@<TRIPOS>MOLECULE
BindingDB_14676
 19 19 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        17.5994   27.7210   18.7761  C     
2    C        16.8910   26.5678   19.2110  C     
3    C        17.5234   25.5641   19.9660  C     
4    C        18.8841   25.6833   20.3000  C     
5    C        19.6078   26.8125   19.8754  C     
6    C        18.9738   27.8174   19.1207  C     
7    C        16.9621   28.8227   17.9771  C     
8    C        17.3507   28.7604   16.5497  C     
9    O        17.1019   29.8147   15.7403  O     
10   O        17.6861   27.5938   15.9569  O     
11   C        15.4877   28.9274   18.1170  C     
12   O        14.6440   28.9799   17.0610  O     
13   O        14.9454   28.9641   19.3528  O     
14   H        15.9021   26.4466   18.9889  H     
15   H        16.9915   24.7462   20.2742  H     
16   H        19.3413   24.9611   20.8611  H     
17   H        20.5974   26.9022   20.1191  H     
18   H        19.5264   28.6282   18.8237  H     
19   H        17.3483   29.7713   18.3647  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    7   11 1
    10    8    9 2
    11    8   10 1
    12   11   12 2
    13   11   13 1
    14    2   14 1
    15    3   15 1
    16    4   16 1
    17    5   17 1
    18    6   18 1
    19    7   19 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 10.3602
  Crash		| -0.5857
  Polar		| 10.4439
  FragIndex	| 1
  FragRMSD	| 0.282