REAL300024859934.mol2 35                                                        
   1       O    -0.50    -6.55    12.06      -3.04      -0.04    -6.58     16
   2       C     0.47     0.45     7.15      87.66       0.63     1.08     16
   3       C     0.37    -1.52     5.47      71.24       0.39    -1.13     16
   4       F    -0.22    -7.44    16.66      44.97       0.75    -6.69     16
   5       F    -0.13    -2.76    13.70      44.97       0.62    -2.15     16
   6       F    -0.19    -3.55    15.88      44.97       0.71    -2.84     16
   7       F    -0.18    -3.29    15.87      44.97       0.71    -2.58     16
   8       F    -0.13    -3.02    13.72      44.97       0.62    -2.40     16
   9       N    -0.68     2.81     5.36    -447.37      -2.40     0.41     16
  10       C     0.12    -0.09     4.43      46.75       0.21     0.12     16
  11       C     0.09     0.47     8.64      86.48       0.75     1.22     16
  12       N    -0.64    -5.60     3.61    -837.16      -3.02    -8.62     16
  13       C     0.56    11.04     8.07      87.65       0.71    11.75     16
  14       O    -0.56   -16.54    16.59      -3.06      -0.05   -16.59     16
  15       C    -0.13    -2.96     5.42      71.23       0.39    -2.57     16
  16       S     0.05     1.78    21.45     -56.49      -1.21     0.57     16
  17       C     0.19     9.34     8.33     179.50       1.49    10.83     16
  18       N    -0.37   -16.90    11.98     -56.73      -0.68   -17.58     16
  19       N    -0.57   -28.83     7.39    -184.37      -1.36   -30.20     16
  20       C     0.55    34.10     9.41     179.01       1.68    35.78     16
  21       O    -0.69   -46.66    18.06      -4.75      -0.09   -46.75     16
  22       N    -0.69   -41.60    11.63    -323.75      -3.77   -45.37     16
  23       C     0.10    -0.07     8.36      86.48       0.72     0.66     16
  24       H     0.25    -4.00     7.65      -2.38      -0.02    -4.01     16
  25       H     0.24    -3.49     7.65      -2.39      -0.02    -3.51     16
  26       H     0.43    -4.35     8.75     -92.71      -0.81    -5.16     16
  27       H     0.14    -0.06     7.46      -2.39      -0.02    -0.08     16
  28       H     0.11     0.42     8.14      -2.39      -0.02     0.40     16
  29       H     0.08     0.62     8.14      -2.39      -0.02     0.60     16
  30       H     0.14     2.47     8.14      -2.40      -0.02     2.45     16
  31       H     0.13     2.66     8.14      -2.40      -0.02     2.64     16
  32       H     0.42    17.93     8.96    -213.28      -1.91    16.02     16
  33       H     0.12    -0.47     8.14      -2.39      -0.02    -0.48     16
  34       H     0.13    -0.41     8.14      -2.38      -0.02    -0.43     16
 Total:         -1.00  -116.07   338.58                 -5.13  -121.20