REAL300007641594.mol2 35                                                        
   1       O    -0.72   -50.17    17.41      25.14       0.44   -49.73     16
   2       C     0.48    30.05     7.41      71.23       0.53    30.57     16
   3       O    -0.72   -48.58    17.96      19.04       0.34   -48.24     16
   4       C     0.03     1.33     3.27      29.95       0.10     1.43     16
   5       C     0.12     3.76     5.95      86.36       0.51     4.27     16
   6       N    -0.99   -20.61     3.34    -511.59      -1.71   -22.32     16
   7       S     2.71    43.63     5.75     -56.49      -0.32    43.31     16
   8       O    -0.94   -15.28    15.90    -128.00      -2.04   -17.32     16
   9       O    -0.96   -22.60    15.91    -128.00      -2.04   -24.64     16
  10       C    -0.67    -5.93     5.97      22.27       0.13    -5.80     16
  11       C     0.05     0.43     9.52      22.27       0.21     0.64     16
  12       C    -0.13    -1.38     8.62      22.27       0.19    -1.19     16
  13       C     0.38     5.56     4.82      22.27       0.11     5.66     16
  14       F    -0.21    -7.66    16.66      44.97       0.75    -6.91     16
  15       F    -0.16    -4.33    15.31      44.97       0.69    -3.65     16
  16       F    -0.16    -4.54    15.32      44.97       0.69    -3.85     16
  17       F    -0.16    -4.14    15.32      44.97       0.69    -3.46     16
  18       F    -0.16    -4.79    15.31      44.97       0.69    -4.10     16
  19       C    -0.12    -0.87     8.62      22.27       0.19    -0.68     16
  20       C     0.06     0.23     9.52      22.27       0.21     0.45     16
  21       C     0.08     1.22     6.71      86.35       0.58     1.80     16
  22       C     0.03     0.65     6.98      72.08       0.50     1.15     16
  23       O    -0.38   -15.66     9.92    -130.08      -1.29   -16.95     16
  24       H     0.06     2.73     8.14      -2.39      -0.02     2.71     16
  25       H     0.11     3.50     6.94      -2.39      -0.02     3.48     16
  26       H     0.08     2.61     8.14      -2.39      -0.02     2.60     16
  27       H     0.21     1.25     7.62      -2.91      -0.02     1.23     16
  28       H     0.20     1.85     7.40      -2.91      -0.02     1.83     16
  29       H     0.21     0.78     7.40      -2.91      -0.02     0.76     16
  30       H     0.23    -0.91     7.62      -2.91      -0.02    -0.94     16
  31       H     0.14     1.11     6.95      -2.38      -0.02     1.10     16
  32       H     0.10     1.29     8.14      -2.39      -0.02     1.27     16
  33       H     0.06     1.29     8.14      -2.39      -0.02     1.27     16
  34       H     0.13     2.36     8.14      -2.39      -0.02     2.34     16
 Total:         -1.00  -101.85   326.13                 -0.06  -101.91