REAL300031524463.mol2 36                                                        
   1       O    -0.51    -8.52    12.06      -3.04      -0.04    -8.55     16
   2       C     0.46     1.21     7.15      87.66       0.63     1.83     16
   3       C     0.38    -1.61     5.47      71.24       0.39    -1.22     16
   4       F    -0.24    -8.61    16.66      44.97       0.75    -7.86     16
   5       F    -0.19    -3.69    15.87      44.97       0.71    -2.98     16
   6       F    -0.13    -3.16    13.72      44.97       0.62    -2.54     16
   7       F    -0.19    -3.64    15.88      44.97       0.71    -2.93     16
   8       F    -0.13    -3.21    13.70      44.97       0.62    -2.60     16
   9       N    -0.67     2.19     5.35    -440.02      -2.36    -0.16     16
  10       C     0.13     0.48     4.24      45.52       0.19     0.67     16
  11       C    -0.14    -0.82     7.44      31.12       0.23    -0.59     16
  12       C    -0.12    -1.17     3.75     -10.27      -0.04    -1.20     16
  13       C     0.13     2.63     5.51      86.38       0.48     3.11     16
  14       N    -0.70   -20.50     5.55    -466.29      -2.59   -23.09     16
  15       C     0.60    27.16     7.81      86.69       0.68    27.83     16
  16       O    -0.56   -30.33    15.72      13.47       0.21   -30.12     16
  17       C    -0.08    -4.22     6.69      41.98       0.28    -3.93     16
  18       N    -0.47   -19.10    10.83     -77.90      -0.84   -19.95     16
  19       S     0.51    20.17    24.20     -56.49      -1.37    18.80     16
  20       N    -0.64   -35.88    12.18    -177.20      -2.16   -38.04     16
  21       C     0.35    21.93     8.19      85.12       0.70    22.63     16
  22       O    -0.73   -54.47    17.64     -73.62      -1.30   -55.77     16
  23       C    -0.13    -0.55     7.38      31.12       0.23    -0.32     16
  24       H     0.25    -4.15     7.65      -2.38      -0.02    -4.17     16
  25       H     0.25    -4.09     7.65      -2.39      -0.02    -4.11     16
  26       H     0.43    -5.49     8.73     -92.71      -0.81    -6.30     16
  27       H     0.11     0.88     7.46      -2.39      -0.02     0.87     16
  28       H     0.07     0.63     8.14      -2.39      -0.02     0.61     16
  29       H     0.11     0.38     8.10      -2.39      -0.02     0.36     16
  30       H     0.11     1.08     8.14      -2.39      -0.02     1.06     16
  31       H     0.06     1.31     8.14      -2.39      -0.02     1.29     16
  32       H     0.07     1.43     7.84      -2.39      -0.02     1.41     16
  33       H     0.41    10.21     7.96     -92.71      -0.74     9.47     16
  34       H     0.11     0.18     7.87      -2.39      -0.02     0.16     16
  35       H     0.09     0.42     8.14      -2.39      -0.02     0.40     16
 Total:         -1.00  -120.92   338.84                 -5.00  -125.92