REAL300010810734.mol2 36                                                        
   1       C    -0.14    -4.98     7.76      71.98       0.56    -4.42     16
   2       C     0.13     3.46     3.24      44.99       0.15     3.61     16
   3       C    -0.16    -2.72     9.16      71.98       0.66    -2.06     16
   4       N    -0.96   -29.87     2.35    -497.40      -1.17   -31.05     16
   5       C     0.07     2.89     5.48      85.63       0.47     3.36     16
   6       C     0.46    26.79     6.93      71.24       0.49    27.29     16
   7       O    -0.71   -45.12    14.31      19.05       0.27   -44.85     16
   8       O    -0.75   -51.28    18.00      19.04       0.34   -50.94     16
   9       S     2.70    74.59     5.63     -56.49      -0.32    74.27     16
  10       O    -0.97   -35.80    16.25    -128.00      -2.08   -37.88     16
  11       O    -0.96   -28.01    15.85    -128.00      -2.03   -30.03     16
  12       C    -0.67    -9.71     5.97      22.27       0.13    -9.57     16
  13       C     0.06     0.47     9.52      22.27       0.21     0.68     16
  14       C    -0.12    -1.09     8.62      22.27       0.19    -0.90     16
  15       C     0.39     6.06     4.82      22.27       0.11     6.17     16
  16       F    -0.20    -7.54    16.66      44.97       0.75    -6.79     16
  17       F    -0.16    -4.66    15.31      44.97       0.69    -3.97     16
  18       F    -0.16    -4.42    15.31      44.97       0.69    -3.73     16
  19       F    -0.17    -4.76    15.31      44.97       0.69    -4.07     16
  20       F    -0.16    -4.28    15.31      44.97       0.69    -3.59     16
  21       C    -0.12    -1.47     8.62      22.27       0.19    -1.27     16
  22       C     0.05     0.57     9.52      22.27       0.21     0.79     16
  23       H     0.08     2.12     8.14      -2.39      -0.02     2.10     16
  24       H     0.04     1.60     6.94      -2.39      -0.02     1.59     16
  25       H     0.03     1.08     6.53      -2.39      -0.02     1.06     16
  26       H     0.12     2.38     6.91      -2.39      -0.02     2.36     16
  27       H     0.05     1.03     6.69      -2.39      -0.02     1.02     16
  28       H     0.08     0.92     8.14      -2.39      -0.02     0.90     16
  29       H     0.09     1.17     8.14      -2.39      -0.02     1.15     16
  30       H     0.10     3.42     7.61      -2.39      -0.02     3.40     16
  31       H     0.11     3.61     6.45      -2.39      -0.02     3.60     16
  32       H     0.23     0.45     7.62      -2.91      -0.02     0.42     16
  33       H     0.22     1.12     7.40      -2.91      -0.02     1.10     16
  34       H     0.21     1.95     7.40      -2.91      -0.02     1.93     16
  35       H     0.21     2.04     7.62      -2.91      -0.02     2.02     16
 Total:         -1.00   -97.98   325.54                  1.65   -96.33