
 OpenBabel04291915463D

 52 54  0  0  1  0  0  0  0  0999 V2000
   -0.5410    1.0816    4.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -0.3812    3.7561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1885   -1.2549    4.8416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2092   -0.6167    3.6877 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6571   -1.8060    3.4203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9367   -2.0192    3.3583 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3847   -3.2086    3.0909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9030   -1.9300    3.3796 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6288   -1.2973    3.5634 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6559   -0.3126    3.1458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5525   -2.1137    2.8666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8650   -2.2016    1.3817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2023   -1.4434    3.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3163   -1.2094    5.0484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9387   -1.2664    5.3881 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6643   -3.4218    3.0290 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1123   -4.6111    2.7616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4882   -4.8404    2.6949 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9699   -6.1193    2.4074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2931   -6.3397    2.3433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7563   -7.5696    2.0668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1554   -5.9746    2.4269 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -11.0794   -7.7900    2.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5426   -9.0198    1.7263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1100   -7.1286    2.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7972   -2.8154    3.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5175   -2.6022    3.2698 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0408    0.3595    3.8931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9685    1.6966    3.3174 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5132    1.2572    4.1326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9884    1.3205    5.0236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3483   -0.6201    2.8140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6359   -1.0159    5.7837 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8657   -1.0793    4.8926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3678   -2.2846    4.6125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6402   -1.2862    3.4862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5254   -3.0985    3.2843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8922   -1.2169    0.9640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8155   -2.6735    1.2446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1074   -2.7764    0.8912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2295   -0.4586    2.6438 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5553   -2.0181    2.5709 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0177   -1.3815    4.1067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7076   -0.2827    5.4132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7646   -2.0726    5.4942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4797   -0.5017    5.0068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1187   -4.1004    2.8507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9539   -5.5641    2.5066 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7403   -7.0144    2.1660 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2494   -9.7524    1.5565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1054   -7.3617    2.1553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7017    1.1351    4.0564 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  4  1  0  0  0  0
  2  3  1  0  0  0  0
  2 32  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  3 35  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  2  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  7 16  2  0  0  0  0
  7  8  1  0  0  0  0
  8 36  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  1  6  0  0  0
  9 14  1  0  0  0  0
  9  8  1  0  0  0  0
 11 13  1  0  0  0  0
 11 12  1  0  0  0  0
 11 37  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 15  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 46  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 26  2  0  0  0  0
 18 19  1  0  0  0  0
 18 47  1  0  0  0  0
 19 20  2  0  0  0  0
 19 25  1  0  0  0  0
 20 21  1  0  0  0  0
 20 48  1  0  0  0  0
 21 23  2  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 49  1  0  0  0  0
 24 25  2  0  0  0  0
 24 50  1  0  0  0  0
 25 51  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 52  1  0  0  0  0
M  END
>  <SKU>
A15517

>  <Product Name>
Purvalanol A

>  <CAS>
212844-53-6

>  <M.Wt>
388.8944

>  <Formula>
C19H25ClN6O

>  <Synonyms>
NG-60

>  <URL>
https://www.adooq.com/purvalanol-a.html

$$$$
