REAL300017239910.mol2 35                                                        
   1       O    -0.73   -51.20    17.18      19.05       0.33   -50.87     16
   2       C     0.50    31.53     7.86      71.23       0.56    32.09     16
   3       O    -0.74   -51.93    17.78      19.04       0.34   -51.59     16
   4       C    -0.25   -10.35     2.91     -52.02      -0.15   -10.51     16
   5       C    -0.09    -2.69     9.77      30.60       0.30    -2.39     16
   6       C    -0.16    -4.90     6.84      -9.89      -0.07    -4.97     16
   7       H     0.10     3.47     8.14      -2.38      -0.02     3.45     16
   8       C     0.16     2.91     7.08      86.54       0.61     3.52     16
   9       N    -1.02   -23.28     3.80    -497.04      -1.89   -25.17     16
  10       S     2.72    54.75     6.03     -56.49      -0.34    54.40     16
  11       O    -0.97   -27.94    16.54    -128.00      -2.12   -30.06     16
  12       O    -0.95   -21.39    16.69    -128.00      -2.14   -23.53     16
  13       C    -0.66    -6.18     5.97      22.27       0.13    -6.04     16
  14       C     0.06     0.25     9.52      22.27       0.21     0.46     16
  15       C    -0.12    -0.80     8.62      22.27       0.19    -0.60     16
  16       C     0.39     5.09     4.82      22.27       0.11     5.20     16
  17       F    -0.20    -7.28    16.66      44.97       0.75    -6.53     16
  18       F    -0.16    -4.33    15.31      44.97       0.69    -3.64     16
  19       F    -0.16    -4.23    15.32      44.97       0.69    -3.54     16
  20       F    -0.17    -4.51    15.32      44.97       0.69    -3.82     16
  21       F    -0.16    -4.03    15.31      44.97       0.69    -3.34     16
  22       C    -0.13    -1.12     8.62      22.27       0.19    -0.93     16
  23       C     0.05     0.39     9.52      22.27       0.21     0.60     16
  24       C     0.17     5.45     6.81      86.07       0.59     6.04     16
  25       H     0.08     2.89     8.14      -2.39      -0.02     2.87     16
  26       H     0.14     2.82     8.14      -2.38      -0.02     2.80     16
  27       H     0.11     1.64     7.73      -2.39      -0.02     1.62     16
  28       H     0.13     1.13     8.14      -2.39      -0.02     1.11     16
  29       H     0.23    -0.48     7.62      -2.91      -0.02    -0.50     16
  30       H     0.21     0.68     7.40      -2.91      -0.02     0.66     16
  31       H     0.21     1.40     7.40      -2.91      -0.02     1.38     16
  32       H     0.21     1.03     7.62      -2.91      -0.02     1.00     16
  33       H     0.11     2.43     8.10      -2.39      -0.02     2.41     16
  34       H     0.07     2.85     7.03      -2.38      -0.02     2.83     16
 Total:         -1.00  -105.93   329.74                  0.35  -105.58