REAL300033137673.mol2 32                                                        
   1       C    -0.16    -1.11     9.48      71.98       0.68    -0.43     16
   2       C     0.15     1.37     2.73      44.99       0.12     1.49     16
   3       H     0.09     1.21     7.58      -2.39      -0.02     1.20     16
   4       C     0.11     1.75     5.23      86.38       0.45     2.20     16
   5       N    -0.70   -16.99     5.38    -466.30      -2.51   -19.50     16
   6       C     0.61    24.70     7.81      86.69       0.68    25.37     16
   7       O    -0.55   -27.60    15.72      13.48       0.21   -27.39     16
   8       C    -0.08    -3.87     6.69      41.98       0.28    -3.59     16
   9       N    -0.47   -17.53    10.83     -77.91      -0.84   -18.37     16
  10       S     0.51    19.17    24.20     -56.49      -1.37    17.81     16
  11       N    -0.65   -34.79    12.18    -177.23      -2.16   -36.94     16
  12       C     0.35    21.01     8.19      85.12       0.70    21.70     16
  13       O    -0.73   -52.81    17.64     -73.73      -1.30   -54.11     16
  14       N    -0.69    -2.12     4.52    -442.52      -2.00    -4.11     16
  15       C     0.47     3.37     7.12      87.66       0.62     4.00     16
  16       O    -0.50    -9.82    12.13      -3.05      -0.04    -9.86     16
  17       C     0.38     0.29     5.47      71.24       0.39     0.68     16
  18       F    -0.24    -9.18    16.66      44.97       0.75    -8.43     16
  19       F    -0.13    -3.68    13.71      44.97       0.62    -3.06     16
  20       F    -0.19    -4.21    15.87      44.97       0.71    -3.49     16
  21       F    -0.13    -3.42    13.71      44.97       0.62    -2.81     16
  22       F    -0.19    -4.50    15.88      44.97       0.71    -3.79     16
  23       H     0.08     0.59     8.14      -2.39      -0.02     0.57     16
  24       H     0.08     0.32     8.14      -2.39      -0.02     0.30     16
  25       H     0.06     0.60     8.14      -2.39      -0.02     0.58     16
  26       H     0.09     1.29     8.14      -2.39      -0.02     1.27     16
  27       H     0.08     1.54     8.14      -2.39      -0.02     1.52     16
  28       H     0.41     8.22     7.63     -92.71      -0.71     7.52     16
  29       H     0.43    -1.69     8.60     -92.71      -0.80    -2.48     16
  30       H     0.25    -3.10     7.65      -2.39      -0.02    -3.12     16
  31       H     0.24    -2.30     7.65      -2.39      -0.02    -2.32     16
 Total:         -1.00  -113.29   310.96                 -4.32  -117.61