REAL300008134443.mol2 37                                                        
   1       O    -0.71   -36.98    16.52      19.05       0.31   -36.67     16
   2       C     0.48    23.31     5.43      71.23       0.39    23.70     16
   3       O    -0.73   -41.92    15.14      19.04       0.29   -41.63     16
   4       C     0.09     3.15     2.96      44.24       0.13     3.28     16
   5       N    -1.07   -30.68     4.96    -172.53      -0.86   -31.53     16
   6       S     2.72    69.83     5.72     -56.49      -0.32    69.51     16
   7       O    -0.96   -25.01    17.28    -128.00      -2.21   -27.22     16
   8       O    -0.96   -26.79    16.63    -128.00      -2.13   -28.92     16
   9       C    -0.66   -17.05     5.14      22.27       0.11   -16.93     16
  10       C     0.04     0.99     9.52      22.27       0.21     1.20     16
  11       C    -0.13    -3.62     8.62      22.27       0.19    -3.43     16
  12       C     0.39    11.92     4.82      22.27       0.11    12.03     16
  13       F    -0.20    -9.58    16.66      44.97       0.75    -8.83     16
  14       F    -0.16    -6.92    15.31      44.97       0.69    -6.23     16
  15       F    -0.16    -6.10    15.31      44.97       0.69    -5.41     16
  16       F    -0.16    -5.85    15.30      44.97       0.69    -5.16     16
  17       F    -0.17    -7.28    15.32      44.97       0.69    -6.59     16
  18       C    -0.13    -3.16     8.62      22.27       0.19    -2.97     16
  19       C     0.06     1.41     9.52      22.27       0.21     1.63     16
  20       C    -0.10    -3.01     3.83     -10.27      -0.04    -3.05     16
  21       C    -0.14    -4.70     7.29      31.12       0.23    -4.48     16
  22       C    -0.13    -3.68     8.08      31.12       0.25    -3.43     16
  23       C    -0.14    -4.52     7.39      31.12       0.23    -4.29     16
  24       H     0.10     3.22     7.50      -2.39      -0.02     3.20     16
  25       H     0.43    10.54     8.84     -96.75      -0.85     9.68     16
  26       H     0.21     4.17     7.62      -2.91      -0.02     4.15     16
  27       H     0.20     4.81     7.40      -2.91      -0.02     4.79     16
  28       H     0.21     4.22     7.40      -2.91      -0.02     4.20     16
  29       H     0.22     3.39     7.62      -2.91      -0.02     3.36     16
  30       H     0.12     2.90     8.14      -2.39      -0.02     2.88     16
  31       H     0.08     2.18     8.14      -2.39      -0.02     2.16     16
  32       H     0.05     2.02     6.04      -2.38      -0.01     2.01     16
  33       H     0.11     2.25     8.14      -2.38      -0.02     2.23     16
  34       H     0.05     1.59     8.14      -2.39      -0.02     1.57     16
  35       H     0.08     3.12     5.84      -2.39      -0.01     3.10     16
  36       H     0.08     2.12     8.14      -2.39      -0.02     2.10     16
 Total:         -1.00   -79.70   334.32                 -0.28   -79.98