@<TRIPOS>MOLECULE
BindingDB_50186231
 30 30 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         1.3908    0.5603   27.6034  C     
2    C         2.6075    1.1055   27.0018  C     
3    O         2.9959    2.2740   27.7557  O     
4    C         4.2985    2.6498   27.5147  C     
5    C         5.3106    2.3722   28.4618  C     
6    Cl        4.8441    1.7079   29.9617  Cl    
7    C         6.6675    2.6044   28.1320  C     
8    Cl        7.9024    2.1755   29.2422  Cl    
9    C         7.0070    3.1138   26.8472  C     
10   C         5.9725    3.4159   25.9280  C     
11   C         4.6289    3.2173   26.2677  C     
12   C         8.3133    3.1886   26.3932  C     
13   C         9.0795    4.3023   26.5077  C     
14   C         9.7469    4.8174   25.3029  C     
15   C        10.9616    3.9717   24.8496  C     
16   C         9.2432    4.8606   27.7259  C     
17   O         8.7382    2.2848   25.6832  O     
18   O         1.3210    0.4089   28.9511  O     
19   O         0.3650    0.1026   26.8311  O     
20   H         3.3709    0.3221   27.0162  H     
21   H         2.3968    1.3867   25.9604  H     
22   H         6.1854    3.7496   24.9723  H     
23   H         3.8958    3.4041   25.5778  H     
24   H         9.0288    4.8543   24.4738  H     
25   H        10.0833    5.8508   25.4738  H     
26   H        11.7062    3.8940   25.6527  H     
27   H        11.4427    4.4433   23.9837  H     
28   H        10.6582    2.9604   24.5475  H     
29   H         9.8051    5.6770   27.8378  H     
30   H         8.7815    4.4977   28.5412  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1   18 2
     3    1   19 1
     4    2    3 1
     5    3    4 1
     6    4    5 2
     7    4   11 1
     8    5    6 1
     9    5    7 1
    10    7    8 1
    11    7    9 2
    12    9   10 1
    13    9   12 1
    14   10   11 2
    15   12   13 1
    16   12   17 2
    17   13   14 1
    18   13   16 2
    19   14   15 1
    20    2   20 1
    21    2   21 1
    22   10   22 1
    23   11   23 1
    24   14   24 1
    25   14   25 1
    26   15   26 1
    27   15   27 1
    28   15   28 1
    29   16   29 1
    30   16   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 1.0461
  Crash		| -0.6944
  Polar		| 1.0288
  FragIndex	| 1
  FragRMSD	| 1.139