@<TRIPOS>MOLECULE
BindingDB_50174768
 25 26 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        49.4112   96.4505   34.1375  C     
2    C        50.1808   97.2585   34.9961  C     
3    C        51.0739   96.6564   35.9030  C     
4    C        51.1937   95.2560   35.9569  C     
5    C        50.4294   94.4459   35.0918  C     
6    C        49.5298   95.0472   34.1882  C     
7    O        50.5035   93.0782   35.1583  O     
8    C        51.4895   92.4274   34.4468  C     
9    C        52.1119   92.9683   33.2946  C     
10   C        53.0544   92.2263   32.5626  C     
11   C        53.3713   90.9145   32.9491  C     
12   C        52.7579   90.3597   34.0895  C     
13   C        51.8248   91.1078   34.8359  C     
14   O        48.7983   94.2615   33.3597  O     
15   Cl       50.0141   98.9427   34.9426  Cl    
16   Cl       51.1096   90.3855   36.1939  Cl    
17   O        54.2654   90.2044   32.2131  O     
18   H        48.7618   96.8814   33.4771  H     
19   H        51.6334   97.2327   36.5319  H     
20   H        51.8338   94.8272   36.6276  H     
21   H        51.8812   93.9096   32.9789  H     
22   H        53.5008   92.6406   31.7423  H     
23   H        52.9931   89.4060   34.3729  H     
24   H        48.6108   94.8034   32.5644  H     
25   H        53.8346   89.3482   32.0231  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2   15 1
     5    3    4 2
     6    4    5 1
     7    5    6 2
     8    5    7 1
     9    6   14 1
    10    7    8 1
    11    8    9 2
    12    8   13 1
    13    9   10 1
    14   10   11 2
    15   11   12 1
    16   11   17 1
    17   12   13 2
    18   13   16 1
    19    1   18 1
    20    3   19 1
    21    4   20 1
    22    9   21 1
    23   10   22 1
    24   12   23 1
    25   14   24 1
    26   17   25 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.1407
  Crash		| -0.7025
  Polar		| 0.0033
  FragIndex	| 1
  FragRMSD	| 0.183