HMDB0259730 RDKit 3D usnic acid 41 43 0 0 0 0 0 0 0 0999 V2000 -4.8662 1.4227 -1.2703 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4331 1.1221 -1.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9301 1.3464 -2.6633 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5525 0.5665 -0.5052 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0508 0.2971 0.7711 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3759 0.5591 1.0586 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2231 -0.2266 1.7345 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7380 -0.5206 3.1102 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8977 -0.4847 1.4277 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1172 -1.0096 2.4308 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 -0.2409 0.1931 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2258 0.2967 -0.7687 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5314 0.5053 -1.9668 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7605 0.1458 -1.8531 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8322 0.2024 -2.6172 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1191 -0.3213 -2.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9624 -0.8969 -2.7932 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4028 -0.1408 -0.6282 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3903 0.9586 -0.4591 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8185 1.3106 0.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8424 1.5613 -1.4242 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1225 0.1561 0.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1036 0.8650 1.0317 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9148 -0.4610 -0.4736 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2241 -1.9527 -0.6271 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3006 1.8880 -2.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9960 2.1853 -0.4761 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4587 0.5301 -0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8038 0.3945 1.9424 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5307 -1.3006 3.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2523 0.3964 3.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9413 -0.7953 3.7997 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8486 -1.2193 2.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7841 0.6104 -3.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8204 -1.1243 -0.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1842 2.0919 1.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8833 1.6769 0.8766 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8202 0.3680 1.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6184 -2.2043 -1.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8791 -2.2167 0.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2524 -2.4834 -0.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 19 21 2 0 18 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 12 4 1 0 24 14 1 0 24 11 1 0 1 26 1 0 1 27 1 0 1 28 1 0 6 29 1 0 8 30 1 0 8 31 1 0 8 32 1 0 10 33 1 0 15 34 1 0 18 35 1 0 20 36 1 0 20 37 1 0 20 38 1 0 25 39 1 0 25 40 1 0 25 41 1 0 M END