Chem3D Core 12.0.205252112203D 0 0 0 0 0 0 V3000 M V30 BEGIN CTAB M V30 COUNTS 29 35 0 0 0 M V30 BEGIN ATOM M V30 1 O 4.494000 7.420000 2.099000 0 M V30 2 O 5.032000 9.020000 0.615000 0 M V30 3 O 0.952000 13.569000 3.790000 0 M V30 4 O -2.245000 16.539000 9.051000 0 M V30 5 O -2.809000 14.649000 10.126000 0 M V30 6 C 3.929000 9.714000 2.674000 0 CFG=3 VAL=3 M V30 7 C -1.850000 14.469000 7.925000 0 CFG=3 VAL=3 M V30 8 C -2.751000 15.226000 8.854000 0 VAL=3 M V30 9 C 4.908000 8.772000 1.989000 0 VAL=3 M V30 10 C 3.554000 10.912000 2.079000 0 VAL=2 M V30 11 N 0.842000 12.184000 5.614000 0 VAL=2 M V30 12 C 3.436000 9.399000 3.936000 0 VAL=2 M V30 13 N 1.269000 12.489000 4.446000 0 CFG=3 M V30 14 C -1.239000 13.272000 8.313000 0 VAL=2 M V30 15 C 2.556000 10.264000 4.581000 0 VAL=2 M V30 16 C -1.602000 14.980000 6.668000 0 CFG=2 VAL=3 M V30 17 C 3.645000 7.183000 0.966000 0 VAL=2 M V30 18 C 2.190000 11.457000 3.941000 0 CFG=2 M V30 19 C 2.689000 11.786000 2.707000 0 VAL=2 M V30 20 C 3.951000 8.302000 0.003000 0 VAL=2 M V30 21 C -0.052000 12.981000 6.309000 0 CFG=3 VAL=3 M V30 22 C -0.372000 12.628000 7.451000 0 CFG=1 VAL=3 M V30 23 C -3.197000 15.716000 11.003000 0 VAL=2 M V30 24 C -0.699000 14.155000 5.838000 0 VAL=2 M V30 25 C -2.754000 16.968000 10.294000 0 VAL=2 M V30 26 N 0.709000 12.990000 4.891000 0 CFG=3 M V30 27 N 1.235000 11.857000 5.150000 0 VAL=2 M V30 28 C -0.194000 13.424000 6.015000 0 CFG=3 VAL=3 M V30 29 C -0.770000 14.647000 5.703000 0 VAL=2 M V30 END ATOM M V30 BEGIN BOND M V30 1 1 1 9 M V30 2 1 1 17 M V30 3 1 2 9 M V30 4 1 2 20 M V30 5 1 3 13 M V30 6 1 3 26 M V30 7 1 4 8 M V30 8 1 4 25 M V30 9 1 5 8 M V30 10 1 5 23 M V30 11 1 6 9 M V30 12 1 6 10 M V30 13 1 6 12 M V30 14 1 7 8 M V30 15 1 7 14 M V30 16 1 7 16 M V30 17 1 10 19 M V30 18 1 11 13 M V30 19 1 11 21 M V30 20 1 12 15 M V30 21 1 13 18 M V30 22 1 14 22 M V30 23 1 15 18 M V30 24 1 16 24 M V30 25 1 16 29 M V30 26 1 17 20 M V30 27 1 18 19 M V30 28 1 18 27 M V30 29 1 21 22 M V30 30 1 21 24 M V30 31 1 22 28 M V30 32 1 23 25 M V30 33 1 26 27 M V30 34 1 26 28 M V30 35 1 28 29 M V30 END BOND M V30 END CTAB M END