.62    -3.33     16
   6       F    -0.18    -3.64    15.87      44.97       0.71    -2.92     16
   7       F    -0.12    -3.25    13.70      44.97       0.62    -2.63     16
   8       F    -0.19    -4.24    15.88      44.97       0.71    -3.53     16
   9       N    -0.69    -2.83     5.04    -439.11      -2.21    -5.04     16
  10       C     0.15     1.78     3.00      45.72       0.14     1.92     16
  11       H     0.09     1.53     7.05      -2.39      -0.02     1.52     16
  12       C    -0.12    -1.10     6.53      31.67       0.21    -0.89     16
  13       C    -0.12    -1.40     6.91      31.88       0.22    -1.18     16
  14       C    -0.13    -2.22     6.54      31.71       0.21    -2.02     16
  15       C     0.13     2.46     2.99      45.75       0.14     2.60     16
  16       H     0.10     1.85     7.07      -2.39      -0.02     1.83     16
  17       N    -0.70   -20.25     5.04    -442.11      -2.23   -22.48     16
  18       C     0.61    26.56     7.80      86.69       0.68    27.24     16
  19       O    -0.54   -27.74    15.40      13.46       0.21   -27.54     16
  20       C    -0.08    -4.15     6.69      41.98       0.28    -3.87     16
  21       N    -0.47   -19.92    10.83     -77.90      -0.84   -20.76     16
  22       S     0.51    20.65    24.20     -56.49      -1.37    19.28     16
  23       N    -0.64   -36.09    12.18    -177.22      -2.16   -38.24     16
  24       C     0.36    21.88     8.19      85.12       0.70    22.57     16
  25       O    -0.73   -53.31    17.64     -73.77      -1.30   -54.61     16
  26       H     0.25    -3.39     7.65      -2.38      -0.02    -3.41     16
  27       H     0.24    -2.42     7.65      -2.39      -0.02    -2.44     16
  28       H     0.43    -1.98     8.31     -92.71      -0.77    -2.75     16
  29       H     0.10     0.44     8.05      -2.39      -0.02     0.42     16
  30       H     0.07     0.85     8.14      -2.38      -0.02     0.83     16
  31       H     0.09     0.81     8.14      -2.39      -0.02     0.79     16
  32       H     0.06     0.89     8.14      -2.39      -0.02     0.87     16
  33       H     0.10     1.26     8.14      -2.39      -0.02     1.24     16
  34       H     0.05     1.14     8.04      -2.39      -0.02     1.12     16
  35       H     0.41    10.96     7.79     -92.70      -0.72    10.24     16
 Total:         -1.00  -113.77   333.73                 -4.63  -118.40