-OEChem-07191013262D

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    0.6561   -2.0598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4376   -3.9026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3997   -1.8322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6447   -2.8742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625   -2.9018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1142   -0.5962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8840   -3.5888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9908   -2.1908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5501   -1.4280    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   -0.7522   -1.4763    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    7.6344   -1.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7694   -4.3275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0592   -3.5888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1659   -2.1908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1728   -3.6129    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1522   -4.3137    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6852   -1.4177    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0086   -3.0811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 37  2  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
13367

> <PUBCHEM_SUBSTANCE_VERSION>
5

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C11186

> <PUBCHEM_SUBSTANCE_COMMENT>
CAS: 6833-84-7
NIKKAJI: J9.825F

> <PUBCHEM_SUBSTANCE_SYNONYM>
6833-84-7
C11186
Nonactin

> <PUBCHEM_GENERIC_REGISTRY_NAME>
6833-84-7

> <PUBCHEM_XREF_EXT_ID>
C11186

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.genome.jp/kegg/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C11186

> <PUBCHEM_CID_ASSOCIATIONS>
72519  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
13  53  5
14  54  5
15  55  6
16  56  6
17  57  5
18  58  5
19  59  6
20  60  6
21  45  6
22  46  6
23  47  6
24  48  6
41  49  5
42  50  5
43  51  6
44  52  6

$$$$