@<TRIPOS>MOLECULE
BindingDB_50332034
 26 27 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        21.8766   28.3852   19.2952  C     
2    C        21.1314   28.5529   18.1037  C     
3    C        20.8714   29.8459   17.6112  C     
4    C        22.4250   29.5147   19.9437  C     
5    C        22.1817   30.8131   19.4453  C     
6    C        21.3756   30.9744   18.2869  C     
7    O        21.1053   32.2485   17.8406  O     
8    C        21.6141   33.3497   18.4701  C     
9    C        22.4245   33.1931   19.5838  C     
10   C        22.6896   31.9594   20.0527  C     
11   O        21.3224   34.5831   18.0036  O     
12   O        20.6927   27.4640   17.4165  O     
13   C        22.0058   27.1303   19.8598  C     
14   O        23.1274   26.6295   19.9263  O     
15   C        20.8863   26.4600   20.5100  C     
16   C        20.1000   25.5262   19.5533  C     
17   H        20.3214   29.9654   16.7590  H     
18   H        22.9740   29.4023   20.8017  H     
19   H        22.8126   33.9861   20.0318  H     
20   H        23.2636   31.8674   20.8584  H     
21   H        21.4353   27.2550   16.8094  H     
22   H        21.2525   25.8769   21.3582  H     
23   H        20.1835   27.1986   20.9206  H     
24   H        19.4820   26.1329   18.8765  H     
25   H        19.4442   24.8706   20.1414  H     
26   H        20.7804   24.9026   18.9596  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    1   13 1
     4    2    3 1
     5    2   12 1
     6    3    6 2
     7    4    5 2
     8    5    6 1
     9    5   10 1
    10    6    7 1
    11    7    8 1
    12    8    9 1
    13    8   11 2
    14    9   10 2
    15   13   14 2
    16   13   15 1
    17   15   16 1
    18    3   17 1
    19    4   18 1
    20    9   19 1
    21   10   20 1
    22   12   21 1
    23   15   22 1
    24   15   23 1
    25   16   24 1
    26   16   25 1
    27   16   26 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 0.9436
  Crash		| -1.7141
  Polar		| 1.5232
  FragIndex	| 1
  FragRMSD	| 0.832