REAL300007748033.mol2 37                                                        
   1       C    -0.24     2.82     7.76      71.98       0.56     3.38     16
   2       C     0.13    -3.11     3.40      45.34       0.15    -2.96     16
   3       C     0.07    -2.34     3.35     -10.35      -0.03    -2.37     16
   4       C     0.53   -12.75     5.17      71.24       0.37   -12.38     16
   5       O    -0.20     2.67    15.79      19.07       0.30     2.97     16
   6       O    -0.19     3.96    18.00      19.05       0.34     4.30     16
   7       C    -0.17     4.72     6.42      31.99       0.21     4.92     16
   8       C     0.09    -2.01     6.98      86.86       0.61    -1.40     16
   9       N    -0.96    13.59     3.41    -484.26      -1.65    11.94     16
  10       S     2.76     9.67     5.49     -56.49      -0.31     9.36     16
  11       O    -0.93    -5.54    16.50    -128.00      -2.11    -7.65     16
  12       O    -0.93    -7.62    16.88    -128.00      -2.16    -9.78     16
  13       C    -0.72   -15.48     5.97      22.27       0.13   -15.34     16
  14       C     0.04     1.29     9.52      22.27       0.21     1.50     16
  15       C    -0.18   -10.62     8.62      22.27       0.19   -10.43     16
  16       C     0.47    35.69     4.82      22.27       0.11    35.80     16
  17       F    -0.28   -33.75    16.66      44.97       0.75   -33.00     16
  18       F    -0.59   -64.05    15.31      44.97       0.69   -63.37     16
  19       F    -0.60   -67.04    15.32      44.97       0.69   -66.35     16
  20       F    -0.61   -68.23    15.32      44.97       0.69   -67.55     16
  21       F    -0.57   -62.63    15.31      44.97       0.69   -61.94     16
  22       C    -0.18   -10.50     8.62      22.27       0.19   -10.30     16
  23       C     0.03     1.04     8.55      22.27       0.19     1.23     16
  24       H     0.10    -0.61     7.61      -2.39      -0.02    -0.63     16
  25       H     0.13    -2.17     6.93      -2.39      -0.02    -2.19     16
  26       H     0.10    -0.61     5.30      -2.39      -0.01    -0.62     16
  27       H     0.26    -8.73     8.14      -2.39      -0.02    -8.75     16
  28       H     0.33   -16.13     8.14      -2.39      -0.02   -16.15     16
  29       H     0.19    -6.94     8.14      -2.39      -0.02    -6.96     16
  30       H     0.11    -2.39     7.24      -2.39      -0.02    -2.41     16
  31       H     0.16    -4.95     8.14      -2.38      -0.02    -4.97     16
  32       H     0.13    -2.27     8.14      -2.39      -0.02    -2.29     16
  33       H     0.22     3.68     7.62      -2.91      -0.02     3.66     16
  34       H     0.13     8.37     7.40      -2.91      -0.02     8.35     16
  35       H     0.13     8.39     7.40      -2.91      -0.02     8.37     16
  36       H     0.22     3.41     6.12      -2.91      -0.02     3.39     16
 Total:         -1.00  -311.18   329.49                  0.55  -310.63