
 OpenBabel04291915373D

 33 35  0  0  0  0  0  0  0  0999 V2000
    0.9321    0.0519   -0.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4021    0.0519   -0.0519 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8921    1.0319   -1.0319 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4121    1.0319   -1.0319 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8903    1.9883   -1.9883 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9581    2.7592   -2.7592 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8921   -1.2868   -0.4106 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2633    2.1687   -2.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7109    3.0640   -3.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0312    3.2375   -3.2375 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4788    4.1328   -4.1328 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6062    4.8545   -4.8545 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3293    4.6867   -4.6867 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5427    5.3373   -5.3373 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3527    5.1809   -5.1809 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.0538    5.7498   -5.7498 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5070    5.8804   -5.8804 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.8518    4.3132   -4.3132 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.6215    3.6767   -3.6767 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2856    5.1809   -5.1809 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.5754    1.0264    0.2092 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5754   -0.6614    0.6614 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5754   -0.2092   -1.0263 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5354    2.0064   -0.7708 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5354    0.7708   -2.0064 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7688    0.0575   -1.2930 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7688    1.2930   -0.0575 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0116    2.7744   -3.8278 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6051    3.7691   -2.7801 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2354   -2.0137   -0.8411 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4274   -2.0803    0.0677 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0403    3.6186   -3.6186 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7018    2.6828   -2.6828 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  2  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  2  0  0  0  0
 10 33  1  0  0  0  0
 11 18  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 17  1  0  0  0  0
 15 16  2  0  0  0  0
 18 20  1  0  0  0  0
 18 19  2  0  0  0  0
M  CHG  4  15   1  17  -1  18   1  20  -1
M  END
>  <SKU>
A11179

>  <Product Name>
NSC-207895 (XI-006)

>  <CAS>
58131-57-0

>  <M.Wt>
279.25202

>  <Formula>
C11H13N5O4

>  <Synonyms>
NSC207895

>  <URL>
https://www.adooq.com/nsc-207895-xi-006.html

$$$$
