REAL300017941732.mol2 34                                                        
   1       C    -0.18     6.67     8.43      71.98       0.61     7.27     16
   2       C     0.26    -6.69     1.04     -11.54      -0.01    -6.70     16
   3       C    -0.22     6.33     8.42      71.98       0.61     6.93     16
   4       O    -0.14     2.04    10.55     -18.98      -0.20     1.84     16
   5       N    -0.91    13.55     6.11      37.02       0.23    13.77     16
   6       S     2.78     8.26     6.00     -56.49      -0.34     7.92     16
   7       O    -0.90    -4.70    17.28    -128.00      -2.21    -6.91     16
   8       O    -0.93    -8.20    17.29    -127.31      -2.20   -10.40     16
   9       C    -0.71   -15.36     5.97      22.27       0.13   -15.23     16
  10       C     0.04     1.34     9.52      22.27       0.21     1.55     16
  11       C    -0.19   -11.03     8.62      22.27       0.19   -10.83     16
  12       C     0.47    35.94     4.82      22.27       0.11    36.05     16
  13       F    -0.28   -33.76    16.67      44.97       0.75   -33.01     16
  14       F    -0.58   -63.60    15.30      44.97       0.69   -62.91     16
  15       F    -0.60   -67.91    15.32      44.97       0.69   -67.22     16
  16       F    -0.60   -66.88    15.32      44.97       0.69   -66.19     16
  17       F    -0.59   -64.68    15.31      44.97       0.69   -63.99     16
  18       C    -0.19   -10.71     8.62      22.27       0.19   -10.52     16
  19       C     0.05     1.36     9.52      22.27       0.21     1.57     16
  20       C     0.53    -9.77     6.80      71.24       0.48    -9.29     16
  21       O    -0.18     3.34    17.67      19.04       0.34     3.68     16
  22       O    -0.15     1.25    17.40      25.18       0.44     1.68     16
  23       H     0.17    -7.11     8.09      -2.39      -0.02    -7.13     16
  24       H     0.15    -5.23     8.14      -2.39      -0.02    -5.25     16
  25       H     0.23    -9.81     6.96      -2.39      -0.02    -9.83     16
  26       H     0.22    -7.94     6.96      -2.39      -0.02    -7.96     16
  27       H     0.12    -2.55     8.14      -2.39      -0.02    -2.57     16
  28       H     0.17    -6.01     8.09      -2.39      -0.02    -6.03     16
  29       H     0.46   -12.97     6.55     -96.75      -0.63   -13.61     16
  30       H     0.22     4.08     7.62      -2.91      -0.02     4.06     16
  31       H     0.12     8.32     7.40      -2.91      -0.02     8.30     16
  32       H     0.13     8.52     7.40      -2.91      -0.02     8.50     16
  33       H     0.23     3.25     7.62      -2.91      -0.02     3.22     16
 Total:         -1.00  -310.70   324.95                  1.45  -309.25