
 FINDSITE201031013D

  6  5  0  0  0  0  0  0  0  0999 V2000
    9.5701  -32.4409   -5.1399 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9895  -32.2450   -5.6102 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0460  -31.8327   -7.0512 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6934  -33.4948   -4.2009 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8002  -33.4196   -5.5428 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1336  -30.9421   -7.0428 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> (3O4VB00)
3O4VB00

>  <SMILES_CANONICAL> (3O4VB00)
OCC(O)CO	

>  <FINGERPRINT> (3O4VB00)
0000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000001000000000000000100000000000000000000000000000000000000000000000000000000000000000000000000100000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000101000000000000000000000000000000000000000000000000000100000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000

>  <OB_MW> (3O4VB00)
92.0473

>  <OB_logP> (3O4VB00)
-1.6681

>  <OB_PSA> (3O4VB00)
60.69

>  <OB_MR> (3O4VB00)
20.0204

>  <OB_HBD> (3O4VB00)
3

>  <OB_HBA1> (3O4VB00)
3

>  <FUNCT_GROUPS> (3O4VB00)
   1    9.693  -33.495   -4.201   1  14     4
   2   11.800  -33.420   -5.543   1  14     5
   3   12.134  -30.942   -7.043   1  14     6

>  <FUNCT_GROUPS_CONNECT> (3O4VB00)
   1   2
   2   3

>  <FINDSITE_POCKET> (3O4VB00)
3

>  <FINDSITE_LIGAND_CLUSTER> (3O4VB00)
1

$$$$
