HMDB0015614 RDKit 3D Ibudilast 35 36 0 0 0 0 0 0 0 0999 V2000 2.8475 0.6942 0.7625 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3582 -0.5418 0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4888 -0.9487 -0.9069 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1552 -0.2988 -0.7841 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 -0.4984 -2.0195 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1092 0.1613 -0.2489 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1076 -0.6824 0.1952 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0872 -2.1448 0.1551 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2061 -2.6486 1.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5421 -2.6040 -1.2493 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1010 0.0858 0.6298 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8101 1.3545 0.4919 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5322 2.4636 0.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9558 3.6848 0.5339 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6916 3.8013 -0.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0144 2.6638 -0.3237 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5683 1.4428 -0.0557 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6276 0.3136 1.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0075 1.0718 1.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2476 1.4725 0.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2010 -1.3002 0.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4992 -0.7423 -0.4453 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4052 -2.0073 -1.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4577 -0.3356 -1.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1304 -2.6281 0.3489 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7785 -2.9191 2.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7522 -3.5112 0.6308 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9450 -1.8486 1.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6678 -2.5810 -1.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1442 -3.6220 -1.4222 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1406 -1.8760 -1.9695 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5131 2.4539 1.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4704 4.5999 0.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2753 4.7839 -0.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0089 2.6915 -0.7651 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 7 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 6 2 0 17 12 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 3 24 1 0 8 25 1 0 9 26 1 0 9 27 1 0 9 28 1 0 10 29 1 0 10 30 1 0 10 31 1 0 13 32 1 0 14 33 1 0 15 34 1 0 16 35 1 0 M END