
 OpenBabel04291915453D

 89 91  0  0  1  0  0  0  0  0999 V2000
    9.8451    1.4952    1.3698 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8377    0.3629    1.5777 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2190   -0.9451    1.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0985    0.6408    0.7756 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1881    0.2609    3.0532 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1480   -0.8341    3.2543 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4868   -0.9328    4.6813 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4546   -2.0367    4.8840 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9089   -2.3134    6.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7859   -3.3138    6.3008 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2085   -4.0374    5.2514 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7071   -3.7321    3.8906 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3363   -4.6898    2.8921 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.8221   -4.3766    1.4964 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4513   -5.3344    0.4978 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.9371   -5.0212   -0.8978 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.2959   -3.6285   -1.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0024   -3.4090   -2.2352 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8146   -2.5297   -0.4517 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0584   -2.7647    0.5970 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0833   -6.7628    0.8647 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.6968   -7.6966   -0.1089 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4138   -7.6142   -1.3006 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9775   -6.0825    3.2498 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3242   -6.5706    4.4195 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0854   -5.0378    5.4351 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8772   -2.7604    3.8346 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4208   -2.4824    2.5960 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9976   -7.8383    4.7451 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5637   -7.0554    2.1685 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7318   -4.0324    0.9226 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2969   -3.6286   -1.2548 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0034   -3.4091   -2.2345 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9597   -4.9410   -0.9171 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5456   -5.9474   -1.8636 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1897   -7.3289   -1.5088 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0483   -5.6446   -3.2133 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4234   -1.4998    7.2305 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3904   -1.9764    4.7923 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9784   -0.0893    0.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7884   -0.0893    0.0394 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2971    0.0660   -1.3910 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2971    1.0717    0.8891 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3584   -1.5644    0.6900 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2806    2.4160    1.6975 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9575    1.2996    1.9345 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5984    1.5670    0.3311 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3314   -1.1407    1.6769 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9177   -1.7421    1.2586 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9723   -0.8732    0.0735 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5340    1.5616    1.1032 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8519    0.7126   -0.2631 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7972   -0.1563    0.9219 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3005    0.0653    3.6179 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6236    1.1817    3.3809 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9941   -0.6477    2.7160 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5993   -1.1284    5.2460 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9224   -0.0120    5.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5842   -1.7574    6.9235 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9662   -2.7265    3.6324 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6431   -3.8429    3.8694 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4004   -4.5790    2.9133 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0812   -3.3711    1.2381 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7581   -4.4875    1.4751 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5154   -5.2235    0.5191 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8731   -5.1320   -0.9191 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8090   -1.7845    2.4678 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6424   -8.4122    4.0952 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8015   -7.9942    2.2224 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8817   -4.2234    1.2674 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3932   -5.1170   -0.1314 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2886   -5.6902   -1.4647 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5517   -7.5493   -0.5263 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6327   -8.0031   -2.2117 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1257   -7.4397   -1.5300 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3074   -4.6390   -3.4716 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9843   -5.7554   -3.2346 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4913   -6.3188   -3.9163 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8878   -1.8621    8.1238 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3608   -1.5881    7.3199 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6849   -0.4727    7.0840 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8332   -2.6508    4.0894 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6504   -0.9710    4.5345 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3263   -2.0865    4.7704 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6218   -0.1983    1.0423 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6217   -0.9034   -0.5564 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6217    0.8337   -0.3677 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0351   -1.6632    1.5992 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 47  1  0  0  0  0
  1 48  1  0  0  0  0
  2  5  1  0  0  0  0
  2  4  1  0  0  0  0
  2  3  1  0  0  0  0
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 45 89  1  0  0  0  0
M  END
>  <SKU>
A14996

>  <Product Name>
Amadacycline methanesulfonate

>  <CAS>
1196800-40-4

>  <M.Wt>
652.75616

>  <Formula>
C30H44N4O10S

>  <Synonyms>
Omadacycline methanesulfonate, PTK 0796 methanesulfonate, PTK-0796 methanesulfonate, PTK0796 methanesulfonate

>  <URL>
https://www.adooq.com/amadacycline-methanesulfonate.html

$$$$
