72801
  -OEChem-04262411312D

 62 63  0     0  0  0  0  0  0999 V2000
    5.4641    1.1174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.3826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8420    3.2976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3001   -0.2504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.3826    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792    2.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.8826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7762   -2.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.8826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.8826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3009    3.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8382   -1.7231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1890    2.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0679    1.2754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    0.6425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    0.6425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8619    3.4015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2431    2.2798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    1.7000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    1.0098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082   -3.4652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067   -2.7749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7670   -3.4630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4341   -2.3260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -2.4076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -2.4076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    2.0924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    2.0924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067   -1.9902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082   -1.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5577    3.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4072    2.7717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    0.2251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -0.4652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1023   -2.2841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3037   -1.4090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -3.8575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -3.8575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    0.2251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -0.4652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407   -0.4902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    0.2001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7921    2.6878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7721    2.0852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -1.2749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -1.9652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6728    1.1395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4918    1.0463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -1.9902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -1.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 21  1  0  0  0  0
  2 16  1  0  0  0  0
  2 22  1  0  0  0  0
  3 17  1  0  0  0  0
  3 23  1  0  0  0  0
  4 18  1  0  0  0  0
  4 24  1  0  0  0  0
  5 19  1  0  0  0  0
  5 25  1  0  0  0  0
  6 20  1  0  0  0  0
  6 26  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 17  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 18  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 16  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 19  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 20  1  0  0  0  0
 14 37  1  0  0  0  0
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 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
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 18 46  1  0  0  0  0
 19 47  1  0  0  0  0
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 20 49  1  0  0  0  0
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 21 22  1  0  0  0  0
 21 51  1  0  0  0  0
 21 52  1  0  0  0  0
 22 53  1  0  0  0  0
 22 54  1  0  0  0  0
 23 25  1  0  0  0  0
 23 55  1  0  0  0  0
 23 56  1  0  0  0  0
 24 26  1  0  0  0  0
 24 57  1  0  0  0  0
 24 58  1  0  0  0  0
 25 59  1  0  0  0  0
 25 60  1  0  0  0  0
 26 61  1  0  0  0  0
 26 62  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
72801

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
247

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7OAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAAAAAAAADhgAYAAAMABAAAAAAAAAAAAAAAAAAAAAAIAAADAAAAAAADAAAAAACSAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane

> <PUBCHEM_IUPAC_CAS_NAME>
4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane

> <PUBCHEM_IUPAC_NAME_MARKUP>
4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane

> <PUBCHEM_IUPAC_NAME>
4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H36N2O6/c1-7-21-13-14-24-10-4-20-5-11-25-17-15-22-8-2-19(1)3-9-23-16-18-26-12-6-20/h1-18H2

> <PUBCHEM_IUPAC_INCHIKEY>
AUFVJZSDSXXFOI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-1

> <PUBCHEM_EXACT_MASS>
376.25733687

> <PUBCHEM_MOLECULAR_FORMULA>
C18H36N2O6

> <PUBCHEM_MOLECULAR_WEIGHT>
376.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1COCCOCCN2CCOCCOCCN1CCOCCOCC2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1COCCOCCN2CCOCCOCCN1CCOCCOCC2

> <PUBCHEM_CACTVS_TPSA>
61.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
376.25733687

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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

$$$$