REAL300017294773.mol2 34                                                        
   1       O    -0.28    -1.79    16.52      19.05       0.31    -1.47     16
   2       C     0.52    -2.71     6.16      71.23       0.44    -2.27     16
   3       O    -0.26     0.19    15.01      19.04       0.29     0.47     16
   4       C     0.24    -5.01     3.17      44.24       0.14    -4.87     16
   5       N    -0.90    17.53     4.96    -172.53      -0.86    16.67     16
   6       S     2.71   -11.43     5.72     -56.49      -0.32   -11.76     16
   7       O    -0.89    -1.63    17.28    -128.00      -2.21    -3.84     16
   8       O    -0.88     3.85    16.63    -128.00      -2.13     1.73     16
   9       C    -0.73   -11.79     5.14      22.27       0.11   -11.67     16
  10       C     0.03     0.71     9.52      22.27       0.21     0.92     16
  11       C    -0.18    -9.46     8.62      22.27       0.19    -9.27     16
  12       C     0.48    34.78     4.82      22.27       0.11    34.89     16
  13       F    -0.27   -32.46    16.66      44.97       0.75   -31.71     16
  14       F    -0.60   -65.00    15.31      44.97       0.69   -64.32     16
  15       F    -0.58   -63.60    15.31      44.97       0.69   -62.91     16
  16       F    -0.60   -66.49    15.30      44.97       0.69   -65.80     16
  17       F    -0.58   -62.16    15.32      44.97       0.69   -61.47     16
  18       C    -0.19   -10.48     8.62      22.27       0.19   -10.29     16
  19       C     0.05     1.48     9.52      22.27       0.21     1.69     16
  20       C    -0.16     4.50     5.93     -10.79      -0.06     4.44     16
  21       C    -0.16     3.69     9.50      30.59       0.29     3.98     16
  22       C    -0.12     3.06     9.81      30.59       0.30     3.36     16
  23       H     0.31    -9.56     7.50      -2.39      -0.02    -9.57     16
  24       H     0.48   -13.60     8.84     -96.75      -0.85   -14.46     16
  25       H     0.24     1.03     7.62      -2.91      -0.02     1.00     16
  26       H     0.13     8.12     7.40      -2.91      -0.02     8.10     16
  27       H     0.12     8.22     7.40      -2.91      -0.02     8.19     16
  28       H     0.22     3.25     7.62      -2.91      -0.02     3.23     16
  29       H     0.26   -10.02     8.14      -2.39      -0.02   -10.04     16
  30       H     0.16    -4.05     8.14      -2.38      -0.02    -4.07     16
  31       H     0.10    -1.51     5.61      -2.39      -0.01    -1.52     16
  32       H     0.13    -2.83     7.38      -2.39      -0.02    -2.85     16
  33       H     0.18    -5.31     8.14      -2.39      -0.02    -5.33     16
 Total:         -1.00  -300.50   318.64                 -0.33  -300.83