@<TRIPOS>MOLECULE
BindingDB_18864
 32 33 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         3.1173   17.1438   96.3640  C     
2    C         2.0081   17.3642   97.1967  C     
3    C         1.2351   18.5403   97.0422  C     
4    C         1.5775   19.4706   96.0472  C     
5    C         2.6855   19.2404   95.2121  C     
6    C         3.4879   18.0812   95.3770  C     
7    O         4.5653   17.7634   94.5781  O     
8    C         5.3463   18.7886   94.0964  C     
9    C         6.3463   19.3999   94.8865  C     
10   C         5.2452   19.1328   92.7286  C     
11   C         6.1084   20.0930   92.1665  C     
12   C         7.1191   20.7047   92.9474  C     
13   C         7.2136   20.3590   94.3218  C     
14   I         6.5980   18.8914   96.8573  I     
15   I         3.8590   18.2190   91.5223  I     
16   C         8.1187   21.6145   92.3057  C     
17   O         0.1535   18.7933   97.8302  O     
18   C         7.4913   22.8949   91.6946  C     
19   C         8.4900   23.8291   91.1277  C     
20   O         9.4568   23.3705   90.2972  O     
21   O         8.1981   25.1520   91.0733  O     
22   I         1.5177   15.9277   98.5904  I     
23   H         3.6801   16.2975   96.4856  H     
24   H         1.0053   20.3029   95.9207  H     
25   H         2.9104   19.9293   94.4872  H     
26   H         6.0223   20.3194   91.1737  H     
27   H         7.9254   20.8003   94.9101  H     
28   H         8.8772   21.9030   93.0363  H     
29   H         8.6258   21.0498   91.5212  H     
30   H         0.3736   18.4270   98.7197  H     
31   H         6.8000   22.6038   90.8894  H     
32   H         6.9174   23.4021   92.4771  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2   22 1
     5    3    4 2
     6    3   17 1
     7    4    5 1
     8    5    6 2
     9    6    7 1
    10    7    8 1
    11    8    9 2
    12    8   10 1
    13    9   13 1
    14    9   14 1
    15   10   11 2
    16   10   15 1
    17   11   12 1
    18   12   13 2
    19   12   16 1
    20   16   18 1
    21   18   19 1
    22   19   20 2
    23   19   21 1
    24    1   23 1
    25    4   24 1
    26    5   25 1
    27   11   26 1
    28   13   27 1
    29   16   28 1
    30   16   29 1
    31   17   30 1
    32   18   31 1
    33   18   32 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.5941
  Crash		| -1.7765
  Polar		| 3.4910
  FragIndex	| 1
  FragRMSD	| 0.607