
 FINDSITE201031013D

  6  5  0  0  0  0  0  0  0  0999 V2000
   27.6340  -46.9724   -5.4128 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9449  -47.0064   -4.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6006  -46.3294   -4.2303 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7598  -47.9066   -5.5064 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.7288  -46.3338   -2.9795 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.8669  -44.9700   -4.6101 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> (3O4VA01)
3O4VA01

>  <SMILES_CANONICAL> (3O4VA01)
OCC(O)CO	

>  <FINGERPRINT> (3O4VA01)
0000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000001000000000000000100000000000000000000000000000000000000000000000000000000000000000000000000100000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000101000000000000000000000000000000000000000000000000000100000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000

>  <OB_MW> (3O4VA01)
92.0473

>  <OB_logP> (3O4VA01)
-1.6681

>  <OB_PSA> (3O4VA01)
60.69

>  <OB_MR> (3O4VA01)
20.0204

>  <OB_HBD> (3O4VA01)
3

>  <OB_HBA1> (3O4VA01)
3

>  <FUNCT_GROUPS> (3O4VA01)
   1   28.760  -47.907   -5.506   1  14     4
   2   27.729  -46.334   -2.979   1  14     5
   3   25.867  -44.970   -4.610   1  14     6

>  <FUNCT_GROUPS_CONNECT> (3O4VA01)
   1   2
   2   3

>  <FINDSITE_POCKET> (3O4VA01)
5

>  <FINDSITE_LIGAND_CLUSTER> (3O4VA01)
1

$$$$
