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    8.3625   -5.9875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.1458   -6.4375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9292   -5.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9292   -5.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1458   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042   -4.8042    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9750   -5.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042   -6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3625   -4.1792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1458   -7.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7125   -6.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  1 10  1  1  0  0  0
  2 11  1  1  0  0  0
  7 12  1  1  0  0  0
  9 13  1  0  0  0  0
  3 14  1  1  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 17  1  0  0  0  0
 21 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 25  1  0  0  0  0
 25 14  1  1  0  0  0
 29 31  1  1  0  0  0
 27 32  1  1  0  0  0
 30 33  1  6  0  0  0
 28 34  1  6  0  0  0
 32 35  1  0  0  0  0
M  END
>  <Catalog No.>
CFN99203

>  <Name>
Agnuside

>  <CAS Number>
11027-63-7

>  <Purity>
98%

>  <Formula>
C22H26O11

>  <Mol Weight>
466.4 

>  <Physical Description>
Powder

>  <Type of Compound>
Iridoids

>  <Solvent>
Pyridine, Methanol, Ethanol, etc.

>  <WebLink>
http://www.chemfaces.com/natural/Agnuside-CFN99203.html

$$$$