HMDB0014744 RDKit 3D Cyclothiazide 40 43 0 0 0 0 0 0 0 0999 V2000 6.2302 1.2480 0.3513 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7176 -0.3788 0.6783 S 0 0 0 0 0 6 0 0 0 0 0 0 6.3575 -1.3414 -0.2532 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2023 -0.6967 2.0777 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9635 -0.4465 0.6126 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2139 0.6887 0.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8510 0.5421 0.3029 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2607 -0.6756 0.5382 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0127 -1.8153 0.8183 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3651 -1.6789 0.8508 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3604 -3.0937 1.2013 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.1541 -0.7670 0.4920 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9349 0.0269 -0.4477 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3329 -0.5040 -0.4273 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2826 0.2123 -1.3649 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4968 0.3928 -0.4776 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9496 -0.9509 -0.0462 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1140 -1.4267 0.9063 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9764 -0.4585 0.9296 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7835 0.8461 0.8108 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8359 1.4179 -0.1225 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8208 1.9072 -0.0344 S 0 0 0 0 0 6 0 0 0 0 0 0 0.9263 2.8385 1.1574 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2525 2.6821 -1.2290 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7634 1.8831 1.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9228 1.5102 -0.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7127 1.6351 0.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5117 -2.7740 1.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6259 -1.4419 1.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5416 -0.1073 -1.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3346 -1.5723 -0.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9462 1.2219 -1.6503 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5455 -0.4083 -2.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2420 1.0670 -0.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8206 -1.4611 -0.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2847 -2.3067 1.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3379 -0.5058 1.7766 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1549 1.7012 0.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4882 0.9675 1.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2622 2.0226 -0.8590 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 1 0 13 21 1 0 21 22 1 0 22 23 2 0 22 24 2 0 10 5 1 0 19 14 1 0 22 7 1 0 20 16 1 0 1 25 1 0 1 26 1 0 6 27 1 0 9 28 1 0 12 29 1 0 13 30 1 0 14 31 1 0 15 32 1 0 15 33 1 0 16 34 1 0 17 35 1 0 18 36 1 0 19 37 1 0 20 38 1 0 20 39 1 0 21 40 1 0 M END