REAL300018431346.mol2 37                                                        
   1       O    -0.70   -19.26    18.00      19.03       0.34   -18.92     16
   2       C     0.49     6.34     6.11      71.24       0.44     6.78     16
   3       O    -0.69   -11.22    16.46      19.04       0.31   -10.91     16
   4       C     0.00     0.02     2.36      44.17       0.10     0.13     16
   5       H     0.15    -0.92     8.09      -2.39      -0.02    -0.94     16
   6       C    -0.10     0.67     4.87      30.59       0.15     0.82     16
   7       C    -0.11     0.92     5.67      71.98       0.41     1.33     16
   8       S    -0.14     0.27    21.77     -56.49      -1.23    -0.96     16
   9       C     0.46     0.98     3.51     113.37       0.40     1.38     16
  10       F    -0.17    -0.32    17.34      44.97       0.78     0.46     16
  11       F    -0.16    -0.74    17.36      44.97       0.78     0.04     16
  12       F    -0.17    -0.80    17.34      44.97       0.78    -0.02     16
  13       N    -0.47     7.90     1.50    -499.46      -0.75     7.15     16
  14       H     0.43    -8.56     6.66     -89.69      -0.60    -9.15     16
  15       H     0.44    -9.02     7.98     -89.70      -0.72    -9.74     16
  16       C     0.04    -0.60     4.90      85.55       0.42    -0.18     16
  17       C    -0.13     2.57     5.38     -19.65      -0.11     2.46     16
  18       C    -0.04     0.99     9.66      22.24       0.21     1.21     16
  19       C    -0.09     2.36    10.04      22.33       0.22     2.58     16
  20       C    -0.04     1.08    10.03      22.24       0.22     1.30     16
  21       C    -0.11     2.38     9.86      22.49       0.22     2.60     16
  22       C     0.21    -3.56     8.81      22.83       0.20    -3.36     16
  23       O    -0.61    -1.93    17.89    -127.47      -2.28    -4.21     16
  24       O    -0.64    -2.16    16.80    -127.47      -2.14    -4.30     16
  25       H     0.12    -1.05     8.14      -2.39      -0.02    -1.07     16
  26       H     0.10    -0.11     8.14      -2.39      -0.02    -0.13     16
  27       H     0.12    -0.86     8.14      -2.39      -0.02    -0.88     16
  28       H     0.12    -1.67     6.63      -2.39      -0.02    -1.68     16
  29       H     0.15    -1.91     6.54      -2.39      -0.02    -1.93     16
  30       H     0.15    -2.23     4.86      -2.39      -0.01    -2.25     16
  31       H     0.19    -4.64     8.00      -2.91      -0.02    -4.67     16
  32       H     0.19    -5.63     8.06      -2.91      -0.02    -5.66     16
  33       H     0.20    -6.05     8.06      -2.91      -0.02    -6.07     16
  34       H     0.18    -4.00     8.06      -2.91      -0.02    -4.02     16
  35       H     0.34    -2.38     8.82     -74.06      -0.65    -3.04     16
  36       H     0.33    -1.57     6.74     -74.06      -0.50    -2.07     16
 Total:          0.00   -64.73   338.57                 -3.19   -67.92