
 FINDSITE201031013D

  6  5  0  0  0  0  0  0  0  0999 V2000
   27.5449  -18.9283  -13.4243 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9225  -20.2572  -13.0765 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6575  -20.3792  -11.6052 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3969  -19.2551  -14.5083 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.7371  -21.3891  -13.3877 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.4526  -21.1033  -11.5991 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
M  END
>  <MOLID> (3O4VA02)
3O4VA02

>  <SMILES_CANONICAL> (3O4VA02)
OCC(O)CO	

>  <FINGERPRINT> (3O4VA02)
0000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000001000000000000000100000000000000000000000000000000000000000000000000000000000000000000000000100000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000101000000000000000000000000000000000000000000000000000100000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000

>  <OB_MW> (3O4VA02)
92.0473

>  <OB_logP> (3O4VA02)
-1.6681

>  <OB_PSA> (3O4VA02)
60.69

>  <OB_MR> (3O4VA02)
20.0204

>  <OB_HBD> (3O4VA02)
3

>  <OB_HBA1> (3O4VA02)
3

>  <FUNCT_GROUPS> (3O4VA02)
   1   28.397  -19.255  -14.508   1  14     4
   2   27.737  -21.389  -13.388   1  14     5
   3   25.453  -21.103  -11.599   1  14     6

>  <FUNCT_GROUPS_CONNECT> (3O4VA02)
   1   2
   2   3

>  <FINDSITE_POCKET> (3O4VA02)
4

>  <FINDSITE_LIGAND_CLUSTER> (3O4VA02)
1

$$$$
