REAL300007629540.mol2 39                                                        
   1       C    -0.19     4.17     8.04      71.98       0.58     4.75     16
   2       C    -0.05     1.06     0.62     -52.18      -0.03     1.03     16
   3       C    -0.14     3.85     8.32      71.98       0.60     4.45     16
   4       C    -0.19     3.86     7.97      71.98       0.57     4.43     16
   5       C     0.22    -3.84     2.09      44.24       0.09    -3.75     16
   6       H     0.30    -8.11     7.50      -2.39      -0.02    -8.13     16
   7       N    -0.89    15.02     4.18    -172.52      -0.72    14.30     16
   8       S     2.71   -10.01     5.72     -56.49      -0.32   -10.33     16
   9       O    -0.89    -1.39    17.28    -128.00      -2.21    -3.60     16
  10       O    -0.87     3.90    16.63    -128.00      -2.13     1.77     16
  11       C    -0.74   -11.92     5.89      22.27       0.13   -11.78     16
  12       C     0.03     0.67     9.52      22.27       0.21     0.88     16
  13       C    -0.18    -9.48     8.62      22.27       0.19    -9.29     16
  14       C     0.48    34.66     4.82      22.27       0.11    34.76     16
  15       F    -0.27   -32.28    16.66      44.97       0.75   -31.53     16
  16       F    -0.58   -63.33    15.31      44.97       0.69   -62.64     16
  17       F    -0.59   -64.90    15.32      44.97       0.69   -64.21     16
  18       F    -0.59   -64.91    15.32      44.97       0.69   -64.22     16
  19       F    -0.59   -63.02    15.31      44.97       0.69   -62.33     16
  20       C    -0.18   -10.25     8.62      22.27       0.19   -10.06     16
  21       C     0.05     1.47     9.52      22.27       0.21     1.68     16
  22       C     0.52    -1.70     5.89      71.24       0.42    -1.29     16
  23       O    -0.27    -1.54    17.31      19.05       0.33    -1.21     16
  24       O    -0.23    -0.42    15.58      19.08       0.30    -0.12     16
  25       H     0.10    -2.59     6.51      -2.39      -0.02    -2.60     16
  26       H     0.06    -1.01     7.22      -2.39      -0.02    -1.02     16
  27       H     0.12    -2.87     8.14      -2.39      -0.02    -2.89     16
  28       H     0.13    -3.91     8.14      -2.39      -0.02    -3.93     16
  29       H     0.11    -3.24     8.14      -2.39      -0.02    -3.26     16
  30       H     0.10    -2.93     7.60      -2.39      -0.02    -2.95     16
  31       H     0.07    -1.08     5.88      -2.39      -0.01    -1.09     16
  32       H     0.11    -2.52     8.14      -2.39      -0.02    -2.54     16
  33       H     0.13    -2.93     8.14      -2.39      -0.02    -2.95     16
  34       H     0.48   -12.02     7.03     -96.75      -0.68   -12.70     16
  35       H     0.24     1.14     7.62      -2.91      -0.02     1.12     16
  36       H     0.14     8.26     7.40      -2.91      -0.02     8.24     16
  37       H     0.13     8.19     7.40      -2.91      -0.02     8.17     16
  38       H     0.22     3.14     7.62      -2.91      -0.02     3.11     16
 Total:         -1.00  -292.79   347.01                  1.08  -291.72