REAL300032389208.mol2 35                                                        
   1       C    -0.16    -0.68     8.94      71.98       0.64    -0.03     16
   2       C    -0.09    -0.60     2.46     -10.79      -0.03    -0.62     16
   3       C     0.13     0.74     5.06      86.38       0.44     1.18     16
   4       N    -0.68     2.18     5.28    -463.06      -2.45    -0.27     16
   5       C     0.46     1.43     7.15      87.66       0.63     2.06     16
   6       O    -0.51    -9.45    12.46      -3.03      -0.04    -9.49     16
   7       C     0.38    -1.77     5.47      71.24       0.39    -1.39     16
   8       F    -0.24    -8.70    16.66      44.97       0.75    -7.95     16
   9       F    -0.13    -3.36    13.71      44.97       0.62    -2.74     16
  10       F    -0.19    -3.54    15.87      44.97       0.71    -2.83     16
  11       F    -0.19    -3.56    15.88      44.97       0.71    -2.85     16
  12       F    -0.13    -3.34    13.71      44.97       0.62    -2.72     16
  13       C     0.12     2.43     5.06      86.38       0.44     2.86     16
  14       N    -0.70   -19.73     5.28    -466.30      -2.46   -22.19     16
  15       C     0.60    27.20     7.81      86.69       0.68    27.88     16
  16       O    -0.56   -31.10    15.72      13.47       0.21   -30.89     16
  17       C    -0.08    -4.22     6.69      41.98       0.28    -3.94     16
  18       N    -0.47   -18.35    10.83     -77.90      -0.84   -19.19     16
  19       S     0.52    19.86    24.20     -56.49      -1.37    18.50     16
  20       N    -0.65   -35.75    12.18    -177.21      -2.16   -37.91     16
  21       C     0.35    21.88     8.19      85.12       0.70    22.57     16
  22       O    -0.73   -55.11    17.64     -73.73      -1.30   -56.41     16
  23       H     0.10    -0.42     7.18      -2.39      -0.02    -0.44     16
  24       H     0.06     0.44     7.18      -2.39      -0.02     0.43     16
  25       H     0.05     0.41     8.14      -2.39      -0.02     0.39     16
  26       H     0.12     0.20     8.14      -2.39      -0.02     0.18     16
  27       H     0.07     0.68     8.14      -2.38      -0.02     0.66     16
  28       H     0.07     0.69     8.14      -2.39      -0.02     0.67     16
  29       H     0.43    -5.96     7.66     -92.71      -0.71    -6.67     16
  30       H     0.25    -4.39     7.65      -2.39      -0.02    -4.41     16
  31       H     0.25    -4.45     7.65      -2.39      -0.02    -4.47     16
  32       H     0.06     1.42     8.14      -2.39      -0.02     1.40     16
  33       H     0.06     1.39     8.14      -2.39      -0.02     1.37     16
  34       H     0.42     9.25     7.14     -92.71      -0.66     8.59     16
 Total:         -1.00  -124.28   329.56                 -4.39  -128.67