REAL300017643216.mol2 37                                                        
   1       O    -0.19     3.97    17.88      19.05       0.34     4.31     16
   2       C     0.56   -14.75     7.47      71.23       0.53   -14.22     16
   3       O    -0.22     3.64    17.42      19.04       0.33     3.97     16
   4       C     0.05    -2.05     4.23     -11.02      -0.05    -2.10     16
   5       C    -0.13     4.74     7.10      31.12       0.22     4.96     16
   6       C    -0.08     2.35     3.78     -10.27      -0.04     2.31     16
   7       C     0.09    -1.29     6.06      86.38       0.52    -0.77     16
   8       N    -1.09     8.21     6.00    -187.48      -1.12     7.09     16
   9       S     2.76    29.40     5.74     -56.49      -0.32    29.08     16
  10       O    -0.97   -16.44    17.28    -128.00      -2.21   -18.66     16
  11       O    -0.96   -13.43    16.76    -128.00      -2.15   -15.57     16
  12       C    -0.71   -19.01     5.95      22.27       0.13   -18.87     16
  13       C     0.04     1.30     9.52      22.27       0.21     1.51     16
  14       C    -0.18   -10.85     8.62      22.27       0.19   -10.66     16
  15       C     0.47    36.90     4.82      22.27       0.11    37.00     16
  16       F    -0.28   -34.26    16.66      44.97       0.75   -33.51     16
  17       F    -0.59   -66.21    15.31      44.97       0.69   -65.53     16
  18       F    -0.59   -67.31    15.31      44.97       0.69   -66.62     16
  19       F    -0.60   -69.34    15.31      44.97       0.69   -68.65     16
  20       F    -0.58   -63.58    15.31      44.97       0.69   -62.89     16
  21       C    -0.19   -11.69     8.62      22.27       0.19   -11.50     16
  22       C     0.04     1.34     9.52      22.27       0.21     1.56     16
  23       C    -0.16     5.16     6.85      31.12       0.21     5.37     16
  24       H     0.31   -15.63     8.14      -2.38      -0.02   -15.65     16
  25       H     0.20    -8.17     8.14      -2.39      -0.02    -8.19     16
  26       H     0.16    -5.05     8.05      -2.38      -0.02    -5.07     16
  27       H     0.20    -7.75     8.14      -2.39      -0.02    -7.77     16
  28       H     0.12    -1.90     7.75      -2.39      -0.02    -1.92     16
  29       H     0.08    -0.99     7.84      -2.38      -0.02    -1.01     16
  30       H     0.44    -6.73     8.65     -96.75      -0.84    -7.57     16
  31       H     0.22     4.14     7.62      -2.91      -0.02     4.12     16
  32       H     0.13     8.67     7.40      -2.91      -0.02     8.65     16
  33       H     0.12     8.79     7.40      -2.91      -0.02     8.76     16
  34       H     0.21     5.11     7.62      -2.91      -0.02     5.09     16
  35       H     0.14    -3.56     7.73      -2.38      -0.02    -3.57     16
  36       H     0.18    -6.52     8.14      -2.39      -0.02    -6.54     16
 Total:         -1.00  -322.80   344.15                 -0.26  -323.06