@<TRIPOS>MOLECULE
BindingDB_13076
 25 26 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        16.5052    7.8245   12.0057  C     
2    S        16.8822    5.1453   12.2179  S     
3    O        16.1440    3.9652   11.4572  O     
4    O        18.3906    4.7440   12.5367  O     
5    N        16.7696    6.5843   11.3614  N     
6    N        15.8921    7.7887   13.3000  N     
7    C        16.0751    5.3999   13.7250  C     
8    C        15.6888    6.7045   14.0953  C     
9    C        15.8614    4.3170   14.5938  C     
10   C        15.0823    6.8929   15.3548  C     
11   C        14.8733    5.8132   16.2414  C     
12   C        15.2721    4.5044   15.8601  C     
13   Cl       14.1714    6.1529   17.7493  Cl    
14   N        14.0869    3.0702   18.2055  N     
15   S        15.1558    3.1079   16.9069  S     
16   O        14.8669    1.7776   16.0784  O     
17   O        16.5926    2.8076   17.5140  O     
18   H        17.4486    8.3693   12.0910  H     
19   H        15.8466    8.3983   11.3464  H     
20   H        17.0870    6.6058   10.4382  H     
21   H        15.6207    8.6434   13.6689  H     
22   H        16.1729    3.3814   14.3115  H     
23   H        14.8047    7.8374   15.6324  H     
24   H        13.2098    2.6771   18.1026  H     
25   H        14.3191    3.5384   19.0300  H     
@<TRIPOS>BOND
     1    1    5 1
     2    1    6 1
     3    2    3 2
     4    2    4 2
     5    2    5 1
     6    2    7 1
     7    6    8 1
     8    7    8 2
     9    7    9 1
    10    8   10 1
    11    9   12 2
    12   10   11 2
    13   11   12 1
    14   11   13 1
    15   12   15 1
    16   14   15 am
    17   15   16 2
    18   15   17 2
    19    1   18 1
    20    1   19 1
    21    5   20 1
    22    6   21 1
    23    9   22 1
    24   10   23 1
    25   14   24 1
    26   14   25 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.7385
  Crash		| -0.6889
  Polar		| 3.5425
  FragIndex	| 1
  FragRMSD	| 0.958