REAL300008278700.mol2 35                                                        
   1       O    -0.27     3.40    17.10      19.05       0.33     3.73     16
   2       C     0.57   -11.89     7.86      71.23       0.56   -11.33     16
   3       O    -0.24     4.36    17.78      19.04       0.34     4.70     16
   4       C    -0.08     2.22     2.90     -52.02      -0.15     2.07     16
   5       C     0.03    -1.02     9.81      30.60       0.30    -0.72     16
   6       C    -0.07     2.36     6.92      -9.89      -0.07     2.30     16
   7       C     0.08    -1.89     7.02      86.53       0.61    -1.28     16
   8       N    -0.95    13.62     3.70    -504.97      -1.87    11.75     16
   9       S     2.76     8.89     6.02     -56.49      -0.34     8.55     16
  10       O    -0.93    -6.74    16.59    -128.00      -2.12    -8.86     16
  11       O    -0.93    -7.07    16.69    -128.00      -2.14    -9.21     16
  12       C    -0.71   -14.43     5.97      22.27       0.13   -14.30     16
  13       C     0.04     1.32     9.52      22.27       0.21     1.53     16
  14       C    -0.18   -10.49     8.62      22.27       0.19   -10.30     16
  15       C     0.47    35.39     4.82      22.27       0.11    35.50     16
  16       F    -0.28   -33.57    16.66      44.97       0.75   -32.82     16
  17       F    -0.59   -63.77    15.31      44.97       0.69   -63.08     16
  18       F    -0.60   -66.68    15.32      44.97       0.69   -65.99     16
  19       F    -0.61   -67.98    15.32      44.97       0.69   -67.29     16
  20       F    -0.57   -61.96    15.31      44.97       0.69   -61.27     16
  21       C    -0.18   -10.51     8.62      22.27       0.19   -10.32     16
  22       C     0.04     1.20     9.52      22.27       0.21     1.42     16
  23       C     0.11    -2.64     6.69      86.71       0.58    -2.06     16
  24       H     0.21    -8.63     8.14      -2.39      -0.02    -8.65     16
  25       H     0.21    -8.97     8.14      -2.38      -0.02    -8.99     16
  26       H     0.22    -7.97     8.14      -2.38      -0.02    -7.99     16
  27       H     0.14    -3.05     7.73      -2.38      -0.02    -3.06     16
  28       H     0.15    -4.12     8.14      -2.38      -0.02    -4.14     16
  29       H     0.22     3.39     7.62      -2.91      -0.02     3.37     16
  30       H     0.13     8.30     7.40      -2.91      -0.02     8.28     16
  31       H     0.13     8.38     7.40      -2.91      -0.02     8.36     16
  32       H     0.22     3.21     7.62      -2.91      -0.02     3.19     16
  33       H     0.27    -8.67     8.14      -2.39      -0.02    -8.69     16
  34       H     0.17    -3.78     6.91      -2.39      -0.02    -3.80     16
 Total:         -1.00  -309.80   329.44                  0.36  -309.44