REAL300008263512.mol2 37                                                        
   1       C     0.01    -0.21    10.82     113.37       1.23     1.01     16
   2       O    -0.39     4.96     9.48    -148.98      -1.41     3.55     16
   3       C     0.08    -1.78     2.55      30.60       0.08    -1.70     16
   4       H     0.20    -6.41     7.79      -2.38      -0.02    -6.43     16
   5       C    -0.17     4.47     9.31      71.98       0.67     5.14     16
   6       C     0.22    -3.73     2.68      44.25       0.12    -3.61     16
   7       H     0.32   -10.72     7.50      -2.39      -0.02   -10.73     16
   8       N    -0.90     6.39     4.20    -172.53      -0.73     5.66     16
   9       S     2.69    17.37     5.72     -56.49      -0.32    17.05     16
  10       O    -0.92   -19.62    17.28    -128.00      -2.21   -21.83     16
  11       O    -0.84     2.43    16.63    -128.00      -2.13     0.30     16
  12       C    -0.68   -16.48     5.94      22.27       0.13   -16.34     16
  13       C    -0.03    -0.35     9.52      22.27       0.21    -0.14     16
  14       C    -0.07    -1.77    10.05      22.27       0.22    -1.54     16
  15       C    -0.10    -5.48     8.62      22.27       0.19    -5.28     16
  16       C     0.39    28.56     4.82      22.27       0.11    28.66     16
  17       F    -0.28   -33.24    16.66      44.97       0.75   -32.49     16
  18       F    -0.59   -64.84    15.31      44.97       0.69   -64.15     16
  19       F    -0.59   -63.65    15.31      44.97       0.69   -62.96     16
  20       F    -0.59   -64.48    15.32      44.97       0.69   -63.79     16
  21       F    -0.59   -65.38    15.31      44.97       0.69   -64.69     16
  22       C    -0.05    -2.83     8.10      22.27       0.18    -2.65     16
  23       C     0.52    -1.20     6.77      71.24       0.48    -0.72     16
  24       O    -0.27    -3.42    17.51      19.38       0.34    -3.08     16
  25       O    -0.24     0.60    18.00      19.03       0.34     0.94     16
  26       H     0.09    -0.83     8.14      -2.39      -0.02    -0.85     16
  27       H     0.07    -1.25     8.09      -2.38      -0.02    -1.27     16
  28       H     0.10    -1.92     7.87      -2.39      -0.02    -1.94     16
  29       H     0.14    -4.54     8.14      -2.39      -0.02    -4.56     16
  30       H     0.08    -1.92     7.38      -2.39      -0.02    -1.94     16
  31       H     0.14    -3.76     7.87      -2.39      -0.02    -3.78     16
  32       H     0.48    -4.61     8.45     -96.75      -0.82    -5.43     16
  33       H     0.27    -2.63     7.62      -2.91      -0.02    -2.65     16
  34       H     0.23     2.41     8.06      -2.91      -0.02     2.39     16
  35       H     0.12     7.95     7.40      -2.91      -0.02     7.92     16
  36       H     0.13     8.27     6.96      -2.92      -0.02     8.25     16
 Total:         -1.00  -303.64   347.18                 -0.05  -303.69