16576
  -OEChem-04232407482D

 52 56  0     1  0  0  0  0  0999 V2000
    6.3849    0.2846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3621   -2.7092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5532   -0.8732    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4660   -1.8694    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0872   -0.6150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6054    0.1913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4144   -1.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5189   -0.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0049   -3.4752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3849    1.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4840    1.7185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2859    1.7185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2615    2.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5084    2.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8850    3.4752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8850    3.4752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7314    0.9983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0385    0.9983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2710    3.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4990    3.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7337    1.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0362    1.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5020    2.3132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2680    2.3131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3650   -0.2825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4190   -1.2512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1769   -0.0016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4714   -0.5431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3842   -1.5393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9102   -2.2247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9236    0.7234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1153    0.5711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5270   -1.8196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0339   -1.1858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0389   -0.5531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5299   -3.8738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4034   -3.9502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4798   -3.0767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9099    0.9547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0229    4.0797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3264    3.7442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4436    3.7442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7470    4.0797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8764    0.3955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8935    0.3955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1400    3.6218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6299    3.6217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2809    0.8742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4890    0.8742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9102    2.4982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8597    2.4982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 26  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7  9  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 40  1  0  0  0  0
 12 14  1  0  0  0  0
 12 18  2  0  0  0  0
 13 15  1  0  0  0  0
 13 19  2  0  0  0  0
 14 16  1  0  0  0  0
 14 20  2  0  0  0  0
 15 17  1  0  0  0  0
 15 21  2  0  0  0  0
 16 17  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 22  1  0  0  0  0
 18 45  1  0  0  0  0
 19 23  1  0  0  0  0
 19 46  1  0  0  0  0
 20 24  1  0  0  0  0
 20 47  1  0  0  0  0
 21 25  1  0  0  0  0
 21 48  1  0  0  0  0
 22 24  2  0  0  0  0
 22 49  1  0  0  0  0
 23 25  2  0  0  0  0
 23 50  1  0  0  0  0
 24 51  1  0  0  0  0
 25 52  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
16576

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
427

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6IAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAABgwAAAABQAAAHgAAAAAADDzhmAYyAIMABACAAiBCAAACAAAgAAAIiAAICIgIJiKAsRiGMAAmwAGIqAeQwOAOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
8-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)-8-azabicyclo[3.2.1]octane

> <PUBCHEM_IUPAC_CAS_NAME>
8-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)-8-azabicyclo[3.2.1]octane

> <PUBCHEM_IUPAC_NAME_MARKUP>
8-methyl-3-(2-tricyclo[9.4.0.0<SUP>3,8</SUP>]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)-8-azabicyclo[3.2.1]octane

> <PUBCHEM_IUPAC_NAME>
8-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)-8-azabicyclo[3.2.1]octane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
8-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)-8-azabicyclo[3.2.1]octane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
8-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)-8-azabicyclo[3.2.1]octane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H27NO/c1-24-18-12-13-19(24)15-20(14-18)25-23-21-8-4-2-6-16(21)10-11-17-7-3-5-9-22(17)23/h2-9,18-20,23H,10-15H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
ZWPODSUQWXAZNC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.8

> <PUBCHEM_EXACT_MASS>
333.209264485

> <PUBCHEM_MOLECULAR_FORMULA>
C23H27NO

> <PUBCHEM_MOLECULAR_WEIGHT>
333.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C2CCC1CC(C2)OC3C4=CC=CC=C4CCC5=CC=CC=C35

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C2CCC1CC(C2)OC3C4=CC=CC=C4CCC5=CC=CC=C35

> <PUBCHEM_CACTVS_TPSA>
12.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
333.209264485

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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>
12  14  8
12  18  8
13  15  8
13  19  8
14  20  8
15  21  8
18  22  8
19  23  8
20  24  8
21  25  8
22  24  8
23  25  8
3  5  3
4  6  3

$$$$