REAL300031708238.mol2 36                                                        
   1       O    -0.51    -9.62    12.13      -3.03      -0.04    -9.66     16
   2       C     0.46     2.38     7.12      87.66       0.62     3.01     16
   3       C     0.37    -0.97     5.47      71.24       0.39    -0.58     16
   4       F    -0.23    -7.97    16.66      44.97       0.75    -7.22     16
   5       F    -0.13    -3.41    13.71      44.97       0.62    -2.80     16
   6       F    -0.18    -3.45    15.87      44.97       0.71    -2.74     16
   7       F    -0.13    -3.20    13.71      44.97       0.62    -2.59     16
   8       F    -0.18    -3.68    15.88      44.97       0.71    -2.97     16
   9       N    -0.68    -0.40     5.08    -442.43      -2.25    -2.64     16
  10       C     0.16     1.61     2.41      45.01       0.11     1.72     16
  11       C    -0.13    -2.25     5.65      30.67       0.17    -2.07     16
  12       C     0.11     2.89     6.43      86.36       0.55     3.45     16
  13       N    -0.59   -18.79     2.97    -822.68      -2.45   -21.24     16
  14       C     0.60    27.73     7.68      86.69       0.67    28.40     16
  15       O    -0.56   -31.96    15.17      13.25       0.20   -31.76     16
  16       C    -0.08    -3.71     6.56      41.98       0.28    -3.43     16
  17       N    -0.45   -16.86     7.33     -77.91      -0.57   -17.43     16
  18       S     0.50    18.34    24.20     -56.49      -1.37    16.98     16
  19       N    -0.64   -34.55    12.18    -177.21      -2.16   -36.70     16
  20       C     0.35    21.59     8.18      85.12       0.70    22.28     16
  21       O    -0.73   -54.68    17.66     -73.95      -1.31   -55.99     16
  22       C     0.06     1.25     6.24      86.36       0.54     1.79     16
  23       C    -0.12    -1.32     5.55      30.67       0.17    -1.15     16
  24       H     0.25    -3.87     7.65      -2.39      -0.02    -3.88     16
  25       H     0.24    -3.49     7.65      -2.39      -0.02    -3.50     16
  26       H     0.43    -3.94     8.60     -92.70      -0.80    -4.74     16
  27       H     0.09     1.22     7.58      -2.38      -0.02     1.20     16
  28       H     0.08     1.41     8.14      -2.39      -0.02     1.39     16
  29       H     0.07     1.26     8.14      -2.38      -0.02     1.24     16
  30       H     0.08     1.90     8.14      -2.38      -0.02     1.88     16
  31       H     0.07     2.22     7.01      -2.39      -0.02     2.21     16
  32       H     0.08     1.50     8.14      -2.39      -0.02     1.48     16
  33       H     0.15     3.91     3.53     -87.00      -0.31     3.61     16
  34       H     0.08     0.85     8.14      -2.38      -0.02     0.83     16
  35       H     0.12     0.47     8.14      -2.39      -0.02     0.45     16
 Total:         -1.00  -117.57   324.72                 -3.62  -121.19