REAL300007653634.mol2 34                                                        
   1       O    -0.29     1.55    17.06      19.05       0.33     1.88     16
   2       C     0.54    -4.96     6.43      71.24       0.46    -4.50     16
   3       O    -0.25     0.81    15.21      26.13       0.40     1.21     16
   4       C     0.22    -3.91     1.28       3.38       0.00    -3.91     16
   5       N    -0.91    15.17     5.38    -153.08      -0.82    14.34     16
   6       S     2.70     0.26     5.72     -56.49      -0.32    -0.06     16
   7       O    -0.89    -3.90    17.28    -128.00      -2.21    -6.12     16
   8       O    -0.90    -4.65    13.75    -118.90      -1.64    -6.28     16
   9       C    -0.72   -10.71     4.38      22.27       0.10   -10.61     16
  10       C     0.03     0.74     7.24      22.27       0.16     0.90     16
  11       C    -0.17    -8.35     8.62      22.27       0.19    -8.16     16
  12       C     0.48    32.53     4.82      22.27       0.11    32.64     16
  13       F    -0.27   -31.59    16.66      44.97       0.75   -30.84     16
  14       F    -0.59   -60.15    15.31      44.97       0.69   -59.46     16
  15       F    -0.60   -63.77    15.32      44.97       0.69   -63.08     16
  16       F    -0.60   -64.66    15.32      44.97       0.69   -63.98     16
  17       F    -0.56   -56.90    15.31      44.97       0.69   -56.21     16
  18       C    -0.18    -9.03     8.62      22.27       0.19    -8.84     16
  19       C     0.06     1.30     9.52      22.27       0.21     1.51     16
  20       C    -0.14     1.77     6.77      31.12       0.21     1.98     16
  21       C    -0.09     2.15     7.99      31.12       0.25     2.39     16
  22       C    -0.08     2.33     7.34      31.12       0.23     2.56     16
  23       H     0.49   -13.62     8.76     -96.74      -0.85   -14.47     16
  24       H     0.22     2.01     7.62      -2.91      -0.02     1.99     16
  25       H     0.13     7.73     7.40      -2.91      -0.02     7.71     16
  26       H     0.13     7.88     7.40      -2.91      -0.02     7.86     16
  27       H     0.23     2.22     7.61      -2.91      -0.02     2.20     16
  28       H     0.11    -0.27     4.11      -2.39      -0.01    -0.28     16
  29       H     0.19    -2.78     7.44      -2.39      -0.02    -2.80     16
  30       H     0.15    -3.78     8.14      -2.39      -0.02    -3.80     16
  31       H     0.20    -4.83     8.14      -2.39      -0.02    -4.85     16
  32       H     0.19    -6.31     8.09      -2.39      -0.02    -6.33     16
  33       H     0.19    -7.11     8.09      -2.39      -0.02    -7.13     16
 Total:         -1.00  -282.83   308.14                  0.31  -282.53