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 54 55 56 57 58 59 60 61 62
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RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 24 26 0 0 0
M V30 BEGIN ATOM
M V30 1 O 2.461107 5.635000 0.000000 0
M V30 2 O -4.559987 -0.727347 0.000000 0
M V30 3 N 0.528173 -0.177240 0.000000 0
M V30 4 N 0.828707 -2.967907 0.000000 0
M V30 5 N -0.711107 2.261373 0.000000 0
M V30 6 N -3.731373 1.807960 0.000000 0
M V30 7 C 0.058707 -1.634173 0.000000 0
M V30 8 C -1.480920 -1.634173 0.000000 0
M V30 9 C 1.950200 1.592920 0.000000 0
M V30 10 C -0.711107 0.721373 0.000000 0
M V30 11 C -1.950200 -0.177240 0.000000 0
M V30 12 C 1.632680 3.099880 0.000000 0
M V30 13 C 3.413853 1.114493 0.000000 0
M V30 14 C -2.250733 -2.967907 0.000000 0
M V30 15 C -1.480920 -4.301453 0.000000 0
M V30 16 C 0.058707 -4.301453 0.000000 0
M V30 17 C 2.778813 4.128227 0.000000 0
M V30 18 C 4.559987 2.143027 0.000000 0
M V30 19 C -3.414040 0.301187 0.000000 0
M V30 20 C 0.168840 3.578307 0.000000 0
M V30 21 C 3.731373 -0.392280 0.000000 0
M V30 22 C 4.242467 3.649800 0.000000 0
M V30 23 C -2.250733 -5.635000 0.000000 0
M V30 24 C 0.828707 -5.635000 0.000000 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 17
M V30 2 2 2 19
M V30 3 1 3 7
M V30 4 1 3 9
M V30 5 1 3 10
M V30 6 2 4 7
M V30 7 1 4 16
M V30 8 1 5 10
M V30 9 1 6 19
M V30 10 1 7 8
M V30 11 1 8 11
M V30 12 2 8 14
M V30 13 2 9 12
M V30 14 1 9 13 CFG=1
M V30 15 2 10 11
M V30 16 1 11 19
M V30 17 1 12 17
M V30 18 1 12 20
M V30 19 2 13 18
M V30 20 1 13 21
M V30 21 1 14 15
M V30 22 2 15 16
M V30 23 1 15 23
M V30 24 1 16 24
M V30 25 2 17 22
M V30 26 1 18 22
M V30 END BOND
M V30 END CTAB
M END
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