REAL300007574079.mol2 30                                                        
   1       C    -0.03     0.79    10.67     127.77       1.36     2.15     15
   2       N    -0.68    10.35     2.67    -543.21      -1.45     8.90     15
   3       C     0.14    -2.17     5.88      85.63       0.50    -1.67     15
   4       C     0.55    -3.65     8.12      71.24       0.58    -3.07     15
   5       O    -0.34     1.04    17.32      19.06       0.33     1.37     15
   6       O    -0.33    -0.63    18.00      19.05       0.34    -0.28     15
   7       S     2.66     6.61     5.65     -56.49      -0.32     6.29     15
   8       O    -0.91   -13.75    16.25    -128.00      -2.08   -15.84     15
   9       O    -0.85     0.63    15.89    -128.00      -2.03    -1.40     15
  10       C    -0.65   -11.42     5.97      22.27       0.13   -11.29     15
  11       C     0.00    -0.04     9.52      22.27       0.21     0.18     15
  12       C    -0.07    -1.54    10.05      22.27       0.22    -1.32     15
  13       C    -0.10    -4.83     8.62      22.27       0.19    -4.63     15
  14       C     0.39    25.74     4.82      22.27       0.11    25.85     15
  15       F    -0.28   -31.88    16.67      44.97       0.75   -31.13     15
  16       F    -0.60   -63.87    15.31      44.97       0.69   -63.19     15
  17       F    -0.58   -56.63    15.31      44.97       0.69   -55.94     15
  18       F    -0.58   -59.40    15.32      44.97       0.69   -58.72     15
  19       F    -0.60   -62.06    15.31      44.97       0.69   -61.37     15
  20       C    -0.06    -2.62     8.10      22.27       0.18    -2.44     15
  21       H     0.24    -8.90     8.14      -2.39      -0.02    -8.92     15
  22       H     0.17    -4.92     7.02      -2.38      -0.02    -4.94     15
  23       H     0.20    -7.19     8.07      -2.39      -0.02    -7.20     15
  24       H     0.22    -2.30     7.61      -2.39      -0.02    -2.31     15
  25       H     0.34   -11.03     8.11      -2.38      -0.02   -11.05     15
  26       H     0.25    -2.45     7.62      -2.91      -0.02    -2.47     15
  27       H     0.22     1.86     8.06      -2.91      -0.02     1.84     15
  28       H     0.12     7.31     7.40      -2.91      -0.02     7.29     15
  29       H     0.15     7.36     6.96      -2.91      -0.02     7.34     15
 Total:         -1.00  -289.58   294.44                  1.60  -287.98