REAL300031684976.mol2 36                                                        
   1       C     0.03    -0.13     9.13     127.77       1.17     1.03     16
   2       N    -0.58    -2.54     2.88    -815.96      -2.35    -4.89     16
   3       C     0.46     3.57     7.00      87.66       0.61     4.19     16
   4       O    -0.51   -10.55    11.83      -3.04      -0.04   -10.59     16
   5       C     0.37    -0.16     4.02      71.24       0.29     0.13     16
   6       F    -0.22    -7.94    16.66      44.97       0.75    -7.19     16
   7       F    -0.13    -3.31    13.71      44.97       0.62    -2.69     16
   8       F    -0.18    -3.77    15.88      44.97       0.71    -3.06     16
   9       F    -0.14    -3.79    13.71      44.97       0.62    -3.17     16
  10       F    -0.18    -3.40    15.87      44.97       0.71    -2.69     16
  11       C     0.15     1.87     3.36      46.18       0.16     2.02     16
  12       C    -0.12    -1.25     6.61      31.99       0.21    -1.04     16
  13       C     0.10     2.14     6.04      86.86       0.52     2.66     16
  14       N    -0.60   -18.88     3.33    -815.56      -2.71   -21.59     16
  15       C     0.61    28.66     7.84      86.69       0.68    29.34     16
  16       O    -0.56   -31.42    16.05      13.49       0.22   -31.20     16
  17       C    -0.08    -4.01     6.62      41.98       0.28    -3.74     16
  18       N    -0.46   -18.16     8.03     -77.90      -0.63   -18.78     16
  19       S     0.51    19.68    24.20     -56.49      -1.37    18.31     16
  20       N    -0.64   -35.67    12.18    -177.23      -2.16   -37.83     16
  21       C     0.35    22.00     8.19      85.12       0.70    22.70     16
  22       O    -0.73   -54.91    17.64     -73.70      -1.30   -56.21     16
  23       C     0.10     2.16     6.50      86.73       0.56     2.73     16
  24       H     0.09    -0.48     7.89      -2.39      -0.02    -0.49     16
  25       H     0.10    -0.32     6.08      -2.38      -0.01    -0.33     16
  26       H     0.13    -2.10     6.44      -2.39      -0.02    -2.12     16
  27       H     0.24    -2.82     7.61      -2.39      -0.02    -2.83     16
  28       H     0.25    -3.48     6.91      -2.39      -0.02    -3.49     16
  29       H     0.11     1.88     6.99      -2.39      -0.02     1.86     16
  30       H     0.12     0.77     8.14      -2.39      -0.02     0.75     16
  31       H     0.11     0.62     6.09      -2.39      -0.01     0.60     16
  32       H     0.07     1.55     8.14      -2.39      -0.02     1.53     16
  33       H     0.10     2.38     6.02      -2.38      -0.01     2.36     16
  34       H     0.09     1.69     6.94      -2.39      -0.02     1.67     16
  35       H     0.06     1.51     8.14      -2.39      -0.02     1.49     16
 Total:         -1.00  -118.62   322.67                 -1.95  -120.58