HMDB0060620 RDKit 3D Sulindac sulfone 43 45 0 0 0 0 0 0 0 0999 V2000 -2.4622 2.0572 2.0799 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3211 0.9018 1.1639 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3275 0.2135 0.6504 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7672 0.5260 0.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5122 0.9825 -0.2459 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0464 0.2558 -1.1118 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6432 2.3597 -0.4337 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8224 -0.8584 -0.1984 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4394 -1.8573 -0.9367 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7076 -2.7810 -1.6516 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3309 -3.7675 -2.3802 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3326 -2.7289 -1.6449 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6883 -1.7310 -0.9077 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4273 -0.8182 -0.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0648 0.2953 0.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0929 0.7635 1.0184 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4350 0.3646 0.6648 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3447 0.0451 1.6825 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6573 -0.2689 1.4155 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1388 -0.2836 0.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8100 -0.6733 -0.2365 S 0 0 0 0 0 6 0 0 0 0 0 0 6.8247 0.7593 -0.3474 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8335 -1.3877 -1.5470 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3089 -1.5392 0.8902 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2582 0.0276 -0.8864 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9454 0.3412 -0.6104 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5490 2.2001 2.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2844 1.9249 2.8273 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5666 3.0110 1.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8686 1.2664 1.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2508 -0.4356 1.2637 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8876 3.0236 -0.3703 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5133 -1.9275 -0.9527 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7806 -3.4571 -2.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3594 -1.7136 -0.8919 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 1.6343 1.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9699 0.0571 2.6859 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -0.5144 2.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8764 0.3871 -0.5089 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8217 1.4065 0.5265 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5242 1.3442 -1.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6555 0.0101 -1.8884 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2623 0.5848 -1.4220 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 1 0 5 6 2 0 5 7 1 0 3 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 3 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 21 23 2 0 21 24 2 0 20 25 1 0 25 26 2 0 15 2 1 0 26 17 1 0 14 8 1 0 1 27 1 0 1 28 1 0 1 29 1 0 4 30 1 0 4 31 1 0 7 32 1 0 9 33 1 0 12 34 1 0 13 35 1 0 16 36 1 0 18 37 1 0 19 38 1 0 22 39 1 0 22 40 1 0 22 41 1 0 25 42 1 0 26 43 1 0 M END