REAL300033168177.mol2 38                                                        
   1       C    -0.14    -2.96     7.74      71.98       0.56    -2.41     16
   2       C    -0.10    -1.26     2.63     -10.79      -0.03    -1.29     16
   3       C     0.14     1.12     5.06      86.38       0.44     1.56     16
   4       N    -0.68    -0.69     5.28    -463.06      -2.45    -3.14     16
   5       C     0.46     2.69     7.15      87.66       0.63     3.31     16
   6       O    -0.51   -10.02    12.46      -3.02      -0.04   -10.05     16
   7       C     0.38    -0.61     5.47      71.24       0.39    -0.22     16
   8       F    -0.24    -8.96    16.66      44.97       0.75    -8.21     16
   9       F    -0.13    -3.67    13.71      44.97       0.62    -3.05     16
  10       F    -0.19    -3.82    15.87      44.97       0.71    -3.10     16
  11       F    -0.13    -3.28    13.71      44.97       0.62    -2.67     16
  12       F    -0.19    -4.15    15.88      44.97       0.71    -3.44     16
  13       C     0.12     2.26     4.97      86.38       0.43     2.69     16
  14       N    -0.60   -16.92     2.76    -850.59      -2.35   -19.26     16
  15       C     0.09     1.90     9.19     127.77       1.17     3.07     16
  16       C     0.60    26.06     6.40      86.69       0.56    26.62     16
  17       O    -0.54   -28.19    13.14      13.28       0.17   -28.01     16
  18       C    -0.08    -4.07     6.45      41.98       0.27    -3.80     16
  19       N    -0.45   -17.86     7.65     -77.89      -0.60   -18.46     16
  20       S     0.48    18.93    24.20     -56.49      -1.37    17.56     16
  21       N    -0.65   -35.77    12.18    -177.20      -2.16   -37.93     16
  22       C     0.35    21.68     8.18      85.12       0.70    22.38     16
  23       O    -0.73   -53.96    17.66     -73.88      -1.30   -55.26     16
  24       H     0.08     0.95     7.18      -2.39      -0.02     0.93     16
  25       H     0.02     0.67     5.95      -2.39      -0.01     0.66     16
  26       H     0.03     0.98     7.92      -2.39      -0.02     0.96     16
  27       H     0.11     0.76     8.14      -2.39      -0.02     0.74     16
  28       H     0.07     0.88     8.14      -2.39      -0.02     0.86     16
  29       H     0.10     0.65     8.14      -2.39      -0.02     0.63     16
  30       H     0.43    -3.20     7.66     -92.71      -0.71    -3.91     16
  31       H     0.25    -3.77     7.65      -2.39      -0.02    -3.79     16
  32       H     0.25    -3.20     7.65      -2.39      -0.02    -3.22     16
  33       H     0.12     1.34     8.07      -2.39      -0.02     1.32     16
  34       H     0.06     1.55     7.50      -2.39      -0.02     1.53     16
  35       H     0.05     1.20     8.07      -2.39      -0.02     1.18     16
  36       H     0.07     1.78     5.83      -2.38      -0.01     1.77     16
  37       H     0.11     1.18     8.03      -2.39      -0.02     1.16     16
 Total:         -1.00  -119.78   340.35                 -2.51  -122.29