HMDB0254474 RDKit 3D mescaline 32 32 0 0 0 0 0 0 0 0999 V2000 -2.2678 -2.7071 -1.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4796 -1.3974 -0.9410 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4033 -0.5849 -0.5804 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0964 -1.0166 -0.6666 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9686 -0.2186 -0.3119 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 -0.6673 -0.3982 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8577 -1.3219 0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2397 -1.7309 0.7128 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6713 1.0531 0.1413 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6218 1.5322 0.2457 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8906 2.8327 0.7111 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1853 3.6753 1.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6561 0.6952 -0.1216 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9788 1.1695 -0.0206 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6613 0.9543 1.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4199 -2.7859 -2.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1510 -3.4422 -0.5774 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1776 -3.0382 -1.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1323 -2.0199 -1.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 0.1941 -0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4381 -1.3595 -1.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2647 -2.2756 0.9829 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7140 -0.7195 1.7622 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6163 -1.5494 -0.2287 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8469 -1.3599 1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5188 1.6762 0.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0081 3.6478 0.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6332 3.3860 2.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1326 4.7358 1.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5518 0.3070 1.0717 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0161 0.4217 1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0161 1.9138 1.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 5 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 10 13 2 0 13 14 1 0 14 15 1 0 13 3 1 0 1 16 1 0 1 17 1 0 1 18 1 0 4 19 1 0 6 20 1 0 6 21 1 0 7 22 1 0 7 23 1 0 8 24 1 0 8 25 1 0 9 26 1 0 12 27 1 0 12 28 1 0 12 29 1 0 15 30 1 0 15 31 1 0 15 32 1 0 M END