REAL300007941466.mol2 35                                                        
   1       O    -0.73   -53.97    17.60      19.08       0.34   -53.64     16
   2       C     0.49    31.91     6.46      71.24       0.46    32.37     16
   3       O    -0.70   -48.45    14.55      24.96       0.36   -48.09     16
   4       C     0.06     2.65     2.39      -0.25       0.00     2.65     16
   5       C    -0.13    -4.51     7.34      28.23       0.21    -4.30     16
   6       C    -0.09    -1.89     6.40     -11.74      -0.08    -1.97     16
   7       C    -0.14    -4.43     7.30      27.64       0.20    -4.22     16
   8       C     0.12     2.42     7.53      86.95       0.65     3.07     16
   9       N    -1.00   -34.45     3.86    -464.78      -1.79   -36.24     16
  10       S     2.72    97.53     5.89     -56.49      -0.33    97.20     16
  11       O    -0.98   -50.92    14.52    -120.30      -1.75   -52.67     16
  12       O    -0.94   -28.27    17.11    -128.00      -2.19   -30.46     16
  13       C    -0.63   -17.10     5.97      22.27       0.13   -16.97     16
  14       C     0.01     0.11     9.52      22.27       0.21     0.32     16
  15       C    -0.04    -0.12    10.05      22.27       0.22     0.10     16
  16       C    -0.05    -0.66     8.62      22.27       0.19    -0.46     16
  17       C     0.31     9.61     4.82      22.27       0.11     9.72     16
  18       F    -0.21   -11.11    16.66      44.97       0.75   -10.36     16
  19       F    -0.16    -5.95    15.32      44.97       0.69    -5.26     16
  20       F    -0.15    -7.84    15.30      44.97       0.69    -7.15     16
  21       F    -0.16    -6.09    15.31      44.97       0.69    -5.40     16
  22       F    -0.19    -9.56    15.32      44.97       0.69    -8.87     16
  23       C    -0.03    -1.17     7.97      22.27       0.18    -0.99     16
  24       H     0.06     2.21     8.14      -2.39      -0.02     2.19     16
  25       H     0.09     3.39     7.86      -2.39      -0.02     3.37     16
  26       H     0.17     1.99     8.14      -2.39      -0.02     1.97     16
  27       H     0.08     2.80     7.86      -2.39      -0.02     2.79     16
  28       H     0.08     2.28     8.11      -2.39      -0.02     2.26     16
  29       H     0.11     1.63     8.14      -2.39      -0.02     1.61     16
  30       H     0.13     1.21     8.14      -2.38      -0.02     1.19     16
  31       H     0.23     0.20     7.62      -2.91      -0.02     0.18     16
  32       H     0.27    -2.99     8.06      -2.91      -0.02    -3.01     16
  33       H     0.22     1.79     7.40      -2.91      -0.02     1.76     16
  34       H     0.16     8.20     4.99      -2.91      -0.01     8.19     16
 Total:         -1.00  -119.55   320.26                  0.42  -119.14