REAL300008134442.mol2 37                                                        
   1       O    -0.29    -3.65    16.52      19.05       0.31    -3.34     16
   2       C     0.52    -2.51     5.43      71.23       0.39    -2.13     16
   3       O    -0.21     1.20    15.14      19.04       0.29     1.49     16
   4       C     0.23    -4.35     2.96      44.24       0.13    -4.22     16
   5       N    -0.90     9.89     4.96    -172.53      -0.86     9.03     16
   6       S     2.70    13.69     5.72     -56.49      -0.32    13.37     16
   7       O    -0.92   -18.43    17.28    -128.00      -2.21   -20.64     16
   8       O    -0.85     2.49    16.63    -128.00      -2.13     0.36     16
   9       C    -0.68   -15.58     5.14      22.27       0.11   -15.47     16
  10       C    -0.03    -0.34     9.52      22.27       0.21    -0.13     16
  11       C    -0.07    -1.76    10.05      22.27       0.22    -1.54     16
  12       C    -0.10    -5.60     8.62      22.27       0.19    -5.41     16
  13       C     0.41    29.57     4.82      22.27       0.11    29.68     16
  14       F    -0.34   -41.89    16.67      44.97       0.75   -41.14     16
  15       F    -0.59   -66.04    15.31      44.97       0.69   -65.35     16
  16       F    -0.57   -60.50    15.30      44.97       0.69   -59.81     16
  17       F    -0.59   -63.97    15.32      44.97       0.69   -63.28     16
  18       F    -0.58   -64.41    15.31      44.97       0.69   -63.72     16
  19       C    -0.04    -2.34     8.10      22.27       0.18    -2.16     16
  20       C    -0.11     2.74     3.83     -10.27      -0.04     2.70     16
  21       C    -0.17     2.92     7.29      31.12       0.23     3.15     16
  22       C    -0.14     2.57     8.08      31.12       0.25     2.82     16
  23       C    -0.13     3.21     7.39      31.12       0.23     3.44     16
  24       H     0.32   -10.83     7.50      -2.39      -0.02   -10.85     16
  25       H     0.48    -7.57     8.84     -96.75      -0.85    -8.42     16
  26       H     0.27    -2.76     7.62      -2.91      -0.02    -2.78     16
  27       H     0.23     2.28     8.06      -2.91      -0.02     2.26     16
  28       H     0.12     7.97     7.40      -2.91      -0.02     7.95     16
  29       H     0.13     8.17     6.96      -2.91      -0.02     8.15     16
  30       H     0.27    -9.58     8.14      -2.39      -0.02    -9.60     16
  31       H     0.12    -2.03     8.14      -2.39      -0.02    -2.05     16
  32       H     0.07    -0.76     6.04      -2.38      -0.01    -0.78     16
  33       H     0.12    -2.44     8.14      -2.38      -0.02    -2.45     16
  34       H     0.07    -0.94     8.14      -2.39      -0.02    -0.96     16
  35       H     0.12    -2.62     5.84      -2.39      -0.01    -2.64     16
  36       H     0.16    -4.68     8.14      -2.39      -0.02    -4.70     16
 Total:         -1.00  -308.87   334.34                 -0.28  -309.15