REAL300017146071.mol2 37                                                        
   1       C    -0.15    -4.78     8.16      71.98       0.59    -4.19     16
   2       C     0.11     4.50     0.81       3.21       0.00     4.50     16
   3       C     0.47    27.88     6.11      71.24       0.43    28.32     16
   4       O    -0.74   -50.26    17.75      19.03       0.34   -49.92     16
   5       O    -0.71   -47.94    14.75      26.04       0.38   -47.56     16
   6       C    -0.10    -3.31     5.96      31.78       0.19    -3.12     16
   7       C    -0.11    -2.06     7.08      31.99       0.23    -1.83     16
   8       C     0.10     2.38     6.98      86.85       0.61     2.98     16
   9       N    -0.98   -31.98     2.85    -466.71      -1.33   -33.31     16
  10       S     2.71    87.70     5.05     -56.49      -0.29    87.41     16
  11       O    -0.95   -42.64    13.72    -118.99      -1.63   -44.27     16
  12       O    -0.96   -31.71    16.88    -128.00      -2.16   -33.87     16
  13       C    -0.67   -12.31     5.97      22.27       0.13   -12.18     16
  14       C     0.06     0.62     9.52      22.27       0.21     0.84     16
  15       C    -0.11    -1.19     8.62      22.27       0.19    -1.00     16
  16       C     0.39     6.66     4.82      22.27       0.11     6.76     16
  17       F    -0.21    -7.81    16.66      44.97       0.75    -7.06     16
  18       F    -0.16    -4.62    15.31      44.97       0.69    -3.94     16
  19       F    -0.16    -4.54    15.31      44.97       0.69    -3.85     16
  20       F    -0.17    -5.03    15.31      44.97       0.69    -4.34     16
  21       F    -0.15    -4.15    15.31      44.97       0.69    -3.46     16
  22       C    -0.12    -1.77     8.62      22.27       0.19    -1.58     16
  23       C     0.04     0.72     8.46      22.27       0.19     0.91     16
  24       H     0.11     2.11     8.14      -2.39      -0.02     2.09     16
  25       H     0.07     2.32     8.07      -2.39      -0.02     2.30     16
  26       H     0.05     1.45     4.88      -2.39      -0.01     1.44     16
  27       H     0.04     1.53     7.85      -2.39      -0.02     1.51     16
  28       H     0.09     2.62     7.83      -2.39      -0.02     2.60     16
  29       H     0.11     1.47     8.14      -2.39      -0.02     1.45     16
  30       H     0.11     1.31     8.14      -2.39      -0.02     1.29     16
  31       H     0.05     1.42     8.14      -2.39      -0.02     1.40     16
  32       H     0.12     1.49     8.14      -2.39      -0.02     1.47     16
  33       H     0.23     0.81     7.62      -2.91      -0.02     0.78     16
  34       H     0.22     1.28     7.40      -2.91      -0.02     1.26     16
  35       H     0.20     2.51     7.40      -2.91      -0.02     2.49     16
  36       H     0.19     3.40     6.09      -2.91      -0.02     3.39     16
 Total:         -1.00  -101.91   327.87                  1.64  -100.27