HMDB0014702 RDKit 3D Benzthiazide 40 42 0 0 0 0 0 0 0 0999 V2000 6.2938 1.2477 -1.5890 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9991 -0.4019 -1.2396 S 0 0 0 0 0 6 0 0 0 0 0 0 6.1385 -1.2220 -2.5160 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0933 -0.8863 -0.3341 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4103 -0.6421 -0.5387 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5480 0.4083 -0.3202 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2971 0.2558 0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8233 -0.9743 0.5968 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6975 -2.0495 0.3767 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9491 -1.8880 -0.1727 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0330 -3.2396 -0.4426 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5391 -1.2056 1.1705 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4186 -0.1949 1.4354 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7550 -0.5603 2.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6975 0.9625 2.3156 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0927 1.6688 0.6942 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0414 0.7577 0.0287 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4043 0.9926 0.2163 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2955 0.1557 -0.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8769 -0.8973 -1.1681 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5101 -1.1322 -1.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6025 -0.2857 -0.7436 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1934 1.0398 1.1708 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2530 1.6513 0.4764 S 0 0 0 0 0 6 0 0 0 0 0 0 1.9037 2.6310 1.4285 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9165 2.3140 -0.8427 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5722 1.3401 -2.5707 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9019 1.7074 -0.9047 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8925 1.3973 -0.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3396 -3.0275 0.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2618 -2.1850 1.4214 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6161 -1.0285 3.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2646 -1.2728 1.4032 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5497 2.6724 0.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1662 1.7820 0.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7226 1.8067 0.8179 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3537 0.3150 -0.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5759 -1.5548 -1.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1714 -1.9566 -1.9659 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5548 -0.4504 -0.8760 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 8 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 13 23 2 0 23 24 1 0 24 25 2 0 24 26 2 0 10 5 1 0 22 17 1 0 24 7 1 0 1 27 1 0 1 28 1 0 6 29 1 0 9 30 1 0 12 31 1 0 14 32 1 0 14 33 1 0 16 34 1 0 16 35 1 0 18 36 1 0 19 37 1 0 20 38 1 0 21 39 1 0 22 40 1 0 M END