HMDB0015047 RDKit 3D Tinidazole 29 29 0 0 0 0 0 0 0 0999 V2000 3.5669 0.8503 0.4616 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4795 -0.4338 -0.3307 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9823 -0.4024 -1.2878 S 0 0 0 0 0 6 0 0 0 0 0 0 1.9805 0.7677 -2.2068 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8202 -1.7099 -2.0218 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5844 -0.2640 -0.1872 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6948 -0.2370 -1.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8149 -0.1232 -0.0640 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4564 -1.1626 0.4871 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2211 -2.5569 0.3142 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.3183 -2.9842 -0.4276 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9810 -3.4986 0.9608 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.4391 -0.5974 1.2993 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3276 0.7372 1.1865 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3361 1.0586 0.3537 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8543 2.4101 -0.0686 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6932 1.6715 -0.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4694 0.8626 1.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6463 1.0840 1.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3592 -0.4960 -0.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4188 -1.2664 0.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5871 -1.1056 0.5511 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7138 0.6678 0.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6422 0.7184 -1.5963 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7863 -1.0939 -1.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1411 -1.1866 1.8942 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0091 2.5766 -1.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7796 2.5496 0.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 3.1641 0.4497 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 3 5 2 0 3 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 9 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 8 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 2 21 1 0 6 22 1 0 6 23 1 0 7 24 1 0 7 25 1 0 13 26 1 0 16 27 1 0 16 28 1 0 16 29 1 0 M CHG 2 10 1 12 -1 M END