RDKit 3D 29 31 0 0 0 0 0 0 0 0999 V2000 -4.9771 0.2192 0.8189 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8687 0.2581 0.2401 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5728 1.0987 -0.9249 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3898 1.1098 -1.5039 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 0.2581 -0.9762 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7256 0.8939 0.1086 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0342 -0.0817 0.8129 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4018 0.1076 0.4818 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9558 1.3813 0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2737 1.6200 0.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1094 0.5504 -0.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6105 -0.7303 -0.0421 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2605 -0.9451 0.2604 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5959 -1.4082 0.4472 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0315 -2.1100 1.5876 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8618 -0.9928 -0.3008 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7811 -0.5300 0.6779 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3782 1.7258 -1.3035 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 1.7299 -2.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5575 -0.0050 -1.7504 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2030 0.0967 1.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2913 2.2139 0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6882 2.6313 0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1451 0.7617 -0.3552 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2835 -1.5616 -0.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9343 -1.9710 0.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0169 -2.0323 -0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2230 -2.5467 1.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2448 -1.7417 -0.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 15 14 1 0 14 7 1 0 7 6 1 0 6 5 1 0 5 4 1 0 4 3 2 0 3 2 1 0 2 1 2 0 2 17 1 0 17 16 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 16 14 1 0 13 8 1 0 16 5 1 0 15 28 1 0 14 27 1 6 7 21 1 1 5 20 1 6 4 19 1 0 3 18 1 0 16 29 1 6 9 22 1 0 10 23 1 0 11 24 1 0 12 25 1 0 13 26 1 0 M END