REAL300000674682.mol2 30                                                        
   1       O    -0.70    -2.69    16.76      19.05       0.32    -2.37     15
   2       C     0.47    -2.58     8.07      71.24       0.58    -2.01     15
   3       O    -0.67    -8.82    18.00      19.05       0.34    -8.47     15
   4       C    -0.40    16.00     6.50      71.24       0.46    16.47     15
   5       S     1.46   -68.16    20.01     -56.49      -1.13   -69.29     15
   6       C    -0.38    19.43     6.43      71.24       0.46    19.89     15
   7       C     0.52   -12.28     7.69      87.66       0.67   -11.61     15
   8       O    -0.53     8.17    13.32      -3.04      -0.04     8.13     15
   9       N    -0.61     3.95     5.34    -303.51      -1.62     2.33     15
  10       C     0.18     3.57     6.29      38.15       0.24     3.81     15
  11       C    -0.10    -1.70     8.70      22.39       0.19    -1.51     15
  12       C    -0.05    -1.50    10.04      22.25       0.22    -1.28     15
  13       C    -0.18   -10.29     8.62      22.29       0.19   -10.10     15
  14       C     0.43    31.16     4.82      22.25       0.11    31.26     15
  15       F    -0.30   -35.71    16.66      44.97       0.75   -34.96     15
  16       F    -0.60   -66.83    15.31      44.97       0.69   -66.14     15
  17       F    -0.59   -62.78    15.30      44.97       0.69   -62.09     15
  18       F    -0.60   -67.59    15.31      44.97       0.69   -66.90     15
  19       F    -0.58   -62.08    15.32      44.97       0.69   -61.39     15
  20       C    -0.17    -8.33     8.54      22.39       0.19    -8.14     15
  21       H     0.32   -16.56     8.14      -2.39      -0.02   -16.58     15
  22       H     0.31   -15.39     8.14      -2.39      -0.02   -15.41     15
  23       H     0.34   -22.16     8.14      -2.39      -0.02   -22.18     15
  24       H     0.33   -19.76     8.14      -2.39      -0.02   -19.78     15
  25       H     0.45    -5.99     8.82     -92.71      -0.82    -6.81     15
  26       H     0.23     0.14     6.24      -2.91      -0.02     0.12     15
  27       H     0.21     3.73     8.06      -2.91      -0.02     3.70     15
  28       H     0.11     7.35     7.39      -2.91      -0.02     7.33     15
  29       H     0.13     7.26     7.39      -2.91      -0.02     7.24     15
 Total:         -1.00  -390.45   297.49                  3.71  -386.74