HMDB0059609 RDKit 3D albendazole S-oxide 34 35 0 0 0 0 0 0 0 0999 V2000 -6.2734 1.1138 0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4427 0.4228 -0.4107 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0505 0.2010 0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0368 -0.6180 -1.1078 S 0 0 0 0 0 4 0 0 0 0 0 0 -3.0429 0.1435 -2.4044 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4081 -0.8837 -0.4734 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0968 -2.0403 0.1949 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1856 -2.2621 0.7005 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 -1.2856 0.5133 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4383 -1.1861 0.8637 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9764 -0.0233 0.4545 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3169 0.4395 0.6393 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 -0.2136 0.1194 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0501 -1.3583 -0.6161 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5815 0.2206 0.2897 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8913 1.5342 0.6378 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9784 0.6356 -0.1796 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8579 -0.1018 -0.1607 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4174 0.0710 -0.6399 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2578 1.4067 0.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7482 1.9902 1.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5332 0.3611 1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3570 1.0599 -1.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9178 -0.5316 -0.6605 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6012 1.1215 0.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1581 -0.4915 1.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8504 -2.8111 0.3436 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4760 -3.1523 1.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4850 -2.0999 -0.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4503 1.8495 1.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0061 1.6304 0.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5739 2.2849 -0.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 1.5790 -0.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6331 0.9940 -1.1632 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 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 3 13 14 1 0 13 15 1 0 15 16 1 0 11 17 1 0 17 18 1 0 18 19 2 0 19 6 1 0 18 9 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 7 27 1 0 8 28 1 0 14 29 1 0 16 30 1 0 16 31 1 0 16 32 1 0 17 33 1 0 19 34 1 0 M END