REAL300017246237.mol2 37                                                        
   1       C    -0.11    -2.03     9.70      71.98       0.70    -1.33     16
   2       C    -0.12    -3.83     2.51     -52.18      -0.13    -3.96     16
   3       C     0.13     5.09     2.91      44.25       0.13     5.22     16
   4       N    -1.07   -32.99     3.98    -172.53      -0.69   -33.67     16
   5       S     2.71    73.74     5.65     -56.49      -0.32    73.42     16
   6       O    -0.95   -25.66    17.28    -128.00      -2.21   -27.88     16
   7       O    -0.98   -37.48    17.05    -128.00      -2.18   -39.66     16
   8       C    -0.67   -10.88     5.82      22.27       0.13   -10.75     16
   9       C     0.04     0.64     8.88      22.27       0.20     0.84     16
  10       C    -0.13    -1.97     8.62      22.27       0.19    -1.78     16
  11       C     0.41     7.25     4.82      22.27       0.11     7.36     16
  12       F    -0.06    -1.96    16.66      44.97       0.75    -1.21     16
  13       F    -0.11    -2.84    15.31      44.97       0.69    -2.15     16
  14       F    -0.21    -6.57    15.32      44.97       0.69    -5.88     16
  15       F    -0.25    -7.21    15.32      44.97       0.69    -6.52     16
  16       F    -0.22    -6.68    15.31      44.97       0.69    -5.99     16
  17       C    -0.12    -1.22     8.62      22.27       0.19    -1.03     16
  18       C     0.06     0.57     9.52      22.27       0.21     0.78     16
  19       C     0.47    27.23     5.49      71.23       0.39    27.63     16
  20       O    -0.73   -47.59    15.93      19.04       0.30   -47.29     16
  21       O    -0.72   -47.44    17.36      19.03       0.33   -47.11     16
  22       C    -0.19    -6.78     9.26      30.59       0.28    -6.50     16
  23       C    -0.16    -5.07     9.56      30.60       0.29    -4.78     16
  24       H     0.07     1.20     7.90      -2.39      -0.02     1.18     16
  25       H     0.08     1.20     6.25      -2.39      -0.01     1.18     16
  26       H     0.08     1.16     8.14      -2.39      -0.02     1.14     16
  27       H     0.10     3.30     7.21      -2.39      -0.02     3.28     16
  28       H     0.43    11.43     7.89     -96.74      -0.76    10.67     16
  29       H     0.20     3.16     7.62      -2.91      -0.02     3.14     16
  30       H     0.20     2.85     7.40      -2.91      -0.02     2.83     16
  31       H     0.21     1.27     7.40      -2.91      -0.02     1.25     16
  32       H     0.23     0.37     7.62      -2.91      -0.02     0.35     16
  33       H     0.05     2.39     6.19      -2.39      -0.01     2.38     16
  34       H     0.12     3.34     8.05      -2.39      -0.02     3.32     16
  35       H     0.13     3.01     8.14      -2.39      -0.02     2.99     16
  36       H     0.07     2.99     7.09      -2.39      -0.02     2.97     16
 Total:         -1.00   -96.02   337.79                  0.44   -95.58