HMDB0030481 RDKit 3D Agrocybin 16 15 0 0 0 0 0 0 0 0999 V2000 5.2849 -0.1576 0.9263 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6399 -0.1086 -0.1823 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3582 -0.1472 -1.3881 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2101 -0.0161 -0.1761 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0012 0.0550 -0.1607 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5786 0.1238 -0.1292 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6284 0.1653 -0.0923 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0442 0.2015 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2578 0.2248 -0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7310 0.2432 0.0392 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1587 -0.9232 -0.5758 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7794 -0.1308 1.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3330 0.0742 -1.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0930 0.2958 1.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1372 1.1341 -0.4981 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1350 -1.0342 -0.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 3 0 5 6 1 0 6 7 3 0 7 8 1 0 8 9 3 0 9 10 1 0 10 11 1 0 1 12 1 0 3 13 1 0 10 14 1 0 10 15 1 0 11 16 1 0 M END