9889323
  -OEChem-04262400552D

 36 39  0     1  0  0  0  0  0999 V2000
    7.9906    0.8020    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.8734   -2.1893    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.9564    2.1914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8716   -0.7764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8380   -1.4256    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3701    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.3387    0.2329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5352   -0.2772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1843    3.6836    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.7301   -3.6836    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.5855    2.6656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3071   -2.6962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2702    0.6011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961   -0.6153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1520   -1.0288    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942    1.0100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0032    1.9611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8737   -1.9575    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0724    1.1982    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7804   -1.1937    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.1096   -0.7405    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.7431    0.7010    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.5910    2.7701    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.3036   -2.7791    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.3871   -0.4340    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5032    0.4222    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3122    1.0100    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5444   -1.0462    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8426   -1.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0032    1.9611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9278   -0.1307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9639    0.1164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7698    1.4284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0888   -1.4668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2070   -2.4486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6388    2.4627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 19  2  0  0  0  0
  4 20  2  0  0  0  0
  5 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 21  2  0  0  0  0
  8 22  2  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 23  2  0  0  0  0
 12 24  2  0  0  0  0
 13 19  1  0  0  0  0
 13 25  1  0  0  0  0
 13 27  1  0  0  0  0
 14 20  1  0  0  0  0
 14 26  1  0  0  0  0
 14 28  1  0  0  0  0
 15 21  1  0  0  0  0
 15 25  1  0  0  0  0
 15 29  1  0  0  0  0
 16 22  1  0  0  0  0
 16 26  1  0  0  0  0
 16 30  1  0  0  0  0
 17 23  1  0  0  0  0
 17 27  1  0  0  0  0
 17 30  1  0  0  0  0
 18 24  1  0  0  0  0
 18 28  1  0  0  0  0
 18 29  1  0  0  0  0
 25 28  1  0  0  0  0
 25 31  1  0  0  0  0
 26 27  1  0  0  0  0
 26 32  1  0  0  0  0
 27 33  1  0  0  0  0
 28 34  1  0  0  0  0
 29 30  1  0  0  0  0
 29 35  1  0  0  0  0
 30 36  1  0  0  0  0
M  CHG  8   1  -1   2  -1   5  -1   6  -1   9  -1  10  -1  19   1  20   1
M  CHG  4  21   1  22   1  23   1  24   1
M  END
> <PUBCHEM_COMPOUND_CID>
9889323

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
749

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
18

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBj/AAAAAAAAAAAAAAAAAAAAWLAAAAsAAAABYsAAAAAAAAAHAAMAAAAAADBAAQBAAIAQAABAAAAAQAAAAAAAAAUAAAIAACAQAAAAAAQAAAIAAKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexazatetracyclo[5.5.0.03,11.05,9]dodecane

> <PUBCHEM_IUPAC_CAS_NAME>
2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexazatetracyclo[5.5.0.03,11.05,9]dodecane

> <PUBCHEM_IUPAC_NAME_MARKUP>
2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexazatetracyclo[5.5.0.0<SUP>3,11</SUP>.0<SUP>5,9</SUP>]dodecane

> <PUBCHEM_IUPAC_NAME>
2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexazatetracyclo[5.5.0.03,11.05,9]dodecane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexazatetracyclo[5.5.0.03,11.05,9]dodecane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexazatetracyclo[5.5.0.03,11.05,9]dodecane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H6N12O12/c19-13(20)7-1-2-8(14(21)22)5(7)6-9(15(23)24)3(11(1)17(27)28)4(10(6)16(25)26)12(2)18(29)30/h1-6H

> <PUBCHEM_IUPAC_INCHIKEY>
NDYLCHGXSQOGMS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.8

> <PUBCHEM_EXACT_MASS>
438.02281367

> <PUBCHEM_MOLECULAR_FORMULA>
C6H6N12O12

> <PUBCHEM_MOLECULAR_WEIGHT>
438.19

> <PUBCHEM_OPENEYE_CAN_SMILES>
C12C3N(C4C(N3[N+](=O)[O-])N(C(N1[N+](=O)[O-])C(N2[N+](=O)[O-])N4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C12C3N(C4C(N3[N+](=O)[O-])N(C(N1[N+](=O)[O-])C(N2[N+](=O)[O-])N4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

> <PUBCHEM_CACTVS_TPSA>
294

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
438.02281367

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
4

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
27  13  3
28  14  3
25  15  3
26  16  3

$$$$