4A97_ZPC_A_1318
  RCSB PDB12061711383D
Coordinates from PDB:4A97:A:1318 Model:1 without hydrogens
 27 30  0  0  0  0            999 V2000
 -125.9910  -46.7830  -67.2540   C 0  0  0  0  0  0  0  0  0  0  0  0
 -126.4290  -45.5530  -67.8800   N 0  0  0  0  0  0  0  0  0  0  0  0
 -127.8070  -45.3980  -68.3020   C 0  0  0  0  0  0  0  0  0  0  0  0
 -128.0660  -43.9960  -68.6860   C 0  0  0  0  0  0  0  0  0  0  0  0
 -127.0470  -43.0860  -69.2060   N 0  0  0  0  0  0  0  0  0  0  0  0
 -125.7340  -43.2760  -68.7670   C 0  0  0  0  0  0  0  0  0  0  0  0
 -125.5010  -44.7570  -68.6670   C 0  0  0  0  0  0  0  0  0  0  0  0
 -127.8130  -41.8490  -69.2620   C 0  0  0  0  0  0  0  0  0  0  0  0
 -128.9560  -42.0130  -69.6020   O 0  0  0  0  0  0  0  0  0  0  0  0
 -127.4710  -40.6460  -68.5810   O 0  0  0  0  0  0  0  0  0  0  0  0
 -128.3540  -39.4960  -68.3570   C 0  0  0  0  0  0  0  0  0  0  0  0
 -129.4740  -39.1150  -69.2160   N 0  0  0  0  0  0  0  0  0  0  0  0
 -130.7240  -38.9170  -68.4220   C 0  0  0  0  0  0  0  0  0  0  0  0
 -131.9330  -38.6270  -68.5010   O 0  0  0  0  0  0  0  0  0  0  0  0
 -130.3140  -39.1840  -67.0470   C 0  0  0  0  0  0  0  0  0  0  0  0
 -131.1520  -39.1070  -65.9970   N 0  0  0  0  0  0  0  0  0  0  0  0
 -130.5500  -39.3710  -64.8270   C 0  0  0  0  0  0  0  0  0  0  0  0
 -129.1650  -39.7060  -64.6840   C 0  0  0  0  0  0  0  0  0  0  0  0
 -128.3710  -39.7830  -65.7370   N 0  0  0  0  0  0  0  0  0  0  0  0
 -128.9510  -39.5060  -66.9600   C 0  0  0  0  0  0  0  0  0  0  0  0
 -129.2840  -38.9600  -70.6940   C 0  0  0  0  0  0  0  0  0  0  0  0
 -129.2930  -40.0550  -71.4920   N 0  0  0  0  0  0  0  0  0  0  0  0
 -129.1200  -40.0670  -72.8370   C 0  0  0  0  0  0  0  0  0  0  0  0
 -128.9020  -38.8650  -73.4800   C 0  0  0  0  0  0  0  0  0  0  0  0
 -128.7190  -38.9820  -75.2020  Cl 0  0  0  0  0  0  0  0  0  0  0  0
 -128.8680  -37.6540  -72.7340   C 0  0  0  0  0  0  0  0  0  0  0  0
 -129.0660  -37.7130  -71.3110   C 0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
 21 27  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
A    1
C01
A    2
N02
A    3
C03
A    4
C04
A    5
N05
A    6
C06
A    7
C07
A    8
C08
A    9
O09
A   10
O10
A   11
C11
A   12
N12
A   13
C13
A   14
O14
A   15
C15
A   16
N16
A   17
C17
A   18
C18
A   19
N19
A   20
C20
A   21
C21
A   22
N22
A   23
C23
A   24
C24
A   25
CL
A   26
C26
A   27
C27
M  END
>  <InstanceId>
4A97_ZPC_A_1318

>  <ChemCompId>
ZPC

>  <PdbId>
4A97

>  <ChainId>
A

>  <ResidueNumber>
1318

>  <InsertionCode>


>  <Model>
1

>  <AltIds>


>  <MissingHeavyAtoms>
0

>  <ObservedFormula>
C17 N6 O3 Cl

>  <Name>
(5R)-6-(5-chloropyridin-2-yl)-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-yl 4-methylpiperazine-1-carboxylate

>  <SystematicName>
[(7R)-6-(5-chloranylpyridin-2-yl)-5-oxidanylidene-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate

>  <Synonyms>
R-ZOPICLONE

>  <Type>
NON-POLYMER

>  <Formula>
C17 H17 Cl N6 O3

>  <MolecularWeight>
388.808

>  <ModifiedDate>
2012-10-12

>  <Parent>


>  <OneLetterCode>


>  <SubcomponentList>


>  <AmbiguousFlag>
N

>  <InChI>
InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3/t16-/m1/s1

>  <InChIKey>
GBBSUAFBMRNDJC-MRXNPFEDSA-N

>  <SMILES>
CN1CCN(CC1)C(=O)O[C@@H]2c3c(nccn3)C(=O)N2c4ccc(cn4)Cl

$$$$
