HMDB0256057 RDKit 3D p-TOLUENESULFONYL FLUORIDE 18 18 0 0 0 0 0 0 0 0999 V2000 -2.9236 0.2829 0.3365 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4541 0.1130 0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9311 -0.8565 -0.6889 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4406 -0.9573 -0.8221 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2846 -0.1006 -0.1343 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0201 -0.2670 -0.3354 S 0 0 0 0 0 6 0 0 0 0 0 0 3.2951 -0.8175 -1.7267 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7103 1.0700 -0.2258 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5714 -1.3403 0.8288 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7636 0.8721 0.6992 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6028 0.9607 0.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3397 -0.4686 1.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1430 1.3039 0.7054 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4608 0.1904 -0.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5630 -1.5216 -1.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9017 -1.6993 -1.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4481 1.5256 1.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0178 1.7099 1.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 8 2 0 6 9 1 0 5 10 1 0 10 11 2 0 11 2 1 0 1 12 1 0 1 13 1 0 1 14 1 0 3 15 1 0 4 16 1 0 10 17 1 0 11 18 1 0 M END