
 OpenBabel04291915403D

 64 69  0  0  1  0  0  0  0  0999 V2000
   15.5327    4.0619   36.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4743    3.8948   35.1184 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0228    3.8451   34.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9662    3.6834   33.2100 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9842    4.1117   37.0765 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5625    3.6353   32.7763 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.5040    3.4682   31.2667 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0525    3.4184   30.8182 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9973    3.2607   29.3935 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2112    3.1766   28.6336 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8659    4.9276   33.1703 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7620    3.1890   28.7462 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7233    3.2609   29.3965 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7064    3.0301   27.3121 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5185    2.9612   26.6897 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4668    2.8135   25.3559 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2789    2.7445   24.7335 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1425    2.8232   25.4448 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8428    2.9514   26.6007 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2251    2.5909   23.3465 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9898    2.5192   22.6992 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9398    2.3764   21.4093 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7909    2.3097   20.8074 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7393    2.1620   19.4736 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5513    2.0930   18.8512 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8908    2.5953   23.3872 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4958    1.9342   17.4170 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3078    1.8652   16.7946 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2562    1.7175   15.4608 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0682    1.6486   14.8384 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0165    1.5009   13.5046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1714    1.4319   12.8822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2231    1.2842   11.5484 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3925    1.6388   14.7495 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8902    1.8376   16.5441 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.0425    3.2349   37.0977 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0424    4.9716   36.9054 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9646    2.9851   34.8410 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9646    4.7218   34.6487 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5324    4.7548   34.9473 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5325    3.0181   35.1396 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4920    3.2821   37.5224 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7337    4.7251   37.5313 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0722    2.8083   33.2460 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9944    2.5585   30.9893 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9943    4.2951   30.7970 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5622    4.3281   31.0956 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5622    2.5914   31.2879 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3857    3.8311   27.8054 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7679    2.4163   28.1269 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4300    5.7853   33.4721 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0871    5.2282   33.8397 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6452    3.0217   27.2363 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3401    2.7530   24.8092 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1237    2.8413   25.6080 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8616    2.9334   26.4376 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0582    2.5332   22.8250 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9177    2.3702   21.3540 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6125    2.1015   18.9269 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4346    1.9257   17.3412 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1950    1.7091   15.3850 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8898    1.4404   12.9580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0447    1.4924   13.4289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6634    1.1815   10.6207 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  2  3  1  0  0  0  0
  2 38  1  0  0  0  0
  2 39  1  0  0  0  0
  3  4  1  0  0  0  0
  3 40  1  0  0  0  0
  3 41  1  0  0  0  0
  4  6  1  0  0  0  0
  4  5  1  0  0  0  0
  5 42  1  0  0  0  0
  5 43  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 44  1  0  0  0  0
  7  8  1  0  0  0  0
  7 45  1  0  0  0  0
  7 46  1  0  0  0  0
  8  9  1  0  0  0  0
  8 47  1  0  0  0  0
  8 48  1  0  0  0  0
  9 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 49  1  0  0  0  0
 10 50  1  0  0  0  0
 11 51  1  0  0  0  0
 11 52  1  0  0  0  0
 12 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 53  1  0  0  0  0
 16 17  2  0  0  0  0
 16 54  1  0  0  0  0
 17 20  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 55  1  0  0  0  0
 19 56  1  0  0  0  0
 20 21  1  0  0  0  0
 20 57  1  0  0  0  0
 21 22  2  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 58  1  0  0  0  0
 24 25  1  0  0  0  0
 24 59  1  0  0  0  0
 25 27  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  2  0  0  0  0
 27 35  1  0  0  0  0
 28 29  1  0  0  0  0
 28 60  1  0  0  0  0
 29 30  2  0  0  0  0
 29 34  1  0  0  0  0
 30 31  1  0  0  0  0
 30 61  1  0  0  0  0
 31 32  2  0  0  0  0
 31 62  1  0  0  0  0
 32 33  1  0  0  0  0
 32 63  1  0  0  0  0
 33 34  2  0  0  0  0
 33 64  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <SKU>
A12836

>  <Product Name>
IKK-16

>  <CAS>
873225-46-8

>  <M.Wt>
483.62776

>  <Formula>
C28H29N5OS

>  <Synonyms>
IKK 16, IKK16

>  <URL>
https://www.adooq.com/ikk-16.html

$$$$
