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 41 42 43 44 45 46 47 48 49 50 51 52 53
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RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 19 18 1 0 0
M V30 BEGIN ATOM
M V30 1 C -4.990800 0.263700 0.000000 0
M V30 2 C -6.322100 -0.501800 0.000000 0
M V30 3 C -3.653000 -0.495200 0.000000 0
M V30 4 C -5.003700 1.813600 0.000000 0
M V30 5 C -6.322100 -2.051700 0.000000 0
M V30 6 C -3.646600 -2.051700 0.000000 0
M V30 7 C -3.517900 2.218800 0.000000 0
M V30 8 C -4.990800 -2.823500 0.000000 0
M V30 9 C 2.945700 0.893900 0.000000 0
M V30 10 C 1.640100 0.122100 0.000000 0
M V30 11 C 4.283400 0.128500 0.000000 0
M V30 12 C 2.932800 2.418100 0.000000 0
M V30 13 C 1.633700 -1.414900 0.000000 0
M V30 14 C 4.283400 -1.414900 0.000000 0
M V30 15 C 4.418600 2.823400 0.000000 0
M V30 16 C 2.997200 -2.238200 0.000000 0
M V30 17 C 5.499000 -0.321600 0.000000 0
M V30 18 C 6.322100 0.495100 0.000000 0
M V30 19 R 3.575900 -0.321600 0.000000 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 1 2
M V30 2 1 1 3
M V30 3 1 1 4
M V30 4 1 2 5
M V30 5 2 3 6
M V30 6 2 4 7
M V30 7 2 5 8
M V30 8 1 6 8
M V30 9 2 9 10
M V30 10 1 9 11
M V30 11 1 9 12
M V30 12 1 10 13
M V30 13 2 11 14
M V30 14 2 12 15
M V30 15 2 13 16
M V30 16 1 14 16
M V30 17 2 17 18
M V30 18 1 17 19
M V30 END BOND
M V30 BEGIN SGROUP
M V30 1 COP 0 ATOMS=(19 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19) -
M V30 CONNECT=eu LABEL=co
M V30 END SGROUP
M V30 END CTAB
M END
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