@<TRIPOS>MOLECULE
BindingDB_16426
 18 18 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.6346   24.6733   63.4052  C     
2    C        17.7912   23.5344   63.5252  C     
3    C        18.1446   22.3161   62.9085  C     
4    C        19.3468   22.2054   62.1867  C     
5    C        20.2050   23.3163   62.0832  C     
6    C        19.8454   24.5405   62.6802  C     
7    C        18.3072   25.9625   64.0814  C     
8    C        16.9758   26.4917   63.7228  C     
9    O        16.6929   26.8515   62.4525  O     
10   O        16.0453   26.7455   64.6735  O     
11   O        16.6575   23.5529   64.2790  O     
12   H        17.5257   21.5065   62.9909  H     
13   H        19.5923   21.3139   61.7470  H     
14   H        21.0925   23.2211   61.5871  H     
15   H        20.4932   25.3305   62.5984  H     
16   H        18.3441   25.7953   65.1595  H     
17   H        19.0493   26.7359   63.8532  H     
18   H        16.8895   24.0367   65.1012  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    2   11 1
     6    3    4 2
     7    4    5 1
     8    5    6 2
     9    7    8 1
    10    8    9 2
    11    8   10 1
    12    3   12 1
    13    4   13 1
    14    5   14 1
    15    6   15 1
    16    7   16 1
    17    7   17 1
    18   11   18 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.6585
  Crash		| -0.1603
  Polar		| 4.3062
  FragIndex	| 1
  FragRMSD	| 0.136