REAL300017445864.mol2 35                                                        
   1       O    -0.29     0.99    17.06      19.05       0.33     1.31     16
   2       C     0.53    -4.50     6.43      71.24       0.46    -4.04     16
   3       O    -0.24     0.88    15.21      26.13       0.40     1.27     16
   4       C     0.22    -3.75     1.28       3.38       0.00    -3.74     16
   5       N    -0.89    16.18     5.38    -153.08      -0.82    15.35     16
   6       S     2.70    -3.36     5.72     -56.49      -0.32    -3.68     16
   7       O    -0.88    -2.04    17.28    -128.00      -2.21    -4.25     16
   8       O    -0.90    -3.79    13.75    -118.90      -1.64    -5.43     16
   9       C    -0.72   -10.27     4.38      22.27       0.10   -10.18     16
  10       C     0.03     0.70     7.24      22.27       0.16     0.86     16
  11       C    -0.17    -8.62     8.62      22.27       0.19    -8.43     16
  12       C     0.48    32.72     4.82      22.27       0.11    32.83     16
  13       F    -0.27   -31.86    16.66      44.97       0.75   -31.11     16
  14       F    -0.58   -60.11    15.31      44.97       0.69   -59.42     16
  15       F    -0.60   -64.26    15.32      44.97       0.69   -63.57     16
  16       F    -0.60   -64.37    15.32      44.97       0.69   -63.68     16
  17       F    -0.57   -58.11    15.31      44.97       0.69   -57.42     16
  18       C    -0.18    -8.93     8.62      22.27       0.19    -8.74     16
  19       C     0.06     1.29     9.52      22.27       0.21     1.50     16
  20       C    -0.15     1.33     6.60      31.12       0.21     1.53     16
  21       C     0.13    -2.43     5.12      31.12       0.16    -2.27     16
  22       O    -0.53     5.88    13.67    -148.98      -2.04     3.84     16
  23       C    -0.11     3.05     7.17      31.12       0.22     3.27     16
  24       H     0.49   -15.12     8.76     -96.74      -0.85   -15.97     16
  25       H     0.22     2.15     7.62      -2.91      -0.02     2.13     16
  26       H     0.13     7.77     7.40      -2.91      -0.02     7.75     16
  27       H     0.13     7.90     7.40      -2.91      -0.02     7.88     16
  28       H     0.23     1.82     7.61      -2.91      -0.02     1.79     16
  29       H     0.13    -0.06     4.11      -2.39      -0.01    -0.07     16
  30       H     0.18    -1.40     7.44      -2.39      -0.02    -1.42     16
  31       H     0.20    -5.15     8.14      -2.39      -0.02    -5.17     16
  32       H     0.43    -8.94     9.12     -74.05      -0.68    -9.62     16
  33       H     0.19    -5.60     8.09      -2.39      -0.02    -5.62     16
  34       H     0.21    -8.26     8.09      -2.39      -0.02    -8.28     16
 Total:         -1.00  -288.29   319.58                 -2.49  -290.78