13IKF_717_A_202
2  RCSB PDB12061709053D
3Coordinates from PDB:3IKF:A:202 Model:1 without hydrogens
4 10 11  0  0  0  0            999 V2000
5    9.3220  -27.0930  -15.6270   C 0  0  0  0  0  0  0  0  0  0  0  0
6    8.7340  -28.1170  -14.9240   N 0  0  0  0  0  0  0  0  0  0  0  0
7    7.5760  -28.3310  -15.6410   C 0  0  0  0  0  0  0  0  0  0  0  0
8    7.4530  -27.5240  -16.6960   N 0  0  0  0  0  0  0  0  0  0  0  0
9    8.5570  -26.6940  -16.7510   C 0  0  0  0  0  0  0  0  0  0  0  0
10    6.3010  -27.6650  -17.4930   C 0  0  0  0  0  0  0  0  0  0  0  0
11    5.4940  -28.6950  -16.9570   C 0  0  0  0  0  0  0  0  0  0  0  0
12    6.2620  -29.3600  -15.5190   S 0  0  0  0  0  0  0  0  0  0  0  0
13   10.6450  -26.4810  -15.2500   C 0  0  0  0  0  0  0  0  0  0  0  0
14   11.4520  -26.5360  -16.4230   O 0  0  0  0  0  0  0  0  0  0  0  0
15  2  1  1  0  0  0  0
16  1  5  2  0  0  0  0
17  1  9  1  0  0  0  0
18  3  2  2  0  0  0  0
19  8  3  1  0  0  0  0
20  3  4  1  0  0  0  0
21  6  4  1  0  0  0  0
22  4  5  1  0  0  0  0
23  7  6  2  0  0  0  0
24  8  7  1  0  0  0  0
25  9 10  1  0  0  0  0
26A    1
27C1
28A    2
29N2
30A    3
31C3
32A    4
33N4
34A    5
35C5
36A    6
37C6
38A    7
39C7
40A    8
41S8
42A    9
43C9
44A   10
45O10
46M  END
47>  <InstanceId>
483IKF_717_A_202
49
50>  <ChemCompId>
51717
52
53>  <PdbId>
543IKF
55
56>  <ChainId>
57A
58
59>  <ResidueNumber>
60202
61
62>  <InsertionCode>
63
64
65>  <Model>
661
67
68>  <AltIds>
69
70
71>  <MissingHeavyAtoms>
720
73
74>  <ObservedFormula>
75C6 N2 O S
76
77>  <Name>
78imidazo[2,1-b][1,3]thiazol-6-ylmethanol
79
80>  <SystematicName>
81imidazo[2,1-b][1,3]thiazol-6-ylmethanol
82
83>  <Synonyms>
84
85
86>  <Type>
87NON-POLYMER
88
89>  <Formula>
90C6 H6 N2 O S
91
92>  <MolecularWeight>
93154.19
94
95>  <ModifiedDate>
962011-06-04
97
98>  <Parent>
99
100
101>  <OneLetterCode>
102
103
104>  <SubcomponentList>
105
106
107>  <AmbiguousFlag>
108N
109
110>  <InChI>
111InChI=1S/C6H6N2OS/c9-4-5-3-8-1-2-10-6(8)7-5/h1-3,9H,4H2
112
113>  <InChIKey>
114GBUTVPCKMACQMG-UHFFFAOYSA-N
115
116>  <SMILES>
117c1csc2n1cc(n2)CO
118
119$$$$
120