REAL300032576583.mol2 35                                                        
   1       C    -0.16    -3.18     9.48      71.98       0.68    -2.50     16
   2       C     0.11     2.32     2.88      44.99       0.13     2.45     16
   3       C     0.12     1.00     5.14      86.38       0.44     1.44     16
   4       N    -0.58    -3.71     2.77    -846.74      -2.35    -6.06     16
   5       C     0.03    -0.15    10.24     127.77       1.31     1.16     16
   6       C     0.45     6.44     6.29      87.66       0.55     6.99     16
   7       O    -0.50   -12.87     9.78      -3.06      -0.03   -12.90     16
   8       C     0.37     3.33     4.02      71.24       0.29     3.62     16
   9       F    -0.24   -10.77    16.66      44.97       0.75   -10.02     16
  10       F    -0.10    -3.73    13.71      44.97       0.62    -3.11     16
  11       F    -0.20    -5.40    15.88      44.97       0.71    -4.69     16
  12       F    -0.22    -7.20    15.87      44.97       0.71    -6.49     16
  13       F    -0.13    -4.04    13.71      44.97       0.62    -3.42     16
  14       N    -0.71   -23.52     4.48    -445.72      -2.00   -25.52     16
  15       C     0.61    28.98     7.77      86.69       0.67    29.65     16
  16       O    -0.55   -29.94    15.38      13.49       0.21   -29.74     16
  17       C    -0.08    -4.64     6.69      41.98       0.28    -4.36     16
  18       N    -0.47   -22.86    10.83     -77.93      -0.84   -23.70     16
  19       S     0.49    23.46    24.20     -56.49      -1.37    22.09     16
  20       N    -0.64   -38.88    12.18    -177.22      -2.16   -41.03     16
  21       C     0.36    23.46     8.19      85.12       0.70    24.15     16
  22       O    -0.73   -55.58    17.64     -73.74      -1.30   -56.88     16
  23       H     0.03     0.83     8.14      -2.39      -0.02     0.81     16
  24       H     0.06     1.20     8.14      -2.39      -0.02     1.18     16
  25       H     0.11     1.20     8.14      -2.39      -0.02     1.18     16
  26       H     0.09     1.95     7.58      -2.39      -0.02     1.93     16
  27       H     0.16    -0.28     8.07      -2.39      -0.02    -0.30     16
  28       H     0.09     1.05     7.42      -2.39      -0.02     1.03     16
  29       H     0.12    -1.42     8.14      -2.39      -0.02    -1.44     16
  30       H     0.09    -0.74     6.44      -2.39      -0.02    -0.76     16
  31       H     0.10    -0.40     8.07      -2.39      -0.02    -0.42     16
  32       H     0.22     0.30     6.91      -2.39      -0.02     0.28     16
  33       H     0.26    -1.61     7.61      -2.39      -0.02    -1.63     16
  34       H     0.41    14.00     5.31     -92.71      -0.49    13.50     16
 Total:         -1.00  -121.41   323.78                 -2.07  -123.48