REAL300008322758.mol2 35                                                        
   1       O    -0.74   -52.39    16.87      17.49       0.30   -52.09     16
   2       C     0.49    31.34     7.95      70.03       0.56    31.90     16
   3       O    -0.73   -50.41    17.41      17.54       0.31   -50.11     16
   4       C    -0.23   -10.24     5.87     -18.55      -0.11   -10.35     16
   5       C    -0.10    -3.74     9.43      24.68       0.23    -3.51     16
   6       C    -0.10    -2.16     6.28      29.66       0.19    -1.97     16
   7       C     0.11     1.58     6.46      86.25       0.56     2.13     16
   8       N    -0.99   -20.51     3.29    -516.99      -1.70   -22.21     16
   9       S     2.71    45.75     5.75     -56.49      -0.32    45.42     16
  10       O    -0.97   -24.73    15.95    -128.00      -2.04   -26.77     16
  11       O    -0.94   -15.86    16.03    -128.00      -2.05   -17.92     16
  12       C    -0.67    -5.90     5.97      22.27       0.13    -5.76     16
  13       C     0.06     0.20     9.52      22.27       0.21     0.41     16
  14       C    -0.12    -0.81     8.62      22.27       0.19    -0.62     16
  15       C     0.39     5.47     4.82      22.27       0.11     5.57     16
  16       F    -0.20    -7.49    16.66      44.97       0.75    -6.75     16
  17       F    -0.16    -4.74    15.31      44.97       0.69    -4.05     16
  18       F    -0.16    -4.22    15.32      44.97       0.69    -3.53     16
  19       F    -0.17    -4.71    15.32      44.97       0.69    -4.02     16
  20       F    -0.16    -4.20    15.31      44.97       0.69    -3.51     16
  21       C    -0.13    -1.38     8.62      22.27       0.19    -1.18     16
  22       C     0.05     0.42     9.52      22.27       0.21     0.63     16
  23       C     0.19     6.10     6.00      85.42       0.51     6.61     16
  24       H     0.09     3.79     7.17      -2.91      -0.02     3.77     16
  25       H     0.09     1.79     8.14      -2.39      -0.02     1.77     16
  26       H     0.12     1.75     8.14      -2.39      -0.02     1.73     16
  27       H     0.14     0.79     7.12      -2.39      -0.02     0.77     16
  28       H     0.10     1.10     8.14      -2.38      -0.02     1.08     16
  29       H     0.24    -1.09     7.62      -2.91      -0.02    -1.11     16
  30       H     0.21     0.63     7.40      -2.91      -0.02     0.61     16
  31       H     0.20     1.86     7.40      -2.91      -0.02     1.83     16
  32       H     0.21     1.41     7.61      -2.91      -0.02     1.38     16
  33       H     0.09     2.74     8.14      -2.39      -0.02     2.72     16
  34       H     0.09     3.22     6.95      -2.39      -0.02     3.20     16
 Total:         -1.00  -104.67   326.12                  0.75  -103.91