HMDB0014882 RDKit 3D Zileuton 28 29 0 0 0 0 0 0 0 0999 V2000 1.9075 -0.7568 -2.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5394 0.4737 -1.2996 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1789 0.3538 -0.7143 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8239 -0.5325 -0.9222 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9706 -0.3634 -0.2124 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1410 -1.1490 -0.2557 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2050 -0.8324 0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2481 0.2245 1.3995 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1051 1.0030 1.4508 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0067 0.6927 0.6519 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4682 1.4081 0.4546 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4504 0.7286 -0.2115 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1535 1.9087 -0.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6633 -0.1437 0.8616 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5737 0.1773 1.8908 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0351 -1.2266 0.9086 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6461 -1.6985 -1.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0139 -0.7171 -2.2462 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4526 -0.6513 -3.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5771 1.3290 -1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6610 -1.3511 -1.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2161 -2.0058 -0.9046 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1215 -1.4435 0.5003 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1169 0.4317 2.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0592 1.8544 2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0681 1.6723 0.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5692 0.4445 1.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3144 0.1696 2.9218 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 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 2 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 14 16 2 0 11 3 1 0 10 5 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 4 21 1 0 6 22 1 0 7 23 1 0 8 24 1 0 9 25 1 0 13 26 1 0 15 27 1 0 15 28 1 0 M END