
 OpenBabel04291915433D

 41 45  0  0  0  0  0  0  0  0999 V2000
   11.1221   -5.4869   -1.7601 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3811   -4.2648   -1.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0526   -3.1578   -1.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3811   -2.0504   -0.6565 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0824   -2.0500   -0.6575 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1266   -4.2645   -1.3691 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1031   -0.8600   -0.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4538    0.2110    0.0702 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0811    1.2453    0.4031 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4317    2.3162    0.7467 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0667    6.6363    2.1337 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4394    5.6021    1.8008 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0888    4.5311    1.4572 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4317    4.5307    1.4583 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1031    5.6378    1.8146 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4317    6.7452    2.1699 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1031    7.8523    2.5262 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4461    3.4230    1.1041 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1031    3.4233    1.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4143    3.4190    1.0993 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0273    3.4193    1.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5333    2.0892    0.6703 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2130    1.8559    0.5942 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7801    0.6903    0.2193 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5953   -0.2178   -0.0718 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3772    1.1492    0.3690 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3697    0.4411    0.1379 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1741   -5.3011   -1.6995 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8644   -5.7538   -2.7638 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8629   -6.2883   -1.1002 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0846   -3.1580   -1.0109 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1351    5.6375    1.8155 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3997    6.7455    2.1691 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2280    8.8275    2.8397 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2708    2.8322    0.9150 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6713    4.1669    0.4205 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6699    3.6324    2.0840 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5423    2.6029    0.8336 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8347    1.3234    0.4210 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1105   -0.3603    0.7978 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1119    0.1742   -0.8657 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  2  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  4  7  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 19  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  2  0  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  2  0  0  0  0
 18 35  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
 22 23  2  0  0  0  0
 22 26  1  0  0  0  0
 23 24  1  0  0  0  0
 23 38  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
 27 39  1  0  0  0  0
 27 40  1  0  0  0  0
 27 41  1  0  0  0  0
M  END
>  <SKU>
A14343

>  <Product Name>
a5IA

>  <CAS>
215874-86-5

>  <M.Wt>
362.34546

>  <Formula>
C17H14N8O2

>  <Synonyms>
N/A

>  <URL>
https://www.adooq.com/a5ia.html

$$$$
