REAL300008216892.mol2 37                                                        
   1       C     0.02     0.40    11.01     113.37       1.25     1.65     16
   2       O    -0.41   -10.27     9.88    -148.98      -1.47   -11.74     16
   3       C     0.04     0.93     5.77      71.98       0.42     1.35     16
   4       C     0.18     5.06     2.13      44.99       0.10     5.16     16
   5       H     0.12     2.72     6.36      -2.39      -0.02     2.70     16
   6       C    -0.17    -6.56     5.08      29.85       0.15    -6.41     16
   7       C     0.47    25.52     7.87      71.24       0.56    26.08     16
   8       O    -0.69   -35.94    14.67      19.06       0.28   -35.66     16
   9       O    -0.77   -51.58    18.00      19.05       0.34   -51.24     16
  10       N    -1.08   -32.49     4.74    -169.40      -0.80   -33.29     16
  11       S     2.72    75.37     5.65     -56.49      -0.32    75.05     16
  12       O    -0.98   -33.76    17.17    -128.00      -2.20   -35.95     16
  13       O    -0.94   -23.15    16.55    -128.00      -2.12   -25.27     16
  14       C    -0.61   -16.29     4.36      22.27       0.10   -16.19     16
  15       C     0.01     0.09     8.58      22.27       0.19     0.28     16
  16       C    -0.04    -0.55    10.05      22.27       0.22    -0.33     16
  17       C    -0.06    -1.32     8.62      22.27       0.19    -1.13     16
  18       C     0.31    10.47     4.82      22.27       0.11    10.58     16
  19       F    -0.21   -10.98    16.66      44.97       0.75   -10.23     16
  20       F    -0.15    -5.85    15.31      44.97       0.69    -5.17     16
  21       F    -0.16    -8.46    15.31      44.97       0.69    -7.77     16
  22       F    -0.16    -7.10    15.31      44.97       0.69    -6.41     16
  23       F    -0.17    -7.51    15.32      44.97       0.69    -6.82     16
  24       C    -0.02    -0.59     7.90      22.27       0.18    -0.42     16
  25       H     0.09     1.38     8.14      -2.39      -0.02     1.36     16
  26       H     0.05     0.75     8.14      -2.38      -0.02     0.73     16
  27       H     0.05     0.74     8.14      -2.39      -0.02     0.72     16
  28       H     0.08     1.47     7.48      -2.39      -0.02     1.46     16
  29       H     0.08     1.42     8.14      -2.39      -0.02     1.40     16
  30       H     0.09     3.06     8.14      -2.39      -0.02     3.04     16
  31       H     0.07     2.77     7.74      -2.39      -0.02     2.76     16
  32       H     0.42    13.10     8.83     -96.74      -0.85    12.24     16
  33       H     0.22     1.60     7.49      -2.91      -0.02     1.58     16
  34       H     0.25    -0.11     8.06      -2.91      -0.02    -0.13     16
  35       H     0.20     3.43     7.40      -2.91      -0.02     3.41     16
  36       H     0.16     6.05     6.86      -2.91      -0.02     6.03     16
 Total:         -1.00   -96.17   341.69                 -0.41   -96.59