1V79_FR7_A_1001
  RCSB PDB12061704183D
Coordinates from PDB:1V79:A:1001 Model:1 without hydrogens
 22 23  0  0  0  0            999 V2000
   62.0880   65.4480   46.3820   C 0  0  0  0  0  0  0  0  0  0  0  0
   61.0600   65.2680   45.3450   N 0  0  0  0  0  0  0  0  0  0  0  0
   61.6880   65.5840   44.2340   C 0  0  0  0  0  0  0  0  0  0  0  0
   62.9900   65.8200   44.3710   N 0  0  0  0  0  0  0  0  0  0  0  0
   63.2640   65.7220   45.7940   C 0  0  0  0  0  0  0  0  0  0  0  0
   64.5920   65.8730   46.4960   C 0  0  0  0  0  0  0  0  0  0  0  0
   64.4650   66.0780   47.6370   O 0  0  0  0  0  0  0  0  0  0  0  0
   65.7620   65.8040   45.9000   N 0  0  0  0  0  0  0  0  0  0  0  0
   59.6230   65.2920   45.6040   C 0  0  0  0  0  0  0  0  0  0  0  0
   59.1240   63.8220   45.9310   C 0  0  0  0  0  0  0  0  0  0  0  0
   59.3510   62.6680   45.0710   O 0  0  0  0  0  0  0  0  0  0  0  0
   59.2300   66.3100   46.7330   C 0  0  0  0  0  0  0  0  0  0  0  0
   59.8110   67.7760   46.6780   C 0  0  0  0  0  0  0  0  0  0  0  0
   59.3510   68.6040   47.8340   C 0  0  0  0  0  0  0  0  0  0  0  0
   58.1360   69.2790   47.7600   C 0  0  0  0  0  0  0  0  0  0  0  0
   57.5320   69.8640   48.8940   C 0  0  0  0  0  0  0  0  0  0  0  0
   58.1750   69.8190   50.1350   C 0  0  0  0  0  0  0  0  0  0  0  0
   59.4470   69.2760   50.1570   C 0  0  0  0  0  0  0  0  0  0  0  0
   60.0210   68.6790   49.0320   C 0  0  0  0  0  0  0  0  0  0  0  0
   60.3630   69.4420   51.6430  Cl 0  0  0  0  0  0  0  0  0  0  0  0
   61.6070   68.0660   49.1230  Cl 0  0  0  0  0  0  0  0  0  0  0  0
   59.6760   63.2060   47.2370   C 0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  2  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
A    1
C1
A    2
N2
A    3
C3
A    4
N4
A    5
C5
A    6
C8
A    7
O9
A    8
N10
A    9
C13
A   10
C14
A   11
O15
A   12
C18
A   13
C2
A   14
C22
A   15
C25
A   16
C26
A   17
C27
A   18
C28
A   19
C29
A   20
CL1
A   21
CL2
A   22
C9
M  END
>  <InstanceId>
1V79_FR7_A_1001

>  <ChemCompId>
FR7

>  <PdbId>
1V79

>  <ChainId>
A

>  <ResidueNumber>
1001

>  <InsertionCode>


>  <Model>
1

>  <AltIds>


>  <MissingHeavyAtoms>
0

>  <ObservedFormula>
C15 N3 O2 Cl2

>  <Name>
1-{(1R,2S)-1-[2-(2,3,-DICHLOROPHENYL)ETHYL]-2-HYDROXYPROPYL}-1H-IMIDAZOLE-4-CARBOXAMIDE

>  <SystematicName>
1-[(3R,4S)-1-(2,3-dichlorophenyl)-4-hydroxy-pentan-3-yl]imidazole-4-carboxamide

>  <Synonyms>
FR239087

>  <Type>
NON-POLYMER

>  <Formula>
C15 H17 Cl2 N3 O2

>  <MolecularWeight>
342.22

>  <ModifiedDate>
2011-06-04

>  <Parent>


>  <OneLetterCode>


>  <SubcomponentList>


>  <AmbiguousFlag>
N

>  <InChI>
InChI=1S/C15H17Cl2N3O2/c1-9(21)13(20-7-12(15(18)22)19-8-20)6-5-10-3-2-4-11(16)14(10)17/h2-4,7-9,13,21H,5-6H2,1H3,(H2,18,22)/t9-,13+/m0/s1

>  <InChIKey>
HCJYSIGJDKNVRU-TVQRCGJNSA-N

>  <SMILES>
C[C@@H]([C@@H](CCc1cccc(c1Cl)Cl)n2cc(nc2)C(=O)N)O

$$$$
