HMDB0060561 RDKit 3D Albendazole sulfone 35 36 0 0 0 0 0 0 0 0999 V2000 5.7833 0.6515 -0.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1388 -0.7068 -0.4189 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6978 -0.6814 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7140 0.4399 -0.8838 S 0 0 0 0 0 6 0 0 0 0 0 0 2.7460 0.1268 -2.3533 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2312 1.8322 -0.6516 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0805 0.3856 -0.2604 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6908 1.2351 0.7589 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5707 1.2408 1.2885 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4960 0.3535 0.7772 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8011 0.1255 1.0889 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2814 -0.8510 0.3027 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5711 -1.3590 0.3348 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6411 -0.9761 -0.2007 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8095 -1.7176 0.0249 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7405 0.1295 -0.9978 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8145 1.1692 -0.9866 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2604 -1.2315 -0.5054 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1665 -0.5034 -0.2246 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1247 -0.4849 -0.7421 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6790 1.2656 -1.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8674 0.4874 -0.1276 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3780 1.1365 0.6148 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6793 -1.3810 0.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2666 -1.1624 -1.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7127 -0.3421 1.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2390 -1.6807 0.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4676 1.9226 1.1303 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8587 1.9088 2.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7673 -2.7406 -0.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1926 1.9173 -1.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7725 1.7385 -0.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8064 0.8952 -1.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3235 -1.9711 -1.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3772 -1.1719 -1.5405 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 2 0 4 6 2 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 3 14 15 1 0 14 16 1 0 16 17 1 0 12 18 1 0 18 19 1 0 19 20 2 0 20 7 1 0 19 10 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 8 28 1 0 9 29 1 0 15 30 1 0 17 31 1 0 17 32 1 0 17 33 1 0 18 34 1 0 20 35 1 0 M END