HMDB0248730 RDKit 3D Aurin 36 38 0 0 0 0 0 0 0 0999 V2000 0.7802 5.4592 0.0744 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6037 4.1942 0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7249 3.3083 -0.1882 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5376 1.9915 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2217 1.4501 0.1602 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0747 0.1285 0.1882 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1975 -0.7706 -0.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6876 -1.7057 0.7876 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7198 -2.5265 0.3538 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2610 -2.4348 -0.9101 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2910 -3.2552 -1.3398 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7485 -1.4823 -1.7769 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7281 -0.6520 -1.3871 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2728 -0.3983 0.3797 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2889 0.0107 -0.4995 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5485 -0.4476 -0.3285 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8645 -1.3185 0.7018 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1758 -1.7537 0.8245 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8936 -1.7385 1.5802 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5880 -1.2547 1.3921 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8929 2.3446 0.4498 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7214 3.6784 0.4247 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7140 3.6954 -0.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4096 1.3845 -0.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3232 -1.8157 1.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1433 -3.2809 1.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2730 -2.9696 -1.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1419 -1.3643 -2.7968 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3093 0.0946 -2.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0129 0.6926 -1.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3189 -0.1057 -1.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8975 -1.4622 0.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1148 -2.4285 2.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8735 -1.6102 2.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8906 1.9853 0.7081 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5361 4.3573 0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 3 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 2 0 6 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 5 21 1 0 21 22 2 0 22 2 1 0 13 7 1 0 20 14 1 0 3 23 1 0 4 24 1 0 8 25 1 0 9 26 1 0 11 27 1 0 12 28 1 0 13 29 1 0 15 30 1 0 16 31 1 0 18 32 1 0 19 33 1 0 20 34 1 0 21 35 1 0 22 36 1 0 M END