REAL300031439063.mol2 36                                                        
   1       O    -0.51    -8.45    12.08      -3.04      -0.04    -8.48     16
   2       C     0.47     1.03     7.15      87.66       0.63     1.66     16
   3       C     0.38    -1.83     5.47      71.24       0.39    -1.44     16
   4       F    -0.24    -8.51    16.66      44.97       0.75    -7.76     16
   5       F    -0.13    -3.16    13.72      44.97       0.62    -2.54     16
   6       F    -0.19    -3.55    15.87      44.97       0.71    -2.83     16
   7       F    -0.13    -3.21    13.70      44.97       0.62    -2.59     16
   8       F    -0.19    -3.52    15.88      44.97       0.71    -2.80     16
   9       N    -0.67     2.44     5.26    -440.03      -2.32     0.13     16
  10       C     0.13     0.49     4.30      45.52       0.20     0.69     16
  11       H     0.10     0.84     7.50      -2.39      -0.02     0.83     16
  12       C    -0.14    -0.90     7.44      31.12       0.23    -0.67     16
  13       C    -0.11    -0.80     3.64     -10.18      -0.04    -0.83     16
  14       H     0.13     0.18     8.14      -2.39      -0.02     0.16     16
  15       C     0.12     2.55     5.51      86.38       0.48     3.02     16
  16       N    -0.70   -19.38     5.55    -466.31      -2.59   -21.97     16
  17       C     0.60    26.88     7.81      86.69       0.68    27.55     16
  18       O    -0.56   -31.09    15.72      13.47       0.21   -30.88     16
  19       C    -0.08    -4.18     6.69      41.98       0.28    -3.89     16
  20       N    -0.46   -17.97    10.83     -77.92      -0.84   -18.81     16
  21       S     0.51    19.53    24.20     -56.49      -1.37    18.17     16
  22       N    -0.65   -35.56    12.18    -177.24      -2.16   -37.72     16
  23       C     0.35    21.72     8.19      85.12       0.70    22.41     16
  24       O    -0.73   -54.91    17.64     -73.67      -1.30   -56.21     16
  25       C    -0.13    -0.58     7.39      31.22       0.23    -0.34     16
  26       H     0.25    -4.38     7.65      -2.38      -0.02    -4.40     16
  27       H     0.25    -4.30     7.65      -2.39      -0.02    -4.31     16
  28       H     0.43    -5.79     8.71     -92.71      -0.81    -6.60     16
  29       H     0.09     0.86     8.10      -2.39      -0.02     0.84     16
  30       H     0.09     0.47     8.14      -2.39      -0.02     0.45     16
  31       H     0.06     1.34     7.85      -2.39      -0.02     1.32     16
  32       H     0.06     1.32     8.14      -2.38      -0.02     1.30     16
  33       H     0.42     8.85     7.96     -92.71      -0.74     8.11     16
  34       H     0.10     0.03     8.14      -2.38      -0.02     0.01     16
  35       H     0.09     0.76     7.91      -2.39      -0.02     0.74     16
 Total:         -1.00  -122.76   338.78                 -4.95  -127.71