2735074
  -OEChem-05082406382D

 57 64  0     0  0  0  0  0  0999 V2000
    6.5060    0.0314    0.0000 Mn  0  2  0  0  0  0  0  0  0  0  0  0
    6.5060    1.1782    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    6.5060   -1.1154    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    8.1880    1.7898    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    1.7643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1880   -1.6251    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7731   -1.5741    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6528    0.0314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3592    0.0314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3169    1.9891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6951    1.9891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3169   -1.9263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6951   -1.9263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0157    2.6817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0218    2.7072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0667   -2.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0218   -2.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4637    0.8423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5484    0.8423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4637   -0.7795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5484   -0.7795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2583    0.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6773    0.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2328   -0.5038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6773   -0.4528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5347    3.5297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5470    3.5807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5891   -3.5238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4994   -3.5238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0598    4.4032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0660    4.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0667   -4.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0218   -4.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1759    1.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8386    0.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1249   -1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8386   -0.9371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0680    0.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0425   -0.5479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1545    3.5138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    3.5966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2091   -3.5238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8794   -3.5238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3835    4.9320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7698    4.9734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3767   -4.9656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7118   -4.9656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1910    1.6612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8386    1.6198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1098   -1.6681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8386   -1.5571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6124    0.7938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.8256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5718   -0.8709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.7628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4 10  2  0  0  0  0
  4 18  1  0  0  0  0
  5 11  2  0  0  0  0
  5 19  1  0  0  0  0
  6 12  1  0  0  0  0
  6 20  2  0  0  0  0
  7 13  1  0  0  0  0
  7 21  2  0  0  0  0
  8 18  2  0  0  0  0
  8 20  1  0  0  0  0
  9 19  2  0  0  0  0
  9 21  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 15  1  0  0  0  0
 14 26  2  0  0  0  0
 15 27  2  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 24  1  0  0  0  0
 22 34  2  0  0  0  0
 23 25  1  0  0  0  0
 23 35  2  0  0  0  0
 24 36  2  0  0  0  0
 25 37  2  0  0  0  0
 26 30  1  0  0  0  0
 26 42  1  0  0  0  0
 27 31  1  0  0  0  0
 27 43  1  0  0  0  0
 28 32  2  0  0  0  0
 28 44  1  0  0  0  0
 29 33  2  0  0  0  0
 29 45  1  0  0  0  0
 30 31  2  0  0  0  0
 30 46  1  0  0  0  0
 31 47  1  0  0  0  0
 32 33  1  0  0  0  0
 32 48  1  0  0  0  0
 33 49  1  0  0  0  0
 34 38  1  0  0  0  0
 34 50  1  0  0  0  0
 35 39  1  0  0  0  0
 35 51  1  0  0  0  0
 36 40  1  0  0  0  0
 36 52  1  0  0  0  0
 37 41  1  0  0  0  0
 37 53  1  0  0  0  0
 38 40  2  0  0  0  0
 38 54  1  0  0  0  0
 39 41  2  0  0  0  0
 39 55  1  0  0  0  0
 40 56  1  0  0  0  0
 41 57  1  0  0  0  0
M  CHG  3   1   2   2  -1   3  -1
M  END
> <PUBCHEM_COMPOUND_CID>
2735074

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1080

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB/wAAAAABAAAAAAAAAAAAAAWLECAAwYMGAAAAAAFiB9AAAHAAAAAAADACBGgAxsNIIEACgAiJiZACCgCkhACAJmCAgRJiIIOLAmZGEIAhggALIyCcQgIAOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
manganous;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene

> <PUBCHEM_IUPAC_CAS_NAME>
2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;manganese(2+)

> <PUBCHEM_IUPAC_NAME_MARKUP>
2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.1<SUP>3,10</SUP>.1<SUP>12,19</SUP>.1<SUP>21,28</SUP>.0<SUP>4,9</SUP>.0<SUP>13,18</SUP>.0<SUP>22,27</SUP>.0<SUP>31,36</SUP>]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;manganese(2+)

> <PUBCHEM_IUPAC_NAME>
2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;manganese(2+)

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;manganese(2+)

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
manganous;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C32H16N8.Mn/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-16H;/q-2;+2

> <PUBCHEM_IUPAC_INCHIKEY>
ICIFYHOILPYQKB-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
567.087836

> <PUBCHEM_MOLECULAR_FORMULA>
C32H16MnN8

> <PUBCHEM_MOLECULAR_WEIGHT>
567.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=CC=CC=C8C(=N7)N=C2[N-]3)C9=CC=CC=C94.[Mn+2]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=CC=CC=C8C(=N7)N=C2[N-]3)C9=CC=CC=C94.[Mn+2]

> <PUBCHEM_CACTVS_TPSA>
76.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
567.087836

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
41

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  2  6
1  3  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  14  8
11  15  8
12  16  8
13  17  8
14  15  8
14  26  8
15  27  8
16  17  8
16  28  8
17  29  8
2  10  8
2  11  8
22  24  8
22  34  8
23  25  8
23  35  8
24  36  8
25  37  8
26  30  8
27  31  8
28  32  8
29  33  8
3  12  8
3  13  8
30  31  8
32  33  8
34  38  8
35  39  8
36  40  8
37  41  8
38  40  8
39  41  8
4  10  8
4  18  8
5  11  8
5  19  8
6  12  8
6  20  8
7  13  8
7  21  8
8  18  8
8  20  8
9  19  8
9  21  8

$$$$