
 OpenBabel04291915333D

 85 86  0  0  1  0  0  0  0  0999 V2000
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   12.7400   -3.9040    3.7934 C   0  0  3  0  0  0  0  0  0  0  0  0
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   10.7133   -3.1149    2.5972 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.2200   -1.6844    2.6824 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.0378   -0.7307    2.7392 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.5318    0.6641    2.8223 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2872    1.0345    3.8317 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6452    0.0575    4.8869 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.1300    0.5501    6.2294 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.4880   -0.4269    7.2847 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0500   -1.6636    7.2110 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3989   -2.6156    8.2392 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9609   -3.8523    8.1655 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1307   -4.2593    7.0563 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7215   -5.4146    6.9875 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7933   -3.3386    6.0619 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9905   -3.7323    4.9892 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6730   -2.8660    4.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8429   -3.2730    2.9444 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4337   -4.4284    2.8756 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4940   -2.3211    1.9162 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9320   -1.0844    1.9899 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2467   -2.4734    3.8786 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5091   -5.0913    4.9083 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8057   -5.9006    5.7824 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8314   -3.2417    2.9106 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6561   -2.8374    4.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8661   -3.9892    4.9211 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5961   -3.8469    6.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3189   -4.8293    9.2208 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7177    1.8075    6.5294 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2364    2.2677    7.7836 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0712   -1.1707    4.5939 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2624   -2.2191    5.4209 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9444   -2.0862    6.4330 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6844   -3.4557    5.1259 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7812    2.4293    3.9148 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1933   -0.8953    1.4861 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0089   -1.5306    3.8530 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9245   -3.2687    1.4265 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8200   -2.3778    1.4796 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5656   -5.8647    3.6766 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5167   -4.7418    4.6187 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5167   -4.6378    2.8745 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1456   -4.1238    4.6555 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5389   -5.0756    2.4803 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4900   -3.8488    1.6782 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1189   -3.3347    3.4593 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8144   -1.4646    1.8203 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4433   -0.9505    3.6013 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2824    1.3444    2.0875 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7092   -0.0473    4.9299 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0660    0.6549    6.1865 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0814   -0.1360    8.0774 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4567   -1.9545    6.4183 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9922   -2.3247    9.0319 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1215   -2.4121    6.1171 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0170   -1.8947    4.1115 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0474   -2.2309    3.2117 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6856   -2.0560    4.7607 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5032   -4.1683    2.8554 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1745   -2.0450    4.5464 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6012   -2.4965    3.6444 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4390   -4.9030    4.7030 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0232   -2.9330    6.2224 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7423   -4.6489    6.6371 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9340   -4.3521    9.9548 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8539   -5.6464    8.7836 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4272   -5.1948    9.6857 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6792    3.2152    8.0097 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4949    1.5623    8.5455 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1724    2.3725    7.7407 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1375   -3.5623    4.3142 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8239   -4.2208    5.7295 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4245    2.9847    3.0727 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8512    2.4293    3.9148 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4245    2.8808    4.8169 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7878   -0.6755    0.6240 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3611   -0.2240    1.5261 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8367   -1.9023    1.4261 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4700   -1.7298    4.6346 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2256   -2.4936    0.5975 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1767   -1.3707    1.5396 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2256   -2.5976    2.3417 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <SKU>
A10010

>  <Product Name>
17-AAG (KOS953)

>  <CAS>
75747-14-7

>  <M.Wt>
585.68842

>  <Formula>
C31H43N3O8

>  <Synonyms>
Tanespimycin, NSC330507, CP 127374, KOS-953, KOS 953

>  <URL>
https://www.adooq.com/17-aag.html

$$$$
