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
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RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 13 13 0 0 0
M V30 BEGIN ATOM
M V30 1 C 8.207700 1.925100 0.000000 0
M V30 2 C 6.874000 1.155100 0.000000 0
M V30 3 C 6.874000 -0.384700 0.000000 0
M V30 4 C 8.207700 -1.154500 0.000000 0
M V30 5 C 9.541500 -0.384700 0.000000 0
M V30 6 C 9.541500 1.155100 0.000000 0
M V30 7 C 10.875200 1.925100 0.000000 0
M V30 8 O 10.875200 3.465100 0.000000 0
M V30 9 O 12.208900 1.155100 0.000000 0
M V30 10 O 10.875200 -1.154900 0.000000 0
M V30 11 C 10.875000 -2.694900 0.000000 0
M V30 12 O 9.541300 -3.464900 0.000000 0
M V30 13 C 12.208700 -3.465100 0.000000 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 1 2
M V30 2 1 1 6
M V30 3 1 2 3
M V30 4 2 5 6
M V30 5 2 3 4
M V30 6 1 4 5
M V30 7 1 6 7
M V30 8 2 7 8
M V30 9 1 7 9
M V30 10 1 5 10
M V30 11 1 10 11
M V30 12 1 11 13
M V30 13 2 11 12
M V30 END BOND
M V30 END CTAB
M END
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