
 OpenBabel04291915373D

 53 57  0  0  0  0  0  0  0  0999 V2000
   21.7916    0.6194   33.7346 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5552    0.6060   32.2331 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0608    0.5967   31.9555 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8323    0.5838   30.5035 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.4463   -0.6183   29.9214 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2860    0.6287   34.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3870    0.5748   30.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1507    0.5615   28.7335 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7870    0.5529   28.4802 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3373    0.5405   27.2084 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0170    0.5322   26.9632 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5693    0.5198   25.6971 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2490    0.5116   25.4519 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8013    0.4992   24.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2099    0.5363   26.1877 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3816    0.4903   23.9221 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9487    0.4783   22.6977 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7152    0.4706   22.4686 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2823    0.4586   21.2442 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7690    0.4462   21.7744 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3213    0.4338   20.5084 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1939    0.4297   19.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5142    0.4379   19.7329 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9619    0.4503   20.9989 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7125    0.4163   18.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4357    0.4083   17.8891 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0027    0.3963   16.6647 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7258    0.3883   16.4275 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5565    0.4123   17.1391 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.3529   -0.2528   34.1725 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.3446    1.4944   34.1583 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.0022   -0.2690   31.8095 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.9939    1.4783   31.7953 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6139    1.4717   32.3792 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6222   -0.2755   32.3934 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.9001   -0.5246   28.9569 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.9893   -1.5561   29.6834 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.7544   -0.1123   34.6257 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.0682    1.2991   34.3014 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9401    1.4498   30.6586 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9484   -0.2974   30.6729 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5976   -0.3136   28.3099 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5894    1.4337   28.2957 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3464    0.5354   27.7476 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2399    0.5166   24.9127 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5784    0.5148   26.2363 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2174    0.5393   25.9638 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0755    0.4736   23.2169 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3067    0.4275   20.3199 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1848    0.4347   18.9485 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2914    0.4535   21.7834 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6733    0.3931   15.8803 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4846    0.4140   16.8109 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 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2 32  1  0  0  0  0
  2 33  1  0  0  0  0
  3  4  1  0  0  0  0
  3 34  1  0  0  0  0
  3 35  1  0  0  0  0
  4  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 36  1  0  0  0  0
  5 37  1  0  0  0  0
  6 38  1  0  0  0  0
  6 39  1  0  0  0  0
  7  8  1  0  0  0  0
  7 40  1  0  0  0  0
  7 41  1  0  0  0  0
  8  9  1  0  0  0  0
  8 42  1  0  0  0  0
  8 43  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 44  1  0  0  0  0
 12 13  2  0  0  0  0
 12 45  1  0  0  0  0
 13 14  1  0  0  0  0
 13 46  1  0  0  0  0
 14 16  1  0  0  0  0
 14 15  2  0  0  0  0
 15 47  1  0  0  0  0
 16 17  2  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 48  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 49  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 23 50  1  0  0  0  0
 24 51  1  0  0  0  0
 25 26  2  0  0  0  0
 25 29  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 52  1  0  0  0  0
 28 29  1  0  0  0  0
 29 53  1  0  0  0  0
M  END
>  <SKU>
A11352

>  <Product Name>
CC-401

>  <CAS>
395104-30-0

>  <M.Wt>
388.46556

>  <Formula>
C22H24N6O

>  <Synonyms>
CC401

>  <URL>
https://www.adooq.com/cc-401.html

$$$$
