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
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Mrv2311 01152402292D
0 0 0 0 0 999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 15 14 1 0 0
M V30 BEGIN ATOM
M V30 1 C -0.6669 3.08 0 0
M V30 2 C -0.6669 1.54 0 0
M V30 3 N 0.6668 0.77 0 0
M V30 4 C 2.0005 1.54 0 0
M V30 5 C 2.0005 3.08 0 0
M V30 6 N 0.6668 3.85 0 0
M V30 7 C 0.6668 -0.77 0 0
M V30 8 O 2.0005 -1.54 0 0
M V30 9 O -0.6669 -1.54 0 0
M V30 10 C -2.0005 -3.85 0 0
M V30 11 C 0.6668 -3.85 0 0
M V30 12 C 0.6668 -2.31 0 0
M V30 13 C -0.6669 -3.08 0 0
M V30 14 C -12.9375 2.125 0 0
M V30 15 O -11.4729 1.6491 0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 2
M V30 2 1 6 1
M V30 3 1 2 3
M V30 4 1 3 4
M V30 5 1 3 7
M V30 6 1 4 5
M V30 7 1 5 6
M V30 8 2 7 8
M V30 9 1 7 9
M V30 10 1 9 13
M V30 11 1 13 10
M V30 12 1 13 11
M V30 13 1 13 12
M V30 14 1 14 15
M V30 END BOND
M V30 BEGIN SGROUP
M V30 1 GEN 0 ATOMS=(13 1 2 3 4 5 6 7 8 9 10 11 12 13) BRKXYZ=(9 -3.0785 -
M V30 -4.928 0 -3.0785 4.928 0 0 0 0) BRKXYZ=(9 3.0785 4.928 0 3.0785 -4.928 -
M V30 0 0 0 0)
M V30 END SGROUP
M V30 END CTAB
M END
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