3KSW_VNF_A_490
  RCSB PDB12061709303D
Coordinates from PDB:3KSW:A:490 Model:1 without hydrogens
 29 32  0  0  0  0            999 V2000
    2.4800   26.9960   22.1910   O 0  0  0  0  0  0  0  0  0  0  0  0
   -4.3030   32.7550   15.8540  Cl 0  0  0  0  0  0  0  0  0  0  0  0
    2.5160   23.3050   24.3490   C 0  0  0  0  0  0  0  0  0  0  0  0
    3.7250   23.9930   24.3460   C 0  0  0  0  0  0  0  0  0  0  0  0
    1.7760   23.1940   23.1760   C 0  0  0  0  0  0  0  0  0  0  0  0
    6.9760   27.5360   18.3240   C 0  0  0  0  0  0  0  0  0  0  0  0
    4.1960   24.5710   23.1710   C 0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   23.7710   22.0010   C 0  0  0  0  0  0  0  0  0  0  0  0
   -2.1400   32.3620   17.4330   C 0  0  0  0  0  0  0  0  0  0  0  0
   -3.3480   30.3850   16.7690   C 0  0  0  0  0  0  0  0  0  0  0  0
    0.3670   27.2210   19.4200   C 0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   29.1850   20.3830   C 0  0  0  0  0  0  0  0  0  0  0  0
   -1.2460   31.5720   18.1460   C 0  0  0  0  0  0  0  0  0  0  0  0
   -2.4540   29.5950   17.4830   C 0  0  0  0  0  0  0  0  0  0  0  0
   -0.5440   28.0180   18.7380   C 0  0  0  0  0  0  0  0  0  0  0  0
    0.4680   29.9830   19.6990   C 0  0  0  0  0  0  0  0  0  0  0  0
    6.7940   27.2740   19.6170   C 0  0  0  0  0  0  0  0  0  0  0  0
    5.4000   26.0610   18.4670   C 0  0  0  0  0  0  0  0  0  0  0  0
    5.3010   25.7960   20.9360   C 0  0  0  0  0  0  0  0  0  0  0  0
    6.1210   26.7930   17.6210   N 0  0  0  0  0  0  0  0  0  0  0  0
    2.9660   26.0470   20.1910   N 0  0  0  0  0  0  0  0  0  0  0  0
    2.3170   26.9040   20.9770   C 0  0  0  0  0  0  0  0  0  0  0  0
   -3.1920   31.7680   16.7440   C 0  0  0  0  0  0  0  0  0  0  0  0
    1.3250   27.8020   20.2420   C 0  0  0  0  0  0  0  0  0  0  0  0
   -1.4060   30.1890   18.1790   C 0  0  0  0  0  0  0  0  0  0  0  0
   -0.4990   29.4000   18.8810   C 0  0  0  0  0  0  0  0  0  0  0  0
    3.4550   24.4590   21.9970   C 0  0  0  0  0  0  0  0  0  0  0  0
    3.9630   25.0890   20.6970   C 0  0  0  0  0  0  0  0  0  0  0  0
    5.8250   26.3690   19.6880   N 0  0  0  0  0  0  0  0  0  0  0  0
 22  1  2  0  0  0  0
  2 23  1  0  0  0  0
  5  3  2  0  0  0  0
  4  3  1  0  0  0  0
  7  4  2  0  0  0  0
  8  5  1  0  0  0  0
 20  6  1  0  0  0  0
  6 17  2  0  0  0  0
 27  7  1  0  0  0  0
 27  8  2  0  0  0  0
 23  9  2  0  0  0  0
  9 13  1  0  0  0  0
 23 10  1  0  0  0  0
 10 14  2  0  0  0  0
 15 11  2  0  0  0  0
 11 24  1  0  0  0  0
 16 12  1  0  0  0  0
 24 12  2  0  0  0  0
 13 25  2  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 26 16  2  0  0  0  0
 17 29  1  0  0  0  0
 20 18  2  0  0  0  0
 18 29  1  0  0  0  0
 29 19  1  0  0  0  0
 28 19  1  0  0  0  0
 21 28  1  0  0  0  0
 21 22  1  0  0  0  0
 24 22  1  0  0  0  0
 25 26  1  0  0  0  0
 28 27  1  0  0  0  0
A    1
OAA
A    2
CLAB
A    3
CAC
A    4
CAD
A    5
CAE
A    6
CAF
A    7
CAG
A    8
CAH
A    9
CAI
A   10
CAJ
A   11
CAK
A   12
CAL
A   13
CAM
A   14
CAN
A   15
CAO
A   16
CAP
A   17
CAQ
A   18
CAR
A   19
CAS
A   20
NAT
A   21
NAU
A   22
CAV
A   23
CAW
A   24
CAX
A   25
CAY
A   26
CAZ
A   27
CBA
A   28
CBB
A   29
NBC
M  END
>  <InstanceId>
3KSW_VNF_A_490

>  <ChemCompId>
VNF

>  <PdbId>
3KSW

>  <ChainId>
A

>  <ResidueNumber>
490

>  <InsertionCode>


>  <Model>
1

>  <AltIds>


>  <MissingHeavyAtoms>
0

>  <ObservedFormula>
C24 N3 O Cl

>  <Name>
4'-chloro-N-[(1R)-2-(1H-imidazol-1-yl)-1-phenylethyl]biphenyl-4-carboxamide

>  <SystematicName>
4-(4-chlorophenyl)-N-[(1R)-2-imidazol-1-yl-1-phenyl-ethyl]benzamide

>  <Synonyms>


>  <Type>
NON-POLYMER

>  <Formula>
C24 H20 Cl N3 O

>  <MolecularWeight>
401.888

>  <ModifiedDate>
2011-06-04

>  <Parent>


>  <OneLetterCode>


>  <SubcomponentList>


>  <AmbiguousFlag>
N

>  <InChI>
InChI=1S/C24H20ClN3O/c25-22-12-10-19(11-13-22)18-6-8-21(9-7-18)24(29)27-23(16-28-15-14-26-17-28)20-4-2-1-3-5-20/h1-15,17,23H,16H2,(H,27,29)/t23-/m0/s1

>  <InChIKey>
CIFIVCCKVZFJFT-QHCPKHFHSA-N

>  <SMILES>
c1ccc(cc1)[C@H](Cn2ccnc2)NC(=O)c3ccc(cc3)c4ccc(cc4)Cl

$$$$
