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Description
Based on the Web Demo tool the V2 molfile of Polyethyleneoxide was copied into the molfie section:
ACCLDraw07292516342D
5 4 0 0 0 0 0 0 0 0999 V2000
4.5313 -7.7188 0.0000 * 0 0 0 0 0 0 0 0 0 0 0 0
5.5541 -7.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5773 -7.7189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6005 -7.1282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6236 -7.7189 0.0000 * 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
M STY 1 1 SRU
M SLB 1 1 1
M SCN 1 1 HT
M SAL 1 3 3 2 4
M SBL 1 2 1 4
M SDI 1 4 5.0427 -8.0142 5.0427 -6.8328
M SDI 1 4 8.1120 -6.8329 8.1120 -8.0142
M SMT 1 n
M END
Using the Polymer functionality you get correctly:
InChI=1B/C2H4OZz2/c4-2-1-3-5/h1-2H2/z101-1-3(5-3,4-2)
If you copy the same structure in V3 molfile format you receive the following error message:
ACCLDraw07292516342D
0 0 0 0 0 999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 5 4 1 0 0
M V30 BEGIN ATOM
M V30 1 * 4.5313 -7.7188 0 0
M V30 2 C 5.5541 -7.1282 0 0
M V30 3 C 6.5773 -7.7189 0 0
M V30 4 O 7.6005 -7.1282 0 0
M V30 5 * 8.6236 -7.7189 0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 2
M V30 2 1 2 3
M V30 3 1 3 4
M V30 4 1 4 5
M V30 END BOND
M V30 BEGIN SGROUP
M V30 1 SRU 1 ATOMS=(3 3 2 4) XBONDS=(2 1 4) BRKXYZ=(9 5.04 -8.01 0 5.04 -
M V30 -6.83 0 0 0 0) BRKXYZ=(9 8.11 -6.83 0 8.11 -8.01 0 0 0 0) -
M V30 CONNECT=HT LABEL=n
M V30 END SGROUP
M V30 END CTAB
M END
InChI options: -Polymers
Error 101 (no InChI; V3000 star atoms ignored; Bond to nonexistent atom) inp