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
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RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 17 16 1 0 0
M V30 BEGIN ATOM
M V30 1 C -1.153500 2.933000 0.000000 0
M V30 2 O -1.153500 3.758000 0.000000 0
M V30 3 C -0.439000 1.695500 0.000000 0
M V30 4 N 1.642400 3.078100 0.000000 0
M V30 5 H 3.669500 3.078100 0.000000 0
M V30 6 N -3.669500 2.845900 0.000000 0
M V30 7 C -0.439000 2.520500 0.000000 0
M V30 8 C -1.153500 2.933000 0.000000 0
M V30 9 O -1.153500 3.758000 0.000000 0
M V30 10 C -0.439000 2.520500 0.000000 0
M V30 11 N 1.642400 3.078100 0.000000 0
M V30 12 C -0.439000 1.695500 0.000000 0
M V30 13 C -1.153500 2.933000 0.000000 0
M V30 14 O -1.153500 3.758000 0.000000 0
M V30 15 C -0.439000 2.520500 0.000000 0
M V30 16 N 1.642400 3.078100 0.000000 0
M V30 17 C -0.439000 1.695500 0.000000 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 1 2
M V30 2 1 5 11
M V30 3 1 6 13
M V30 4 1 1 7
M V30 5 1 7 3
M V30 6 1 7 4
M V30 7 1 8 10
M V30 8 2 8 9
M V30 9 1 10 12
M V30 10 1 10 11
M V30 11 1 13 15
M V30 12 2 13 14
M V30 13 1 15 17
M V30 14 1 15 16
M V30 15 1 16 1
M V30 16 1 4 8
M V30 END BOND
M V30 BEGIN SGROUP
M V30 1 MUL 0 ATOMS=(15 1 2 3 4 7 8 9 10 11 12 13 14 15 16 17) -
M V30 CBONDS=(2 15 14) PATOMS=(5 1 2 3 4 7) MULT=3
M V30 END SGROUP
M V30 END CTAB
M END
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