@<TRIPOS>MOLECULE
BindingDB_50332024
 26 27 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        22.9742   28.5200   19.2185  C     
2    C        22.0228   28.4557   18.1697  C     
3    C        21.4155   29.6355   17.6662  C     
4    C        23.2489   29.7662   19.8181  C     
5    C        22.5744   30.9411   19.4313  C     
6    C        21.6377   30.8423   18.3629  C     
7    O        21.0084   32.0304   18.0103  O     
8    C        21.2549   33.2224   18.6241  C     
9    C        22.2027   33.3061   19.6240  C     
10   C        22.8370   32.1784   20.0122  C     
11   O        20.5805   34.3078   18.1602  O     
12   O        21.8115   27.2882   17.5088  O     
13   C        20.7231   29.6590   16.4506  C     
14   O        19.8004   30.4502   16.2714  O     
15   C        21.2641   28.9817   15.2813  C     
16   C        21.2560   26.1758   18.2707  C     
17   H        23.4722   27.6724   19.5201  H     
18   H        23.9760   29.8084   20.5478  H     
19   H        22.4007   34.1623   20.0636  H     
20   H        23.5066   32.2482   20.7357  H     
21   H        22.3292   29.1962   15.1828  H     
22   H        20.7759   29.2597   14.3512  H     
23   H        21.1384   27.9115   15.3953  H     
24   H        21.9420   25.9058   19.0819  H     
25   H        21.2051   25.3590   17.5579  H     
26   H        20.2515   26.4005   18.6832  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    2    3 1
     4    2   12 1
     5    3    6 2
     6    3   13 1
     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   12   16 1
    16   13   14 2
    17   13   15 1
    18    1   17 1
    19    4   18 1
    20    9   19 1
    21   10   20 1
    22   15   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	| 2.0923
  Crash		| -0.9396
  Polar		| 1.8516
  FragIndex	| 1
  FragRMSD	| 0.587