HMDB0037001 RDKit 3D Santene hydrate 26 27 0 0 0 0 0 0 0 0999 V2000 -1.5107 -1.3766 0.5472 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7479 -0.6990 -0.5271 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6705 -1.1869 -0.6865 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4255 -1.1601 0.6195 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4188 0.3338 0.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8336 1.0311 -0.2496 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2891 0.0569 -1.3545 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6548 0.7969 -0.3771 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4346 1.3373 0.7742 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0724 1.4458 -1.5381 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7606 -2.4132 0.1818 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0203 -1.4601 1.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4686 -0.8629 0.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2691 -0.9119 -1.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7901 -2.0820 -1.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9924 -1.7706 1.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4445 -1.5258 0.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9073 0.5455 1.8848 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4795 0.6515 1.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1588 2.0406 -0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 0.3464 -2.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3688 -0.0069 -1.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1521 2.4032 0.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3046 0.7732 1.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5102 1.3431 0.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6272 2.3507 -1.5108 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 8 10 1 0 8 2 1 0 7 3 1 0 1 11 1 0 1 12 1 0 1 13 1 0 2 14 1 0 3 15 1 0 4 16 1 0 4 17 1 0 5 18 1 0 5 19 1 0 6 20 1 0 7 21 1 0 7 22 1 0 9 23 1 0 9 24 1 0 9 25 1 0 10 26 1 0 M END