@<TRIPOS>MOLECULE
BindingDB_26998
 28 29 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.0572    6.8864   15.3425  C     
2    C        15.8862    4.3401   14.5122  C     
3    C        15.2325    4.4838   15.7558  C     
4    C        14.8361    5.7733   16.1816  C     
5    C        16.1207    5.4598   13.6916  C     
6    C        15.6860    6.7402   14.0918  C     
7    C        16.4440    7.9145   12.0125  C     
8    N        13.5256    2.9618   17.5485  N     
9    S        14.9887    3.0518   16.7284  S     
10   O        15.1397    1.6894   15.9340  O     
11   O        16.1184    3.0153   17.8397  O     
12   Cl       14.1247    6.0771   17.6927  Cl    
13   N        15.8708    7.8536   13.3315  N     
14   N        17.4051    6.8802   11.7719  N     
15   C        17.0634    9.3225   11.7864  C     
16   Cl       17.9133    9.4543   10.2466  Cl    
17   Cl       15.8313   10.5839   11.7675  Cl    
18   S        17.0382    5.3079   12.2272  S     
19   O        16.1795    4.5878   11.0995  O     
20   O        18.3658    4.5133   12.5965  O     
21   H        14.7672    7.8182   15.6596  H     
22   H        16.2188    3.4230   14.2034  H     
23   H        15.6370    7.7812   11.2855  H     
24   H        13.5204    2.8986   18.5174  H     
25   H        12.6928    2.9005   17.0547  H     
26   H        15.5306    8.6835   13.6978  H     
27   H        18.0093    6.9931   11.0183  H     
28   H        17.7709    9.5515   12.5866  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1    6 1
     3    2    3 2
     4    2    5 1
     5    3    4 1
     6    3    9 1
     7    4   12 1
     8    5    6 2
     9    5   18 1
    10    6   13 1
    11    7   13 1
    12    7   14 1
    13    7   15 1
    14    8    9 am
    15    9   10 2
    16    9   11 2
    17   14   18 1
    18   15   16 1
    19   15   17 1
    20   18   19 2
    21   18   20 2
    22    1   21 1
    23    2   22 1
    24    7   23 1
    25    8   24 1
    26    8   25 1
    27   13   26 1
    28   14   27 1
    29   15   28 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.3625
  Crash		| -0.7146
  Polar		| 4.4243
  FragIndex	| 1
  FragRMSD	| 0.846