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RDKit 3D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 44 46 0 0 1
M V30 BEGIN ATOM
M V30 1 O -2.595500 0.621300 -0.787800 0
M V30 2 O 2.151700 2.138800 -0.026400 0
M V30 3 N 0.111600 0.456300 0.288400 0
M V30 4 N 0.447900 -0.829200 -0.312200 0
M V30 5 N 0.123000 1.779000 0.850000 0
M V30 6 N 2.346600 1.606900 1.240900 0
M V30 7 C 0.647300 -0.091100 -0.029700 0
M V30 8 C 1.415800 0.253800 -0.005300 0
M V30 9 C -0.722000 0.325600 0.365900 0
M V30 10 C 0.518100 1.143200 0.516100 0
M V30 11 C 1.326800 1.035400 0.341400 0
M V30 12 C -1.244600 0.543300 -0.260600 0
M V30 13 C -1.030200 -0.022600 1.070800 0
M V30 14 C 2.062300 -0.209200 -0.305900 0
M V30 15 C 1.889500 -0.978700 -0.606000 0
M V30 16 C 1.093500 -1.248300 -0.593600 0
M V30 17 C -2.075100 0.412800 -0.182500 0
M V30 18 C -1.860800 -0.153100 1.148900 0
M V30 19 C 1.949500 1.623500 0.492100 0
M V30 20 C -0.924300 0.917900 -1.021600 0
M V30 21 C -0.488400 -0.263500 1.754800 0
M V30 22 C -2.383300 0.064500 0.522200 0
M V30 23 C 2.560000 -1.489000 -0.930300 0
M V30 24 C 0.899900 -2.073400 -0.914400 0
M V30 25 H 2.674900 0.028700 -0.302300 0
M V30 26 H -2.111600 -0.423700 1.693700 0
M V30 27 H 0.419600 2.289900 1.020500 0
M V30 28 H -0.483300 1.783400 0.948400 0
M V30 29 H -0.619900 1.491500 -0.888400 0
M V30 30 H -1.398000 1.053700 -1.464300 0
M V30 31 H -0.498200 0.507900 -1.321500 0
M V30 32 H -0.049700 -0.719500 1.558000 0
M V30 33 H -0.831000 -0.529000 2.257000 0
M V30 34 H -0.167000 0.262800 1.997000 0
M V30 35 H -3.029000 -0.040600 0.591400 0
M V30 36 H 2.615300 -2.051400 -0.584000 0
M V30 37 H 3.144800 -1.177900 -0.891500 0
M V30 38 H 2.457800 -1.632100 -1.569400 0
M V30 39 H 1.219000 -2.540800 -0.569600 0
M V30 40 H 1.061100 -2.120600 -1.555200 0
M V30 41 H 0.250500 -2.199100 -0.863900 0
M V30 42 H 2.204400 1.196400 1.675600 0
M V30 43 H 2.792500 2.008900 1.370800 0
M V30 44 H -3.144800 0.485500 -0.624700 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 17
M V30 2 1 1 44
M V30 3 2 2 19
M V30 4 1 3 7
M V30 5 1 3 9
M V30 6 1 3 10
M V30 7 2 4 7
M V30 8 1 4 16
M V30 9 1 5 10
M V30 10 1 5 27
M V30 11 1 5 28
M V30 12 1 6 19
M V30 13 1 6 42
M V30 14 1 6 43
M V30 15 1 7 8
M V30 16 1 8 11
M V30 17 2 8 14
M V30 18 2 9 12
M V30 19 1 9 13 CFG=1
M V30 20 2 10 11
M V30 21 1 11 19
M V30 22 1 12 17
M V30 23 1 12 20
M V30 24 2 13 18
M V30 25 1 13 21
M V30 26 1 14 15
M V30 27 1 14 25
M V30 28 2 15 16
M V30 29 1 15 23
M V30 30 1 16 24
M V30 31 2 17 22
M V30 32 1 18 22
M V30 33 1 18 26
M V30 34 1 20 29
M V30 35 1 20 30
M V30 36 1 20 31
M V30 37 1 21 32
M V30 38 1 21 33
M V30 39 1 21 34
M V30 40 1 22 35
M V30 41 1 23 36
M V30 42 1 23 37
M V30 43 1 23 38
M V30 44 1 24 39
M V30 45 1 24 40
M V30 46 1 24 41
M V30 END BOND
M V30 END CTAB
M END
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