@<TRIPOS>MOLECULE
BindingDB_25403
 25 26 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        49.4058   95.1029   34.2106  C     
2    C        49.4162   96.5154   34.1941  C     
3    C        50.3084   97.2340   35.0209  C     
4    C        51.2066   96.5219   35.8452  C     
5    C        51.1890   95.1114   35.8689  C     
6    C        50.3147   94.3972   35.0234  C     
7    O        48.5682   94.4036   33.4021  O     
8    O        50.3334   93.0275   34.9598  O     
9    C        51.4129   92.4130   34.3651  C     
10   C        51.8340   91.1577   34.8611  C     
11   C        52.0837   92.9439   33.2340  C     
12   C        53.1727   92.2622   32.6527  C     
13   C        53.5802   91.0155   33.1617  C     
14   C        52.9043   90.4632   34.2671  C     
15   Cl       51.0710   90.4541   36.2047  Cl    
16   Cl       54.8831   90.1950   32.4562  Cl    
17   C        50.3238   98.5330   34.9944  C     
18   N        50.3321   99.6870   34.9650  N     
19   H        48.7905   97.0140   33.5553  H     
20   H        51.8987   97.0149   36.4195  H     
21   H        51.8455   94.6075   36.4722  H     
22   H        48.5629   94.8705   32.5381  H     
23   H        51.7947   93.8355   32.8359  H     
24   H        53.6700   92.6797   31.8545  H     
25   H        53.2050   89.5617   34.6402  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    3    4 2
     6    3   17 1
     7    4    5 1
     8    5    6 2
     9    6    8 1
    10    8    9 1
    11    9   10 2
    12    9   11 1
    13   10   14 1
    14   10   15 1
    15   11   12 2
    16   12   13 1
    17   13   14 2
    18   13   16 1
    19   17   18 3
    20    2   19 1
    21    4   20 1
    22    5   21 1
    23    7   22 1
    24   11   23 1
    25   12   24 1
    26   14   25 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.8160
  Crash		| -0.5230
  Polar		| 0.0024
  FragIndex	| 1
  FragRMSD	| 0.142