HMDB0243722 RDKit 3D (S)-Bendroflumethiazide 41 43 0 0 0 0 0 0 0 0999 V2000 6.1244 0.9639 0.5848 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0058 1.4205 -0.6268 S 0 0 0 0 0 6 0 0 0 0 0 0 5.6828 1.2490 -1.9513 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7677 2.9234 -0.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5478 0.5270 -0.4565 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3918 1.2766 -0.1576 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1882 0.6973 0.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0888 -0.6741 -0.1257 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2186 -1.4317 -0.4205 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4679 -0.8195 -0.5885 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6546 -1.6251 -0.9016 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2851 -1.2766 -2.0821 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1709 -2.9311 -1.1843 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -1.8315 0.1516 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1738 -1.2628 0.0481 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4539 -0.6963 -0.1783 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4803 -1.1567 0.8421 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8033 -0.5728 0.6103 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0953 0.6334 1.2297 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3287 1.2299 1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2397 0.5827 0.2333 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9507 -0.6242 -0.3879 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7236 -1.1992 -0.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5530 0.7090 -0.3296 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2518 1.6006 0.3706 S 0 0 0 0 0 6 0 0 0 0 0 0 -0.4395 1.8007 1.8450 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2494 2.9585 -0.2659 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7276 0.4925 1.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9189 0.4170 0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4682 2.3618 -0.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1514 -2.5023 -0.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1687 -2.2753 0.3972 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8235 -1.1437 -1.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5735 -2.2674 0.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1255 -1.0179 1.8855 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3895 1.1525 1.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5607 2.1814 1.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2092 1.0315 0.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6604 -1.1291 -1.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4277 -2.1457 -0.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6914 1.0377 -1.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 2 0 2 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 13 1 0 11 14 1 0 8 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 16 24 1 0 24 25 1 0 25 26 2 0 25 27 2 0 10 5 1 0 23 18 1 0 25 7 1 0 1 28 1 0 1 29 1 0 6 30 1 0 9 31 1 0 15 32 1 0 16 33 1 0 17 34 1 0 17 35 1 0 19 36 1 0 20 37 1 0 21 38 1 0 22 39 1 0 23 40 1 0 24 41 1 0 M END