REAL300010965362.mol2 35                                                        
   1       O    -0.74   -51.80    17.80      19.05       0.34   -51.46     16
   2       C     0.50    31.66     7.88      71.23       0.56    32.23     16
   3       O    -0.75   -52.44    17.94      19.04       0.34   -52.10     16
   4       C    -0.27   -11.31     3.55     -52.93      -0.19   -11.50     16
   5       C    -0.08    -2.62    10.12      30.59       0.31    -2.32     16
   6       C    -0.17    -5.06     7.79     -10.79      -0.08    -5.14     16
   7       H     0.11     3.37     8.14      -2.39      -0.02     3.35     16
   8       C     0.18     3.59     4.41      45.08       0.20     3.79     16
   9       H     0.16     1.53     7.73      -2.39      -0.02     1.51     16
  10       N    -1.09   -17.35     5.73    -168.99      -0.97   -18.31     16
  11       S     2.73    31.54     5.71     -56.49      -0.32    31.22     16
  12       O    -0.96   -15.70    17.28    -128.00      -2.21   -17.91     16
  13       O    -0.95   -13.71    16.79    -128.00      -2.15   -15.86     16
  14       C    -0.67    -4.69     5.95      22.27       0.13    -4.56     16
  15       C     0.05     0.22     9.52      22.27       0.21     0.43     16
  16       C    -0.13    -1.03     8.62      22.27       0.19    -0.84     16
  17       C     0.39     5.82     4.82      22.27       0.11     5.93     16
  18       F    -0.20    -7.89    16.66      44.97       0.75    -7.14     16
  19       F    -0.17    -5.14    15.31      44.97       0.69    -4.45     16
  20       F    -0.16    -4.38    15.31      44.97       0.69    -3.69     16
  21       F    -0.16    -4.67    15.31      44.97       0.69    -3.98     16
  22       F    -0.16    -4.72    15.31      44.97       0.69    -4.04     16
  23       C    -0.13    -1.32     8.62      22.27       0.19    -1.13     16
  24       C     0.05     0.33     9.52      22.27       0.21     0.54     16
  25       C    -0.09    -2.57     7.41      30.69       0.23    -2.35     16
  26       H     0.09     3.39     8.14      -2.38      -0.02     3.38     16
  27       H     0.13     2.98     8.14      -2.39      -0.02     2.96     16
  28       H     0.43     7.34     8.93     -96.74      -0.86     6.48     16
  29       H     0.23    -0.77     7.62      -2.91      -0.02    -0.79     16
  30       H     0.21     1.11     7.40      -2.91      -0.02     1.09     16
  31       H     0.20     1.68     7.40      -2.91      -0.02     1.66     16
  32       H     0.22     0.26     7.62      -2.91      -0.02     0.23     16
  33       H     0.10     2.37     8.14      -2.38      -0.02     2.35     16
  34       H     0.08     2.43     8.12      -2.39      -0.02     2.41     16
 Total:         -1.00  -107.54   334.73                 -0.46  -108.00