HMDB0014944 RDKit 3D Pentoxifylline 38 39 0 0 0 0 0 0 0 0999 V2000 5.0859 -1.3859 -0.0757 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1388 -0.2735 -0.4417 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7124 -0.3240 -1.5836 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7764 0.7854 0.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8299 1.7847 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5076 1.2730 -0.4537 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7553 0.6117 0.6361 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 0.0840 0.3338 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6684 0.7662 0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5622 1.9512 0.8320 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8994 0.2411 0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9658 -1.0821 -0.2986 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2588 -1.3477 -0.5185 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9808 -0.2232 -0.2277 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1429 0.7397 0.1717 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4794 2.0823 0.5732 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8027 -1.7562 -0.3974 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 -3.1341 -0.8526 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6217 -1.1965 -0.0935 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4001 -1.9325 -0.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6421 -1.7266 -0.9469 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4442 -2.2177 0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7665 -0.9914 0.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4671 0.3448 1.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7334 1.3197 0.7747 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3251 2.2318 -0.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7506 2.6486 0.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5901 0.5893 -1.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9641 2.1788 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3784 -0.2207 1.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6396 1.3526 1.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0652 -0.1216 -0.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5532 2.2879 0.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9823 2.8141 -0.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0448 2.3254 1.5863 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8097 -3.8199 0.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9352 -3.3175 -1.4443 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7471 -3.3410 -1.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 12 17 1 0 17 18 1 0 17 19 1 0 19 20 2 0 19 8 1 0 15 11 1 0 1 21 1 0 1 22 1 0 1 23 1 0 4 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 7 30 1 0 7 31 1 0 14 32 1 0 16 33 1 0 16 34 1 0 16 35 1 0 18 36 1 0 18 37 1 0 18 38 1 0 M END