@<TRIPOS>MOLECULE
BindingDB_18929
 40 42 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         4.8761   18.5240   31.2203  C     
2    C         4.4585   19.5416   32.1071  C     
3    C         5.4083   20.1298   32.9802  C     
4    C         6.7623   19.7424   32.9112  C     
5    C         7.1966   18.7597   31.9939  C     
6    C         6.2325   18.1484   31.1639  C     
7    C         8.6288   18.3739   31.8945  C     
8    C         9.1985   17.9673   33.1927  C     
9    O        10.3572   18.4978   33.6498  O     
10   O         8.5637   17.0580   33.9667  O     
11   O         3.1352   19.9119   32.1115  O     
12   C         2.8545   21.0848   31.4672  C     
13   C         2.1133   22.0437   32.1786  C     
14   C         1.7702   23.2858   31.5938  C     
15   C         2.1701   23.5662   30.2662  C     
16   C         2.8670   22.5891   29.5314  C     
17   C         3.1976   21.3570   30.1242  C     
18   O         1.8760   24.7716   29.7042  O     
19   Cl        3.7615   17.7277   30.2230  Cl    
20   Cl        4.9630   21.2857   34.1378  Cl    
21   C         1.0302   24.2240   32.3477  C     
22   C        -0.9733   25.5707   32.7157  C     
23   C        -0.4188   26.0660   33.9115  C     
24   C         0.8568   25.6497   34.3201  C     
25   C         1.5776   24.7313   33.5470  C     
26   C        -0.2553   24.6476   31.9353  C     
27   O        -0.8234   24.1667   30.7998  O     
28   H         7.4397   20.1769   33.5391  H     
29   H         6.5171   17.4255   30.4949  H     
30   H         8.7774   17.5365   31.2094  H     
31   H         9.1964   19.2168   31.4930  H     
32   H         1.8127   21.8257   33.1377  H     
33   H         3.1264   22.7692   28.5603  H     
34   H         3.6943   20.6529   29.5750  H     
35   H         2.2397   24.7624   28.7901  H     
36   H        -1.8969   25.8841   32.4120  H     
37   H        -0.9365   26.7289   34.4880  H     
38   H         1.2589   26.0088   35.1841  H     
39   H         2.5061   24.4413   33.8659  H     
40   H        -1.7091   23.8127   31.0721  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1   19 1
     4    2    3 1
     5    2   11 1
     6    3    4 2
     7    3   20 1
     8    4    5 1
     9    5    6 2
    10    5    7 1
    11    7    8 1
    12    8    9 2
    13    8   10 1
    14   11   12 1
    15   12   13 1
    16   12   17 2
    17   13   14 2
    18   14   15 1
    19   14   21 1
    20   15   16 2
    21   15   18 1
    22   16   17 1
    23   21   25 2
    24   21   26 1
    25   22   23 1
    26   22   26 2
    27   23   24 2
    28   24   25 1
    29   26   27 1
    30    4   28 1
    31    6   29 1
    32    7   30 1
    33    7   31 1
    34   13   32 1
    35   16   33 1
    36   17   34 1
    37   18   35 1
    38   22   36 1
    39   23   37 1
    40   24   38 1
    41   25   39 1
    42   27   40 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.9300
  Crash		| -2.9527
  Polar		| 5.1808
  FragIndex	| 1
  FragRMSD	| 0.833