1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40
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RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 12 11 3 0 0
M V30 BEGIN ATOM
M V30 1 C -1.009584 7.462501 0.000000 0
M V30 2 R -2.308645 6.712499 0.000000 0
M V30 3 C 0.289476 6.712499 0.000000 0
M V30 4 C 0.289476 5.212497 0.000000 0
M V30 5 C 1.588439 7.462501 0.000000 0
M V30 6 C 0.000000 0.000000 0.000000 0
M V30 7 C 2.887500 6.712499 0.000000 0
M V30 8 O 2.887500 5.212497 0.000000 0
M V30 9 C 4.186561 7.462501 0.000000 0
M V30 10 C 5.485621 6.712499 0.000000 0
M V30 11 O 6.784682 7.462501 0.000000 0
M V30 12 R 8.083645 6.712499 0.000000 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 2 1
M V30 2 1 1 3
M V30 3 1 3 4
M V30 4 1 3 5
M V30 5 1 5 6
M V30 6 1 5 7
M V30 7 1 7 9
M V30 8 1 7 8
M V30 9 1 9 10
M V30 10 1 10 11
M V30 11 1 11 12
M V30 END BOND
M V30 BEGIN SGROUP
M V30 1 SRU 0 ATOMS=(3 1 3 4) CONNECT=ht LABEL=n
M V30 2 SRU 0 ATOMS=(4 5 6 7 8) CONNECT=hh LABEL=n
M V30 3 SRU 0 ATOMS=(2 10 11) CONNECT=eu LABEL=n
M V30 END SGROUP
M V30 END CTAB
M END
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