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CHRIS / data /MnPC.sdf
Robert Elder
quantity module + qrf updates
608b51d
Raw History Blame Contribute Delete
4.74 kB
250132349
-OEChem-01222411282D
41 48 0 0 0 0 0 0 0999 V2000
0.10000 1.60000 0.0000 Mn 0 0 0 0 0 0 0 0 0 0 0 0
-3.30000 5.00000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.90000 1.60000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.10000 4.50000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.60000 5.00000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.30000 -2.00000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.20000 1.60000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.10000 -1.60000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.60000 -1.90000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.00000 3.10000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.50000 5.70000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.00000 -0.10000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.60000 5.70000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.30000 3.10000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.50000 -2.70000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.30000 -0.10000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.00000 2.50000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.60000 -2.70000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.90000 7.70000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.00000 0.60000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.00000 7.70000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.20000 2.50000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.20000 0.60000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.90000 -4.60000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.00000 -4.60000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.80000 3.50000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.90000 9.40000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.80000 -0.50000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.00000 9.40000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.00000 3.50000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.00000 -0.50000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.90000 -6.40000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.00000 -6.40000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.60000 2.50000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.60000 0.60000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.90000 11.20000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.00000 11.20000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.70000 2.50000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.70000 0.60000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.90000 -8.20000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.00000 -8.20000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 10 1 0 0 0 0
2 11 2 0 0 0 0
3 10 2 0 0 0 0
3 12 1 0 0 0 0
4 11 1 0 0 0 0
4 13 1 0 0 0 0
5 13 2 0 0 0 0
5 14 1 0 0 0 0
6 12 2 0 0 0 0
6 15 1 0 0 0 0
7 14 2 0 0 0 0
7 16 1 0 0 0 0
8 15 1 0 0 0 0
8 18 1 0 0 0 0
9 16 2 0 0 0 0
9 18 1 0 0 0 0
10 17 1 0 0 0 0
11 19 1 0 0 0 0
12 20 1 0 0 0 0
13 21 1 0 0 0 0
14 22 1 0 0 0 0
15 24 2 0 0 0 0
16 23 1 0 0 0 0
17 20 2 0 0 0 0
17 26 1 0 0 0 0
18 25 2 0 0 0 0
19 21 2 0 0 0 0
19 27 1 0 0 0 0
20 28 1 0 0 0 0
21 29 1 0 0 0 0
22 23 1 0 0 0 0
22 30 2 0 0 0 0
23 31 2 0 0 0 0
24 25 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
26 34 2 0 0 0 0
27 36 2 0 0 0 0
28 35 2 0 0 0 0
29 37 2 0 0 0 0
30 38 1 0 0 0 0
31 39 1 0 0 0 0
32 40 2 0 0 0 0
33 41 2 0 0 0 0
34 35 1 0 0 0 0
36 37 1 0 0 0 0
38 39 2 0 0 0 0
40 41 1 0 0 0 0
M END
> <PUBCHEM_COMPOUND_ID_TYPE>
0
> <PUBCHEM_TOTAL_CHARGE>
0
> <PUBCHEM_SUBSTANCE_ID>
250132349
> <PUBCHEM_SUBSTANCE_VERSION>
1
> <PUBCHEM_EXT_DATASOURCE_NAME>
NIST
> <PUBCHEM_EXT_DATASOURCE_REGID>
FBVMGXXZRKLOMC-MXKBGJTJSA-N
> <PUBCHEM_SUBSTANCE_SYNONYM>
FBVMGXXZRKLOMC-MXKBGJTJSA-N
Manganese phthalocyanine
Manganese(II) phthalocyanine
Manganese, [29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]-, (SP-4-1)-
Manganese,[29H,31H-phthalocyaninato(2(-))-N<29>,N<30>,N<31>,N<32>](SP-4-1)-
Phthalocyanine manganese
> <PUBCHEM_XREF_EXT_ID>
FBVMGXXZRKLOMC-MXKBGJTJSA-N
> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.nist.gov/srd/nist1a.cfm
> <PUBCHEM_CID_ASSOCIATIONS>
135702311 1
23930 2
86280045 2
> <PUBCHEM_COORDINATE_TYPE>
1
3
$$$$