REAL300007640941.mol2 30                                                        
   1       C    -0.15    -4.89     9.50      71.98       0.68    -4.21     15
   2       C     0.09     3.41     3.25      44.25       0.14     3.55     15
   3       H     0.11     3.18     7.21      -2.39      -0.02     3.16     15
   4       N    -1.09   -31.93     5.33    -172.51      -0.92   -32.85     15
   5       S     2.72    58.32     5.65     -56.49      -0.32    58.00     15
   6       O    -0.96   -22.91    17.28    -128.00      -2.21   -25.12     15
   7       O    -0.95   -21.93    16.55    -128.00      -2.12   -24.05     15
   8       C    -0.68   -11.48     5.82      22.27       0.13   -11.35     15
   9       C     0.05     0.66     8.88      22.27       0.20     0.86     15
  10       C    -0.13    -2.07     8.62      22.27       0.19    -1.88     15
  11       C     0.38     8.23     4.82      22.27       0.11     8.34     15
  12       F    -0.21    -8.54    16.66      44.97       0.75    -7.79     15
  13       F    -0.16    -5.64    15.31      44.97       0.69    -4.95     15
  14       F    -0.16    -4.99    15.31      44.97       0.69    -4.30     15
  15       F    -0.16    -5.00    15.31      44.97       0.69    -4.31     15
  16       F    -0.16    -5.62    15.32      44.97       0.69    -4.93     15
  17       C    -0.13    -2.06     8.62      22.27       0.19    -1.87     15
  18       C     0.05     0.77     9.52      22.27       0.21     0.99     15
  19       C     0.47    25.83     7.36      71.24       0.52    26.35     15
  20       O    -0.72   -43.28    16.86      19.03       0.32   -42.96     15
  21       O    -0.74   -46.56    18.00      19.07       0.34   -46.21     15
  22       H     0.05     1.72     8.14      -2.39      -0.02     1.70     15
  23       H     0.06     2.19     8.14      -2.39      -0.02     2.17     15
  24       H     0.09     2.41     7.64      -2.39      -0.02     2.40     15
  25       H     0.43    13.21     8.11     -96.74      -0.78    12.43     15
  26       H     0.22     1.84     7.62      -2.91      -0.02     1.82     15
  27       H     0.21     2.71     7.40      -2.91      -0.02     2.68     15
  28       H     0.21     2.66     7.40      -2.91      -0.02     2.63     15
  29       H     0.22     1.88     7.62      -2.91      -0.02     1.86     15
 Total:         -1.00   -87.86   293.25                  0.03   -87.83