@<TRIPOS>MOLECULE
BindingDB_16423
 20 20 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.6034   24.6683   63.4253  C     
2    C        17.7501   23.5280   63.5518  C     
3    C        18.1403   22.3034   62.9568  C     
4    C        19.3367   22.1979   62.2288  C     
5    C        20.1690   23.3166   62.0877  C     
6    C        19.8057   24.5353   62.6837  C     
7    C        18.3210   25.9791   64.0878  C     
8    C        17.0234   26.5630   63.6990  C     
9    O        16.7516   26.8623   62.4065  O     
10   O        16.0914   26.8368   64.6399  O     
11   C        16.4566   23.5753   64.2851  C     
12   H        17.5523   21.4697   63.0408  H     
13   H        19.6001   21.3075   61.8011  H     
14   H        21.0428   23.2442   61.5618  H     
15   H        20.4428   25.3271   62.5770  H     
16   H        18.3504   25.8295   65.1693  H     
17   H        19.0876   26.7245   63.8616  H     
18   H        16.6066   23.9750   65.2884  H     
19   H        15.9912   22.5930   64.3869  H     
20   H        15.7584   24.2197   63.7490  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
    19   11   19 1
    20   11   20 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.5455
  Crash		| -0.1681
  Polar		| 4.2744
  FragIndex	| 1
  FragRMSD	| 0.157