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