
 OpenBabel04291915483D

 61 65  0  0  0  0  0  0  0  0999 V2000
  -16.0688   14.7923   -6.8556 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.1272   16.1706   -7.4939 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.4832   16.5521   -7.6730 O   0  0  0  0  0  0  0  0  0  0  0  0
  -17.5379   17.8397   -8.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.9894   18.2481   -8.4610 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6173   14.3839   -6.6639 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5639   13.1262   -6.0814 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3706   12.5562   -5.8153 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3189   11.3385   -5.2514 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1310   10.7706   -4.9876 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9947   11.4204   -5.2876 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0463   12.6381   -5.8515 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5586   13.1241   -6.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7173   10.8097   -5.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6183   11.4381   -5.2940 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4694   10.8889   -5.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4195    9.7112   -4.4934 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5184    9.0828   -4.2033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6656    9.5920   -4.4399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2878   11.5646   -5.3507 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0524   10.9740   -5.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9161   11.6238   -5.3763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7281   11.0559   -5.1124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5918   11.7057   -5.4124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6435   12.9234   -5.9763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0008    9.7563   -4.5124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3565   11.1151   -5.1380 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8573   11.8092   -5.4585 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0498   10.9542   -5.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2513   11.6413   -5.3789 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3653   10.8425   -5.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3013    9.8143   -4.5357 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5086   10.6582   -4.9373 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4826   10.1013   -4.6802 N   0  0  0  0  0  0  0  0  0  0  0  0
  -16.5576   14.0839   -7.4912 H   0  0  0  0  0  0  0  0  0  0  0  0
  -16.5605   14.8180   -5.9057 H   0  0  0  0  0  0  0  0  0  0  0  0
  -15.6355   16.1449   -8.4438 H   0  0  0  0  0  0  0  0  0  0  0  0
  -15.6384   16.8790   -6.8582 H   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0461   17.8140   -9.2192 H   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0490   18.5481   -7.6336 H   0  0  0  0  0  0  0  0  0  0  0  0
  -19.5187   18.1674   -9.3874 H   0  0  0  0  0  0  0  0  0  0  0  0
  -19.7797   18.9045   -8.1619 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5473   14.3873   -6.6635 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0913    9.8348   -4.5542 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2765   13.2620   -6.1398 H   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5387   13.4170   -6.2156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4633    8.1477   -3.7702 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5305    9.0809   -4.2039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3257   12.4573   -5.7641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9558   12.5596   -5.8097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6885   10.1201   -4.6791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2762   13.7986   -6.3814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3680    8.8810   -4.1074 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8897   12.7361   -4.9249 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8909   12.0019   -6.5105 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0174   10.0273   -5.5953 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0162   10.7615   -4.0097 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9682   11.0899   -4.1595 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2345   10.4202   -5.4676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6732    8.9999   -5.1216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7955    9.5109   -3.6365 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  2  3  1  0  0  0  0
  2 37  1  0  0  0  0
  2 38  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 39  1  0  0  0  0
  4 40  1  0  0  0  0
  5  6  1  0  0  0  0
  5 41  1  0  0  0  0
  5 42  1  0  0  0  0
  6  7  1  0  0  0  0
  6 43  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 33  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 44  1  0  0  0  0
 11 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 45  1  0  0  0  0
 13 46  1  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
 16 20  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 47  1  0  0  0  0
 19 48  1  0  0  0  0
 20 21  1  0  0  0  0
 20 49  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
 22 50  1  0  0  0  0
 23 24  2  0  0  0  0
 23 51  1  0  0  0  0
 24 27  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 52  1  0  0  0  0
 26 53  1  0  0  0  0
 27 28  1  0  0  0  0
 27 32  1  0  0  0  0
 28 29  1  0  0  0  0
 28 54  1  0  0  0  0
 28 55  1  0  0  0  0
 29 30  1  0  0  0  0
 29 56  1  0  0  0  0
 29 57  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 58  1  0  0  0  0
 31 59  1  0  0  0  0
 32 60  1  0  0  0  0
 32 61  1  0  0  0  0
 33 34  3  0  0  0  0
M  END
>  <SKU>
A16298

>  <Product Name>
IKK epsilon-IN-1

>  <CAS>
1292310-49-6

>  <M.Wt>
457.52428

>  <Formula>
C26H27N5O3

>  <Synonyms>
N/A

>  <URL>
https://www.adooq.com/ikk-epsilon-in-1.html

$$$$
