REAL300017588443.mol2 35                                                        
   1       O    -0.13     3.84    17.43      19.05       0.33     4.18     16
   2       C     0.52   -16.95     6.44      71.23       0.46   -16.49     16
   3       O    -0.11     2.93    15.76      19.04       0.30     3.23     16
   4       C     0.08    -2.73     3.61     -10.24      -0.04    -2.77     16
   5       H     0.33   -16.18     8.14      -2.38      -0.02   -16.20     16
   6       C     0.02    -0.60     6.75      72.66       0.49    -0.11     16
   7       O    -0.34     4.50    11.52    -148.98      -1.72     2.78     16
   8       C     0.00    -0.04     7.51      72.38       0.54     0.50     16
   9       C     0.08    -1.69     3.45      46.00       0.16    -1.53     16
  10       H     0.22    -5.94     7.58      -2.39      -0.02    -5.96     16
  11       N    -1.09    16.28     3.75    -165.20      -0.62    15.66     16
  12       S     2.76     5.91     5.72     -56.49      -0.32     5.58     16
  13       O    -0.95    -8.73    17.28    -128.00      -2.21   -10.95     16
  14       O    -0.92    -2.90    16.66    -128.00      -2.13    -5.04     16
  15       C    -0.72   -13.83     5.95      22.27       0.13   -13.70     16
  16       C     0.04     1.09     9.52      22.27       0.21     1.30     16
  17       C    -0.18    -9.63     8.62      22.27       0.19    -9.44     16
  18       C     0.49    36.14     4.82      22.27       0.11    36.24     16
  19       F    -0.34   -42.00    16.66      44.97       0.75   -41.25     16
  20       F    -0.59   -65.00    15.31      44.97       0.69   -64.31     16
  21       F    -0.58   -64.22    15.31      44.97       0.69   -63.54     16
  22       F    -0.59   -66.82    15.31      44.97       0.69   -66.13     16
  23       F    -0.57   -61.97    15.31      44.97       0.69   -61.28     16
  24       C    -0.19   -10.81     8.62      22.27       0.19   -10.62     16
  25       C     0.04     1.26     9.52      22.27       0.21     1.47     16
  26       H     0.22    -7.90     8.14      -2.38      -0.02    -7.92     16
  27       H     0.14    -4.30     8.04      -2.38      -0.02    -4.32     16
  28       H     0.13    -0.60     8.14      -2.39      -0.02    -0.62     16
  29       H     0.09    -0.37     7.93      -2.38      -0.02    -0.38     16
  30       H     0.44    -9.83     7.52     -96.74      -0.73   -10.56     16
  31       H     0.24     2.02     7.62      -2.91      -0.02     1.99     16
  32       H     0.14     8.32     7.40      -2.91      -0.02     8.30     16
  33       H     0.12     8.29     7.40      -2.91      -0.02     8.27     16
  34       H     0.21     3.91     7.62      -2.91      -0.02     3.88     16
 Total:         -1.00  -318.58   326.37                 -1.14  -319.71