@<TRIPOS>MOLECULE
BindingDB_14219
 26 27 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        44.6198   15.2148    1.9160  C     
2    C        45.6014   14.5428    2.6777  C     
3    S        44.1241   14.1480    0.6561  S     
4    C        45.1189   12.8304    1.1169  C     
5    C        45.8497   13.2143    2.2553  C     
6    C        46.7415   12.2905    2.8382  C     
7    C        46.8923   11.0088    2.2727  C     
8    C        46.1301   10.6327    1.1415  C     
9    C        45.2420   11.5523    0.5451  C     
10   Cl       46.2726    9.0815    0.4945  Cl    
11   O        46.2064   15.0965    3.7730  O     
12   C        47.1787   16.1327    3.5048  C     
13   C        46.9561   17.2004    4.4997  C     
14   O        47.7952   17.3995    5.5365  O     
15   O        45.7800   17.8609    4.5273  O     
16   C        48.6185   15.5824    3.6091  C     
17   C        44.0938   16.5115    2.0995  C     
18   O        44.4275   17.2832    3.1615  O     
19   O        43.1246   16.9938    1.2951  O     
20   H        47.2738   12.5528    3.6683  H     
21   H        47.5436   10.3456    2.7057  H     
22   H        44.6841   11.2944   -0.2734  H     
23   H        47.0545   16.5819    2.5121  H     
24   H        48.7886   15.2216    4.6195  H     
25   H        49.3435   16.3581    3.3771  H     
26   H        48.7587   14.7574    2.9107  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    3 1
     3    1   17 1
     4    2    5 1
     5    2   11 1
     6    3    4 1
     7    4    5 2
     8    4    9 1
     9    5    6 1
    10    6    7 2
    11    7    8 1
    12    8    9 2
    13    8   10 1
    14   11   12 1
    15   12   13 1
    16   12   16 1
    17   13   14 2
    18   13   15 1
    19   17   18 2
    20   17   19 1
    21    6   20 1
    22    7   21 1
    23    9   22 1
    24   12   23 1
    25   16   24 1
    26   16   25 1
    27   16   26 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.3666
  Crash		| -2.1204
  Polar		| 8.0964
  FragIndex	| 1
  FragRMSD	| 1.046