REAL300007597156.mol2 30                                                        
   1       O    -0.11     2.87    16.88      19.05       0.32     3.19     15
   2       C     0.53   -18.67     8.05      71.23       0.57   -18.09     15
   3       O    -0.11     3.30    18.00      19.04       0.34     3.64     15
   4       C     0.08    -3.47     5.92      29.85       0.18    -3.29     15
   5       C     0.03    -0.72     5.51      86.38       0.48    -0.24     15
   6       N    -1.07    20.72     6.00    -187.48      -1.12    19.59     15
   7       S     2.77     4.22     5.74     -56.49      -0.32     3.89     15
   8       O    -0.95    -8.22    17.28    -128.00      -2.21   -10.43     15
   9       O    -0.94    -4.59    16.76    -128.00      -2.15    -6.74     15
  10       C    -0.71   -13.98     5.95      22.27       0.13   -13.85     15
  11       C     0.04     1.16     9.52      22.27       0.21     1.37     15
  12       C    -0.18   -10.22     8.62      22.27       0.19   -10.03     15
  13       C     0.48    35.92     4.82      22.27       0.11    36.02     15
  14       F    -0.36   -43.77    16.67      44.97       0.75   -43.02     15
  15       F    -0.58   -63.66    15.31      44.97       0.69   -62.98     15
  16       F    -0.58   -64.89    15.31      44.97       0.69   -64.20     15
  17       F    -0.59   -67.12    15.31      44.97       0.69   -66.43     15
  18       F    -0.57   -61.53    15.31      44.97       0.69   -60.84     15
  19       C    -0.19   -11.00     8.62      22.27       0.19   -10.81     15
  20       C     0.04     1.33     9.52      22.27       0.21     1.54     15
  21       H     0.27   -14.33     8.14      -2.39      -0.02   -14.35     15
  22       H     0.28   -15.09     8.14      -2.39      -0.02   -15.11     15
  23       H     0.15    -4.30     7.71      -2.38      -0.02    -4.32     15
  24       H     0.12    -2.86     8.10      -2.38      -0.02    -2.88     15
  25       H     0.45   -12.84     8.65     -96.74      -0.84   -13.68     15
  26       H     0.23     2.61     7.62      -2.91      -0.02     2.58     15
  27       H     0.13     8.18     7.40      -2.91      -0.02     8.15     15
  28       H     0.12     8.23     7.40      -2.91      -0.02     8.21     15
  29       H     0.22     3.85     7.61      -2.91      -0.02     3.82     15
 Total:         -1.00  -328.91   295.90                 -0.36  -329.28