REAL300007710186.mol2 37                                                        
   1       O    -0.31    -4.36    18.00      19.05       0.34    -4.01     16
   2       C     0.54     0.67     6.99      71.23       0.50     1.17     16
   3       O    -0.27    -0.08    17.19      19.04       0.33     0.25     16
   4       C    -0.01     0.04     2.73     -11.46      -0.03     0.01     16
   5       H     0.15    -0.28     8.14      -2.39      -0.02    -0.30     16
   6       C    -0.13     2.85     5.15      30.62       0.16     3.01     16
   7       C    -0.09     2.36     6.08      30.67       0.19     2.54     16
   8       C     0.06    -1.28     6.38      86.36       0.55    -0.73     16
   9       N    -0.82     7.41     3.29    -513.06      -1.69     5.72     16
  10       S     2.70    23.19     5.69     -56.49      -0.32    22.87     16
  11       O    -0.95   -20.47    15.99    -128.00      -2.05   -22.52     16
  12       O    -0.88    -4.06    16.00    -128.00      -2.05    -6.11     16
  13       C    -0.66   -15.83     5.97      22.27       0.13   -15.69     16
  14       C    -0.01    -0.16     9.52      22.27       0.21     0.05     16
  15       C    -0.07    -1.90    10.05      22.27       0.22    -1.67     16
  16       C    -0.11    -5.85     8.62      22.27       0.19    -5.66     16
  17       C     0.40    27.82     4.82      22.27       0.11    27.93     16
  18       F    -0.29   -33.71    16.66      44.97       0.75   -32.96     16
  19       F    -0.61   -67.12    15.32      44.97       0.69   -66.43     16
  20       F    -0.57   -57.90    15.30      44.97       0.69   -57.21     16
  21       F    -0.59   -62.04    15.31      44.97       0.69   -61.35     16
  22       F    -0.59   -63.86    15.32      44.97       0.69   -63.17     16
  23       C    -0.06    -3.12     8.10      22.27       0.18    -2.94     16
  24       C     0.10    -0.78     5.47      86.36       0.47    -0.31     16
  25       H     0.17    -5.35     8.14      -2.39      -0.02    -5.37     16
  26       H     0.17    -4.01     8.14      -2.39      -0.02    -4.03     16
  27       H     0.19    -6.26     8.14      -2.39      -0.02    -6.28     16
  28       H     0.10    -2.22     8.14      -2.39      -0.02    -2.24     16
  29       H     0.19    -6.26     8.14      -2.38      -0.02    -6.28     16
  30       H     0.17    -4.21     7.13      -2.39      -0.02    -4.23     16
  31       H     0.25    -1.01     7.62      -2.91      -0.02    -1.03     16
  32       H     0.22     2.67     8.06      -2.91      -0.02     2.64     16
  33       H     0.12     7.72     7.40      -2.91      -0.02     7.70     16
  34       H     0.13     7.69     6.96      -2.91      -0.02     7.67     16
  35       H     0.13     0.17     7.12      -2.39      -0.02     0.15     16
  36       H     0.23    -4.68     7.71      -2.38      -0.02    -4.69     16
 Total:         -1.00  -294.22   334.79                  0.70  -293.52