-ISIS-  05031710462D

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    7.1375   -6.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1375   -5.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3417   -4.9958    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.8000   -4.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7458   -7.7625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5417   -8.2208    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5417   -9.1417    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
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    4.7458   -4.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6083   -5.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0208   -7.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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
  1  7  2  0  0  0  0
  5  8  2  0  0  0  0
  9  3  1  0  0  0  0
  6 10  1  0  0  0  0
 11 12  1  0  0  0  0
  9 12  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
  9 16  2  0  0  0  0
 16 17  1  0  0  0  0
 15 13  1  0  0  0  0
 13 17  1  0  0  0  0
 11  2  1  1  0  0  0
 12 13  1  0  0  0  0
 12 18  1  6  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
  6 21  1  1  0  0  0
  6 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 22 27  1  6  0  0  0
 25 28  1  6  0  0  0
 25 29  1  0  0  0  0
 29  1  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  6  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
M  END
>  <Catalog No.>
CFN00400

>  <Name>
Spiraline

>  <CAS Number>
77156-25-3

>  <Purity>
98%

>  <Formula>
C22H33NO9

>  <Mol Weight>
455.50

>  <Physical Description>
Powder

>  <Type of Compound>
Alkaloids

>  <Solvent>
Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc.

>  <WebLink>
http://www.chemfaces.com/natural/Spiraline-CFN00400.html

$$$$