REAL300018723300.mol2 32                                                        
   1       O    -0.11     0.15    17.40      25.17       0.44     0.59     16
   2       C     0.53    -7.17     8.13      71.23       0.58    -6.59     16
   3       O    -0.16     2.06    18.00      19.04       0.34     2.40     16
   4       C     0.24    -4.52     6.50      71.23       0.46    -4.06     16
   5       O    -0.40    -2.47     9.41    -120.79      -1.14    -3.61     16
   6       C     0.11     1.96     6.50      71.24       0.46     2.43     16
   7       C     0.49    23.17     7.89      87.66       0.69    23.86     16
   8       O    -0.66   -38.38    16.26      16.81       0.27   -38.11     16
   9       N    -1.11   -64.25    11.13    -173.54      -1.93   -66.18     16
  10       S     2.67   184.21     4.87     -56.49      -0.28   183.93     16
  11       O    -1.03   -74.72    17.22    -127.66      -2.20   -76.92     16
  12       O    -1.03   -74.61    17.23    -127.63      -2.20   -76.81     16
  13       C    -0.66   -49.28     5.97      22.27       0.13   -49.15     16
  14       C     0.03     2.14     9.52      22.27       0.21     2.35     16
  15       C    -0.17   -16.22     8.62      22.27       0.19   -16.03     16
  16       C     0.47    50.99     4.82      22.27       0.11    51.10     16
  17       F    -0.28   -39.25    16.66      44.97       0.75   -38.50     16
  18       F    -0.59   -79.99    15.32      44.97       0.69   -79.30     16
  19       F    -0.59   -79.58    15.31      44.97       0.69   -78.90     16
  20       F    -0.60   -81.13    15.31      44.97       0.69   -80.44     16
  21       F    -0.57   -76.89    15.31      44.97       0.69   -76.20     16
  22       C    -0.17   -16.44     8.62      22.27       0.19   -16.25     16
  23       C     0.03     2.02     9.52      22.27       0.21     2.23     16
  24       H     0.29    -9.11     8.14      -2.39      -0.02    -9.13     16
  25       H     0.29    -8.93     8.14      -2.39      -0.02    -8.95     16
  26       H     0.16     1.34     8.14      -2.39      -0.02     1.32     16
  27       H     0.16     1.34     8.14      -2.39      -0.02     1.32     16
  28       H     0.20    13.23     7.62      -2.92      -0.02    13.21     16
  29       H     0.14    13.61     7.40      -2.91      -0.02    13.58     16
  30       H     0.14    13.71     7.40      -2.91      -0.02    13.68     16
  31       H     0.20    13.21     7.61      -2.91      -0.02    13.19     16
 Total:         -2.00  -399.80   328.13                 -0.10  -399.90