6093832
  -OEChem-05142404252D

 37 36  0     0  0  0  0  0  0999 V2000
    1.4030    0.5600    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.0600    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    2.0600    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    1.5600    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
    6.2089    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2089    4.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    4.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2089    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2089    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    6.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0749    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0749    6.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    5.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3429    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3429    6.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0749    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0749    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3429    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3429    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2089    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2089    7.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    6.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6118    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6118    6.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    6.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    5.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6118    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6118    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    4.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  4  1  0  0  0  0
  3  4  1  0  0  0  0
  5 17  2  0  0  0  0
  5 20  1  0  0  0  0
  6 18  2  0  0  0  0
  6 21  1  0  0  0  0
  7 19  2  0  0  0  0
  7 22  1  0  0  0  0
  8 11  2  0  0  0  0
  8 14  1  0  0  0  0
  8 23  1  0  0  0  0
  9 12  2  0  0  0  0
  9 15  1  0  0  0  0
  9 24  1  0  0  0  0
 10 13  2  0  0  0  0
 10 16  1  0  0  0  0
 10 25  1  0  0  0  0
 11 17  1  0  0  0  0
 11 26  1  0  0  0  0
 12 18  1  0  0  0  0
 12 27  1  0  0  0  0
 13 19  1  0  0  0  0
 13 28  1  0  0  0  0
 14 20  2  0  0  0  0
 14 29  1  0  0  0  0
 15 21  2  0  0  0  0
 15 30  1  0  0  0  0
 16 22  2  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 37  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6093832

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
38.9

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzAAAAGBAAAAAAAAAAAAAAAAAAAAAsWLAAAAAAAAAB+AAAHAAAAAAACADBEgQ8gJIIEACgADBnRACCgCAxAiAI2CA4ZJgIIOLAkZGEIAhggADIyAYQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
pyridine;tribromoalumane

> <PUBCHEM_IUPAC_CAS_NAME>
pyridine;tribromoalumane

> <PUBCHEM_IUPAC_NAME_MARKUP>
pyridine;tribromoalumane

> <PUBCHEM_IUPAC_NAME>
pyridine;tribromoalumane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
pyridine;tris(bromanyl)alumane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
pyridine;tribromoalumane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/3C5H5N.Al.3BrH/c3*1-2-4-6-5-3-1;;;;/h3*1-5H;;3*1H/q;;;+3;;;/p-3

> <PUBCHEM_IUPAC_INCHIKEY>
BJAHONWSHMIAPO-UHFFFAOYSA-K

> <PUBCHEM_EXACT_MASS>
502.86110

> <PUBCHEM_MOLECULAR_FORMULA>
C15H15AlBr3N3

> <PUBCHEM_MOLECULAR_WEIGHT>
504.0

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=NC=C1.C1=CC=NC=C1.C1=CC=NC=C1.[Al](Br)(Br)Br

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=NC=C1.C1=CC=NC=C1.C1=CC=NC=C1.[Al](Br)(Br)Br

> <PUBCHEM_CACTVS_TPSA>
38.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
500.86315

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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>
4

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  13  8
10  16  8
11  17  8
12  18  8
13  19  8
14  20  8
15  21  8
16  22  8
5  17  8
5  20  8
6  18  8
6  21  8
7  19  8
7  22  8
8  11  8
8  14  8
9  12  8
9  15  8

$$$$