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


@<TRIPOS>ATOM
1    C        16.8617   23.9251   63.0844  C     
2    C        16.8739   23.3207   61.8005  C     
3    C        16.2647   22.0652   61.5991  C     
4    C        15.6352   21.4024   62.6664  C     
5    C        15.6105   21.9938   63.9405  C     
6    C        16.2177   23.2459   64.1475  C     
7    C        17.5037   25.2481   63.3200  C     
8    C        16.5087   26.3332   63.3819  C     
9    O        16.0580   26.7832   64.5747  O     
10   O        16.0162   26.8871   62.2506  O     
11   O        17.4686   23.9432   60.7486  O     
12   H        16.2768   21.6296   60.6741  H     
13   H        15.1943   20.4916   62.5154  H     
14   H        15.1514   21.5127   64.7171  H     
15   H        16.1900   23.6551   65.0842  H     
16   H        18.0734   25.2060   64.2517  H     
17   H        18.2117   25.4965   62.5258  H     
18   H        16.9591   23.6794   59.9528  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	| 4.2941
  Crash		| -0.3403
  Polar		| 4.2874
  FragIndex	| 1
  FragRMSD	| 0.194