REAL300016409924.mol2 33                                                        
   1       C    -0.15     5.16     9.18      71.98       0.66     5.82     16
   2       C     0.17    -3.83     3.12      44.25       0.14    -3.69     16
   3       H     0.25    -6.80     6.91      -2.39      -0.02    -6.82     16
   4       C     0.53    -5.03     7.19      71.24       0.51    -4.52     16
   5       O    -0.30     0.72    14.99      19.03       0.29     1.00     16
   6       O    -0.35     0.43    18.00      19.07       0.34     0.77     16
   7       N    -0.72    14.90     2.92    -520.42      -1.52    13.38     16
   8       C    -0.01     0.26     8.90     127.77       1.14     1.40     16
   9       S     2.70   -19.54     5.64     -56.49      -0.32   -19.85     16
  10       O    -0.86     4.09    16.35    -128.00      -2.09     2.00     16
  11       O    -0.87     5.43    15.85    -128.00      -2.03     3.40     16
  12       C    -0.73   -10.43     5.97      22.27       0.13   -10.30     16
  13       C     0.04     0.92     9.52      22.27       0.21     1.13     16
  14       C    -0.18   -10.05     8.62      22.27       0.19    -9.86     16
  15       C     0.47    34.61     4.82      22.27       0.11    34.71     16
  16       F    -0.27   -32.55    16.66      44.97       0.75   -31.80     16
  17       F    -0.60   -64.78    15.31      44.97       0.69   -64.09     16
  18       F    -0.58   -64.12    15.31      44.97       0.69   -63.43     16
  19       F    -0.59   -65.40    15.31      44.97       0.69   -64.71     16
  20       F    -0.59   -63.53    15.31      44.97       0.69   -62.84     16
  21       C    -0.19   -10.09     8.62      22.27       0.19    -9.90     16
  22       C     0.05     1.19     9.52      22.27       0.21     1.41     16
  23       H     0.14    -5.47     7.67      -2.39      -0.02    -5.49     16
  24       H     0.14    -4.75     8.14      -2.39      -0.02    -4.77     16
  25       H     0.20    -8.06     8.14      -2.39      -0.02    -8.08     16
  26       H     0.26   -10.06     8.14      -2.39      -0.02   -10.08     16
  27       H     0.15    -3.73     7.79      -2.38      -0.02    -3.75     16
  28       H     0.18    -5.01     5.94      -2.38      -0.01    -5.02     16
  29       H     0.23     1.78     7.62      -2.91      -0.02     1.75     16
  30       H     0.13     8.11     7.40      -2.91      -0.02     8.09     16
  31       H     0.13     8.25     7.40      -2.91      -0.02     8.23     16
  32       H     0.23     1.94     7.62      -2.91      -0.02     1.92     16
 Total:         -1.00  -305.45   309.90                  1.46  -304.00