@<TRIPOS>MOLECULE
BindingDB_18862
 29 30 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.8941   41.7720   28.7408  C     
2    C        18.4173   42.8460   29.5178  C     
3    C        18.5304   42.8040   30.9216  C     
4    C        19.1056   41.6771   31.5402  C     
5    C        19.5927   40.6098   30.7589  C     
6    C        19.4774   40.6372   29.3415  C     
7    O        19.9058   39.6569   28.4635  O     
8    C        20.2344   38.4328   28.9771  C     
9    C        21.5855   38.1289   29.2418  C     
10   C        19.2345   37.4806   29.2766  C     
11   C        19.5798   36.2688   29.9031  C     
12   C        20.9274   35.9759   30.2195  C     
13   C        21.9259   36.9145   29.8667  C     
14   I        23.0596   39.4956   28.8149  I     
15   I        17.2579   37.8810   28.8913  I     
16   C        21.2974   34.7031   30.8955  C     
17   I        17.5703   44.4688   28.5829  I     
18   O        18.0856   43.8426   31.6736  O     
19   C        21.5633   33.6507   29.9019  C     
20   O        20.7777   32.5513   29.8274  O     
21   O        22.6262   33.7582   29.0711  O     
22   H        18.8053   41.8121   27.7253  H     
23   H        19.1727   41.6338   32.5599  H     
24   H        20.0155   39.8104   31.2315  H     
25   H        18.8398   35.6095   30.1541  H     
26   H        22.9082   36.7335   30.0880  H     
27   H        22.1931   34.8428   31.5039  H     
28   H        20.5013   34.3831   31.5727  H     
29   H        18.7406   43.9512   32.3930  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2   17 1
     5    3    4 2
     6    3   18 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   19 1
    21   19   20 2
    22   19   21 1
    23    1   22 1
    24    4   23 1
    25    5   24 1
    26   11   25 1
    27   13   26 1
    28   16   27 1
    29   16   28 1
    30   18   29 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.4212
  Crash		| -1.3591
  Polar		| 2.7242
  FragIndex	| 1
  FragRMSD	| 0.321