@<TRIPOS>MOLECULE
BindingDB_16419
 17 17 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        16.9238   23.8500   63.1772  C     
2    C        16.1001   23.1282   64.0770  C     
3    C        15.4922   21.9285   63.6970  C     
4    C        15.6746   21.4114   62.3992  C     
5    C        16.4741   22.1244   61.4756  C     
6    C        17.1167   23.3121   61.8657  C     
7    C        17.5298   25.1555   63.5722  C     
8    C        16.5273   26.2326   63.4609  C     
9    O        16.0306   26.8287   64.5771  O     
10   O        16.1014   26.6883   62.2528  O     
11   H        15.9685   23.4841   65.0254  H     
12   H        14.8948   21.4312   64.3532  H     
13   H        15.2017   20.5495   62.1088  H     
14   H        16.6149   21.7592   60.5216  H     
15   H        17.7023   23.8152   61.1884  H     
16   H        17.8926   25.0829   64.5937  H     
17   H        18.4054   25.3928   62.9383  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    3    4 2
     6    4    5 1
     7    5    6 2
     8    7    8 1
     9    8    9 2
    10    8   10 1
    11    2   11 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
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.4573
  Crash		| -0.1825
  Polar		| 4.2170
  FragIndex	| 1
  FragRMSD	| 0.059