REAL300032853570.mol2 36                                                        
   1       O    -0.49   -37.53    12.46      -3.04      -0.04   -37.57     16
   2       C     0.47    27.23     7.15      87.66       0.63    27.86     16
   3       C     0.40    27.72     5.47      71.23       0.39    28.11     16
   4       F    -0.33   -39.88    16.66      44.97       0.75   -39.13     16
   5       F    -0.65   -72.90    15.87      44.97       0.71   -72.19     16
   6       F    -0.53   -56.98    13.71      44.97       0.62   -56.36     16
   7       F    -0.65   -71.45    15.88      44.97       0.71   -70.74     16
   8       F    -0.51   -55.65    13.71      44.97       0.62   -55.03     16
   9       N    -0.70   -21.78     5.38    -463.05      -2.49   -24.27     16
  10       C     0.12     3.03     4.89      86.38       0.42     3.46     16
  11       C     0.13     0.98     0.64       4.13       0.00     0.99     16
  12       N    -0.63     1.23     4.51    -423.67      -1.91    -0.68     16
  13       C     0.54     0.68     7.36      86.69       0.64     1.31     16
  14       O    -0.48    -6.44    13.75      13.48       0.19    -6.26     16
  15       C     0.30    -3.22     6.69      41.98       0.28    -2.94     16
  16       N    -0.61    13.61    10.84     -77.91      -0.84    12.76     16
  17       S     1.48   -46.93    24.20     -56.49      -1.37   -48.30     16
  18       N    -0.51     8.71    12.18    -177.21      -2.16     6.55     16
  19       C     0.36    -2.83     8.19      85.12       0.70    -2.13     16
  20       O    -0.17    -0.94    17.64     -73.69      -1.30    -2.23     16
  21       C    -0.12    -0.18     7.36      31.12       0.23     0.05     16
  22       C    -0.12     0.19     7.99      31.12       0.25     0.44     16
  23       C    -0.13    -0.79     6.97      31.12       0.22    -0.57     16
  24       H     0.14     8.10     7.65      -2.39      -0.02     8.09     16
  25       H     0.14     7.83     7.65      -2.39      -0.02     7.81     16
  26       H     0.42     6.93     8.09     -92.71      -0.75     6.18     16
  27       H     0.07     2.06     7.92      -2.39      -0.02     2.04     16
  28       H     0.05     1.61     7.28      -2.38      -0.02     1.59     16
  29       H     0.44    -5.45     8.16     -92.71      -0.76    -6.21     16
  30       H     0.12    -0.59     8.09      -2.39      -0.02    -0.61     16
  31       H     0.10     0.60     7.95      -2.39      -0.02     0.58     16
  32       H     0.11    -0.84     8.14      -2.39      -0.02    -0.86     16
  33       H     0.08    -0.06     8.14      -2.39      -0.02    -0.08     16
  34       H     0.09     0.87     8.10      -2.39      -0.02     0.85     16
  35       H     0.08     0.45     7.30      -2.39      -0.02     0.43     16
 Total:         -1.00  -312.60   333.96                 -4.45  -317.05