REAL300030979958.mol2 36                                                        
   1       C    -0.16    -0.66     9.44      71.98       0.68     0.02     16
   2       C     0.17     0.71     2.29      44.99       0.10     0.82     16
   3       N    -0.68     1.90     4.94    -442.54      -2.19    -0.29     16
   4       C     0.47     1.44     7.12      87.66       0.62     2.07     16
   5       O    -0.51    -8.61    12.13      -3.05      -0.04    -8.64     16
   6       C     0.37    -1.31     5.47      71.24       0.39    -0.92     16
   7       F    -0.25    -8.88    16.66      44.97       0.75    -8.14     16
   8       F    -0.13    -3.16    13.71      44.97       0.62    -2.54     16
   9       F    -0.19    -3.91    15.88      44.97       0.71    -3.20     16
  10       F    -0.19    -3.71    15.87      44.97       0.71    -3.00     16
  11       F    -0.13    -3.37    13.71      44.97       0.62    -2.76     16
  12       C    -0.10    -0.78     3.36     -10.14      -0.03    -0.81     16
  13       C     0.11     2.04     8.30      86.48       0.72     2.76     16
  14       N    -0.64   -19.30     3.61    -840.42      -3.03   -22.33     16
  15       C     0.62    29.12     8.04      86.69       0.70    29.82     16
  16       O    -0.56   -32.72    16.45      13.46       0.22   -32.50     16
  17       C    -0.08    -4.06     6.68      41.98       0.28    -3.78     16
  18       N    -0.46   -17.66     9.33     -77.90      -0.73   -18.39     16
  19       S     0.51    19.46    24.20     -56.49      -1.37    18.10     16
  20       N    -0.65   -35.90    12.18    -177.21      -2.16   -38.05     16
  21       C     0.35    22.02     8.19      85.12       0.70    22.71     16
  22       O    -0.74   -55.71    17.64     -73.72      -1.30   -57.01     16
  23       C     0.11     1.87     7.17      86.48       0.62     2.49     16
  24       H     0.07     0.40     8.09      -2.39      -0.02     0.38     16
  25       H     0.09     0.01     8.14      -2.39      -0.02    -0.01     16
  26       H     0.05     0.41     8.14      -2.38      -0.02     0.39     16
  27       H     0.09     0.81     7.48      -2.39      -0.02     0.80     16
  28       H     0.43    -5.35     8.60     -92.70      -0.80    -6.15     16
  29       H     0.25    -4.20     7.65      -2.39      -0.02    -4.22     16
  30       H     0.25    -3.72     7.65      -2.39      -0.02    -3.74     16
  31       H     0.14     0.48     8.14      -2.39      -0.02     0.46     16
  32       H     0.09     1.66     8.14      -2.39      -0.02     1.64     16
  33       H     0.10     1.60     8.03      -2.39      -0.02     1.58     16
  34       H     0.09     1.36     8.10      -2.39      -0.02     1.34     16
  35       H     0.10     1.52     7.32      -2.39      -0.02     1.51     16
 Total:         -1.00  -126.20   337.83                 -3.41  -129.61