REAL300025569601.mol2 30                                                        
   1       O    -0.15     3.69    18.07      18.11       0.33     4.02     15
   2       C     0.50   -15.58     9.62     130.01       1.25   -14.33     15
   3       N    -0.31     8.18    10.58    -431.19      -4.56     3.62     15
   4       C     0.25    -7.14     8.01     138.21       1.11    -6.03     15
   5       C     0.15    -3.13     6.84      85.63       0.59    -2.54     15
   6       N    -1.10    12.70     5.97    -190.80      -1.14    11.56     15
   7       S     2.77    12.44     5.74     -56.49      -0.32    12.11     15
   8       O    -0.95   -11.42    17.28    -128.00      -2.21   -13.63     15
   9       O    -0.94    -5.74    16.76    -128.00      -2.15    -7.89     15
  10       C    -0.71   -14.73     5.95      22.27       0.13   -14.60     15
  11       C     0.04     1.17     9.52      22.27       0.21     1.38     15
  12       C    -0.18   -10.01     8.62      22.27       0.19    -9.82     15
  13       C     0.48    36.38     4.82      22.27       0.11    36.49     15
  14       F    -0.35   -42.57    16.66      44.97       0.75   -41.82     15
  15       F    -0.58   -63.69    15.31      44.97       0.69   -63.00     15
  16       F    -0.59   -65.93    15.31      44.97       0.69   -65.25     15
  17       F    -0.60   -68.76    15.32      44.97       0.69   -68.07     15
  18       F    -0.56   -60.62    15.31      44.97       0.69   -59.93     15
  19       C    -0.19   -11.16     8.62      22.27       0.19   -10.96     15
  20       C     0.04     1.32     9.52      22.27       0.21     1.53     15
  21       N    -0.03     1.00    12.33     -53.63      -0.66     0.34     15
  22       O     0.43   -15.89    11.35      93.28       1.06   -14.84     15
  23       H     0.21    -5.71     7.75      -2.39      -0.02    -5.72     15
  24       H     0.19    -4.11     8.14      -2.39      -0.02    -4.13     15
  25       H     0.45    -7.05     7.92     -96.75      -0.77    -7.81     15
  26       H     0.24     2.29     7.62      -2.91      -0.02     2.27     15
  27       H     0.14     8.44     7.40      -2.91      -0.02     8.42     15
  28       H     0.12     8.42     7.40      -2.91      -0.02     8.40     15
  29       H     0.21     4.24     7.62      -2.91      -0.02     4.22     15
 Total:         -1.00  -312.97   301.35                 -3.05  -316.02