REAL300017247994.mol2 34                                                        
   1       C    -0.19     3.23     9.38      71.98       0.67     3.91     16
   2       C     0.12    -2.73     3.26      30.60       0.10    -2.63     16
   3       H     0.18    -6.14     8.14      -2.39      -0.02    -6.15     16
   4       O    -0.56     9.64    12.93    -148.98      -1.93     7.72     16
   5       C     0.24    -4.48     2.43      44.25       0.11    -4.37     16
   6       H     0.26    -5.58     7.21      -2.39      -0.02    -5.60     16
   7       N    -0.88    18.06     4.37    -172.51      -0.75    17.30     16
   8       S     2.71   -15.41     5.65     -56.49      -0.32   -15.73     16
   9       O    -0.88     1.17    17.28    -128.00      -2.21    -1.05     16
  10       O    -0.90     1.33    17.05    -128.00      -2.18    -0.85     16
  11       C    -0.72    -7.37     5.82      22.27       0.13    -7.24     16
  12       C     0.04     0.72     8.88      22.27       0.20     0.92     16
  13       C    -0.18    -8.41     8.62      22.27       0.19    -8.22     16
  14       C     0.49    32.65     4.82      22.27       0.11    32.76     16
  15       F    -0.35   -41.47    16.66      44.97       0.75   -40.72     16
  16       F    -0.57   -58.38    15.31      44.97       0.69   -57.70     16
  17       F    -0.59   -62.80    15.31      44.97       0.69   -62.12     16
  18       F    -0.59   -63.12    15.31      44.97       0.69   -62.44     16
  19       F    -0.56   -57.95    15.32      44.97       0.69   -57.26     16
  20       C    -0.18    -8.70     8.62      22.27       0.19    -8.51     16
  21       C     0.06     1.18     9.52      22.27       0.21     1.39     16
  22       C     0.54    -7.41     6.88      71.24       0.49    -6.92     16
  23       O    -0.24     1.62    17.99      19.04       0.34     1.96     16
  24       O    -0.25     3.17    17.59      19.03       0.33     3.50     16
  25       H     0.14    -2.58     8.14      -2.39      -0.02    -2.60     16
  26       H     0.12    -2.60     7.60      -2.39      -0.02    -2.62     16
  27       H     0.07    -0.52     8.14      -2.39      -0.02    -0.54     16
  28       H     0.44   -10.42     9.08     -74.06      -0.67   -11.09     16
  29       H     0.49   -15.27     8.84     -96.75      -0.85   -16.13     16
  30       H     0.23     0.76     7.62      -2.91      -0.02     0.74     16
  31       H     0.13     7.54     7.40      -2.91      -0.02     7.52     16
  32       H     0.13     7.55     7.40      -2.91      -0.02     7.53     16
  33       H     0.23     1.23     7.62      -2.91      -0.02     1.21     16
 Total:         -1.00  -291.51   326.20                 -2.52  -294.03