REAL300032085448.mol2 36                                                        
   1       O    -0.51   -14.37    11.67      -3.02      -0.04   -14.40     16
   2       C     0.47     5.68     6.91      87.66       0.61     6.29     16
   3       C     0.38     0.97     4.56      71.24       0.32     1.30     16
   4       F    -0.24    -9.85    16.66      44.97       0.75    -9.10     16
   5       F    -0.14    -4.84    13.71      44.97       0.62    -4.22     16
   6       F    -0.18    -4.10    15.87      44.97       0.71    -3.39     16
   7       F    -0.19    -4.64    15.88      44.97       0.71    -3.93     16
   8       F    -0.13    -4.14    13.71      44.97       0.62    -3.52     16
   9       N    -0.59    -3.38     3.07    -788.04      -2.42    -5.80     16
  10       C     0.06    -0.42     6.65      86.85       0.58     0.16     16
  11       C    -0.12     0.51     7.09      31.98       0.23     0.74     16
  12       C    -0.13    -0.62     5.98      31.79       0.19    -0.43     16
  13       C     0.14     1.77     2.94      45.35       0.13     1.90     16
  14       C     0.11     2.89     5.06      86.38       0.44     3.33     16
  15       N    -0.70   -23.03     5.39    -466.29      -2.51   -25.54     16
  16       C     0.60    29.72     7.81      86.69       0.68    30.40     16
  17       O    -0.56   -33.45    15.72      13.46       0.21   -33.24     16
  18       C    -0.09    -4.52     6.69      41.98       0.28    -4.24     16
  19       N    -0.47   -19.65    10.83     -77.88      -0.84   -20.49     16
  20       S     0.52    21.25    24.20     -56.49      -1.37    19.88     16
  21       N    -0.64   -36.99    12.18    -177.21      -2.16   -39.15     16
  22       C     0.35    22.83     8.19      85.12       0.70    23.53     16
  23       O    -0.73   -56.95    17.64     -73.69      -1.30   -58.24     16
  24       H     0.25    -2.35     7.65      -2.39      -0.02    -2.37     16
  25       H     0.26    -3.18     7.28      -2.39      -0.02    -3.20     16
  26       H     0.14    -2.29     7.52      -2.39      -0.02    -2.31     16
  27       H     0.11    -1.13     8.14      -2.38      -0.02    -1.15     16
  28       H     0.09    -0.49     8.14      -2.38      -0.02    -0.50     16
  29       H     0.12    -0.88     8.14      -2.39      -0.02    -0.90     16
  30       H     0.10     0.43     8.14      -2.39      -0.02     0.41     16
  31       H     0.08     0.57     7.79      -2.38      -0.02     0.55     16
  32       H     0.09     1.32     8.14      -2.39      -0.02     1.30     16
  33       H     0.07     1.87     8.07      -2.39      -0.02     1.85     16
  34       H     0.04     1.41     6.96      -2.38      -0.02     1.39     16
  35       H     0.42    11.11     7.67     -92.71      -0.71    10.40     16
 Total:         -1.00  -128.91   332.03                 -3.78  -132.69