REAL300007653633.mol2 34                                                        
   1       O    -0.27     3.02    17.06      19.06       0.33     3.35     16
   2       C     0.54    -5.84     6.43      71.24       0.46    -5.38     16
   3       O    -0.26     0.74    15.21      26.13       0.40     1.14     16
   4       C     0.22    -3.30     1.28       3.38       0.00    -3.29     16
   5       N    -0.93     6.05     5.38    -153.08      -0.82     5.23     16
   6       S     2.69    29.78     5.72     -56.49      -0.32    29.46     16
   7       O    -0.93   -22.71    17.28    -128.00      -2.21   -24.92     16
   8       O    -0.88    -7.34    13.75    -118.90      -1.63    -8.98     16
   9       C    -0.66   -15.45     4.38      22.27       0.10   -15.35     16
  10       C    -0.03    -0.38     7.24      22.27       0.16    -0.22     16
  11       C    -0.06    -1.31    10.05      22.27       0.22    -1.09     16
  12       C    -0.09    -4.58     8.62      22.27       0.19    -4.39     16
  13       C     0.40    26.83     4.82      22.27       0.11    26.94     16
  14       F    -0.28   -32.21    16.66      44.97       0.75   -31.46     16
  15       F    -0.60   -64.57    15.32      44.97       0.69   -63.88     16
  16       F    -0.59   -58.95    15.30      44.97       0.69   -58.26     16
  17       F    -0.57   -57.71    15.31      44.97       0.69   -57.02     16
  18       F    -0.60   -64.59    15.32      44.97       0.69   -63.90     16
  19       C    -0.05    -2.36     8.10      22.27       0.18    -2.18     16
  20       C    -0.13     1.89     6.77      31.12       0.21     2.10     16
  21       C    -0.10     2.01     7.99      31.12       0.25     2.26     16
  22       C    -0.08     2.14     7.34      31.12       0.23     2.37     16
  23       H     0.48    -6.53     8.76     -96.74      -0.85    -7.38     16
  24       H     0.24    -1.06     7.62      -2.91      -0.02    -1.09     16
  25       H     0.23     1.69     8.06      -2.91      -0.02     1.67     16
  26       H     0.13     7.56     7.40      -2.91      -0.02     7.54     16
  27       H     0.13     7.82     6.96      -2.91      -0.02     7.80     16
  28       H     0.11    -0.54     4.11      -2.39      -0.01    -0.55     16
  29       H     0.22    -5.55     7.44      -2.39      -0.02    -5.57     16
  30       H     0.12    -1.50     8.14      -2.39      -0.02    -1.52     16
  31       H     0.21    -5.34     8.14      -2.39      -0.02    -5.36     16
  32       H     0.21    -7.01     8.09      -2.39      -0.02    -7.03     16
  33       H     0.17    -5.18     8.09      -2.39      -0.02    -5.20     16
 Total:         -1.00  -284.47   308.14                  0.31  -284.17