REAL300031518240.mol2 36                                                        
   1       O    -0.52    -8.74    12.46      -3.04      -0.04    -8.77     16
   2       C     0.46     0.94     7.15      87.66       0.63     1.57     16
   3       C     0.38    -1.94     5.47      71.24       0.39    -1.55     16
   4       F    -0.25    -8.61    16.66      44.97       0.75    -7.86     16
   5       F    -0.19    -3.59    15.87      44.97       0.71    -2.88     16
   6       F    -0.13    -3.17    13.72      44.97       0.62    -2.55     16
   7       F    -0.19    -3.49    15.88      44.97       0.71    -2.77     16
   8       F    -0.13    -3.25    13.70      44.97       0.62    -2.63     16
   9       N    -0.68     3.07     5.56    -463.07      -2.57     0.50     16
  10       C     0.14     0.42     5.51      86.38       0.48     0.89     16
  11       C    -0.09    -0.34     3.75     -10.27      -0.04    -0.38     16
  12       C    -0.12    -0.91     7.38      31.12       0.23    -0.68     16
  13       C     0.10     1.97     4.24      45.52       0.19     2.17     16
  14       N    -0.69   -20.85     5.35    -443.23      -2.37   -23.23     16
  15       C     0.60    27.71     7.81      86.69       0.68    28.39     16
  16       O    -0.56   -30.61    15.32      13.48       0.21   -30.41     16
  17       C    -0.09    -4.35     6.69      41.98       0.28    -4.07     16
  18       N    -0.47   -19.63    10.83     -77.89      -0.84   -20.48     16
  19       S     0.51    20.62    24.20     -56.49      -1.37    19.25     16
  20       N    -0.64   -36.36    12.18    -177.23      -2.16   -38.52     16
  21       C     0.35    22.21     8.19      85.12       0.70    22.91     16
  22       O    -0.73   -54.94    17.64     -73.73      -1.30   -56.24     16
  23       C    -0.15    -2.14     7.44      31.12       0.23    -1.91     16
  24       H     0.25    -4.38     7.65      -2.38      -0.02    -4.40     16
  25       H     0.25    -4.48     7.65      -2.39      -0.02    -4.49     16
  26       H     0.44    -6.36     8.47     -92.71      -0.79    -7.15     16
  27       H     0.07     0.47     7.84      -2.39      -0.02     0.45     16
  28       H     0.07     0.47     8.14      -2.39      -0.02     0.45     16
  29       H     0.13    -0.19     8.14      -2.39      -0.02    -0.21     16
  30       H     0.10     0.34     8.14      -2.39      -0.02     0.32     16
  31       H     0.10     0.67     7.87      -2.39      -0.02     0.65     16
  32       H     0.10     2.40     7.46      -2.39      -0.02     2.38     16
  33       H     0.41    10.64     8.22     -92.71      -0.76     9.88     16
  34       H     0.09     1.35     8.10      -2.39      -0.02     1.33     16
  35       H     0.07     1.17     8.14      -2.39      -0.02     1.15     16
 Total:         -1.00  -123.89   338.83                 -5.01  -128.90