@<TRIPOS>MOLECULE
BindingDB_16431
 23 24 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.6877   24.7481   63.3273  C     
2    C        17.8039   23.6493   63.4144  C     
3    C        18.1696   22.3881   62.9077  C     
4    C        19.9489   24.5615   62.7034  C     
5    C        18.3569   26.0453   63.9762  C     
6    C        16.9897   26.5058   63.6838  C     
7    O        16.1001   26.7418   64.6803  O     
8    O        16.5931   26.7677   62.4079  O     
9    C        20.3399   23.2953   62.2178  C     
10   C        19.4396   22.1949   62.3194  C     
11   C        19.8641   20.9326   61.8907  C     
12   C        21.1227   20.7535   61.4429  C     
13   C        21.9991   21.8064   61.3597  C     
14   C        21.6267   23.0562   61.7132  C     
15   H        16.9073   23.7595   63.8868  H     
16   H        17.5160   21.6097   63.0019  H     
17   H        20.6078   25.3434   62.6362  H     
18   H        18.4810   25.9290   65.0635  H     
19   H        19.0502   26.8425   63.6566  H     
20   H        19.2526   20.1446   61.9469  H     
21   H        21.4262   19.8474   61.1669  H     
22   H        22.9296   21.6405   61.0376  H     
23   H        22.2924   23.7928   61.6504  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    1    5 1
     4    2    3 1
     5    3   10 2
     6    4    9 2
     7    5    6 1
     8    6    7 2
     9    6    8 1
    10    9   10 1
    11    9   14 1
    12   10   11 1
    13   11   12 2
    14   12   13 1
    15   13   14 2
    16    2   15 1
    17    3   16 1
    18    4   17 1
    19    5   18 1
    20    5   19 1
    21   11   20 1
    22   12   21 1
    23   13   22 1
    24   14   23 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.6730
  Crash		| -0.1631
  Polar		| 4.3137
  FragIndex	| 1
  FragRMSD	| 1.053