REAL300017475224.mol2 34                                                        
   1       O    -0.23     1.42    14.51      26.30       0.38     1.81     16
   2       C     0.53    -6.54     6.98      71.23       0.50    -6.04     16
   3       O    -0.27     2.40    17.15      19.06       0.33     2.73     16
   4       C     0.24    -4.53     1.24       3.38       0.00    -4.52     16
   5       N    -0.88    17.88     5.35    -153.09      -0.82    17.06     16
   6       S     2.70    -9.87     5.67     -56.49      -0.32   -10.19     16
   7       O    -0.88    -0.52    17.52    -128.00      -2.24    -2.76     16
   8       O    -0.89    -1.00    13.52    -118.63      -1.60    -2.60     16
   9       C    -0.73    -8.59     4.11      22.27       0.09    -8.50     16
  10       C     0.03     0.68     7.46      22.27       0.17     0.84     16
  11       C    -0.17    -8.59     8.62      22.27       0.19    -8.40     16
  12       C     0.48    32.02     4.82      22.27       0.11    32.13     16
  13       F    -0.27   -31.63    16.66      44.97       0.75   -30.88     16
  14       F    -0.57   -57.57    15.31      44.97       0.69   -56.88     16
  15       F    -0.60   -64.09    15.32      44.97       0.69   -63.40     16
  16       F    -0.60   -63.56    15.32      44.97       0.69   -62.87     16
  17       F    -0.59   -59.96    15.31      44.97       0.69   -59.27     16
  18       C    -0.18    -8.49     8.62      22.27       0.19    -8.29     16
  19       C     0.06     1.13     9.53      22.27       0.21     1.34     16
  20       C    -0.10     2.84     7.21      31.12       0.22     3.07     16
  21       C     0.11    -1.69     5.58      31.12       0.17    -1.51     16
  22       H     0.21    -4.62     8.14      -2.39      -0.02    -4.64     16
  23       F    -0.17     0.51    17.41      44.97       0.78     1.29     16
  24       C    -0.19     1.90     7.01      31.12       0.22     2.12     16
  25       H     0.49   -16.11     8.80     -96.75      -0.85   -16.96     16
  26       H     0.22     1.80     7.46      -2.91      -0.02     1.78     16
  27       H     0.13     7.65     7.40      -2.91      -0.02     7.63     16
  28       H     0.13     7.59     7.40      -2.91      -0.02     7.57     16
  29       H     0.24     0.89     7.82      -2.91      -0.02     0.87     16
  30       H     0.19    -5.63     7.74      -2.39      -0.02    -5.64     16
  31       H     0.22    -8.57     8.10      -2.39      -0.02    -8.59     16
  32       H     0.13    -0.21     3.29      -2.39      -0.01    -0.22     16
  33       H     0.19    -2.34     7.86      -2.39      -0.02    -2.36     16
 Total:         -1.00  -285.36   314.23                  1.06  -284.29