REAL300031612738.mol2 33                                                        
   1       O    -0.51   -10.96    11.87      -3.06      -0.04   -11.00     16
   2       C     0.47     4.51     7.02      87.66       0.62     5.12     16
   3       C     0.37     0.57     3.81      71.23       0.27     0.84     16
   4       F    -0.24    -8.98    16.66      44.97       0.75    -8.23     16
   5       F    -0.18    -4.04    15.88      44.97       0.71    -3.32     16
   6       F    -0.13    -3.75    13.71      44.97       0.62    -3.13     16
   7       F    -0.19    -4.06    15.87      44.97       0.71    -3.34     16
   8       F    -0.13    -3.72    13.71      44.97       0.62    -3.10     16
   9       N    -0.58    -4.70     2.95    -818.77      -2.42    -7.12     16
  10       C     0.08     0.25     6.51      86.41       0.56     0.82     16
  11       C     0.03     0.45     6.45      86.41       0.56     1.01     16
  12       N    -0.60   -15.32     2.95    -822.58      -2.42   -17.74     16
  13       C     0.60    24.79     7.67      86.69       0.67    25.45     16
  14       O    -0.56   -29.13    15.17      13.29       0.20   -28.93     16
  15       C    -0.08    -3.37     6.57      41.98       0.28    -3.09     16
  16       N    -0.45   -14.20     7.33     -77.90      -0.57   -14.77     16
  17       S     0.51    16.58    24.20     -56.49      -1.37    15.21     16
  18       N    -0.64   -32.68    12.18    -177.21      -2.16   -34.84     16
  19       C     0.35    20.28     8.18      85.12       0.70    20.98     16
  20       O    -0.74   -52.72    17.66     -73.97      -1.31   -54.02     16
  21       C     0.10     2.08     6.57      86.28       0.57     2.64     16
  22       C     0.11     1.62     6.56      86.28       0.57     2.18     16
  23       H     0.25    -2.65     7.21      -2.39      -0.02    -2.67     16
  24       H     0.25    -2.73     7.43      -2.38      -0.02    -2.75     16
  25       H     0.10     0.44     8.14      -2.39      -0.02     0.42     16
  26       H     0.15    -1.65     5.91      -2.39      -0.01    -1.66     16
  27       H     0.17     2.95     3.42     -92.04      -0.32     2.64     16
  28       H     0.10     0.86     8.14      -2.39      -0.02     0.84     16
  29       H     0.09     2.32     7.02      -2.38      -0.02     2.30     16
  30       H     0.09     1.59     8.14      -2.39      -0.02     1.57     16
  31       H     0.11     1.72     7.00      -2.39      -0.02     1.70     16
  32       H     0.09     1.35     8.14      -2.38      -0.02     1.33     16
 Total:         -1.00  -112.30   300.06                 -2.37  -114.67