HMDB0254201 RDKit 3D Lumiflavin 31 33 0 0 0 0 0 0 0 0999 V2000 -3.8981 1.4202 -0.2311 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5630 0.7963 -0.1334 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4259 1.5779 -0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1707 1.0099 0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9272 1.7782 0.0829 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1659 1.2367 0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2958 2.0138 0.2361 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 3.2667 0.2104 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5011 1.4260 0.3246 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0841 0.3511 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7611 -0.4042 0.4354 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5185 -0.7285 0.2919 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2949 -0.2066 0.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1696 -0.9632 0.1400 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2784 -2.4109 0.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0329 -0.3722 0.0516 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 -1.1472 -0.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4361 -0.5756 -0.1044 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6068 -1.4891 -0.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5879 0.9407 0.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8053 2.4993 0.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2527 1.3433 -1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4689 2.6633 -0.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3872 2.0162 0.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0174 -2.8058 -0.8263 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6438 -2.8559 0.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3270 -2.6892 0.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0357 -2.2253 0.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5421 -0.9430 -0.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6571 -2.0993 0.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4198 -2.1564 -1.0550 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 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 18 2 1 0 16 4 2 0 13 6 1 0 1 20 1 0 1 21 1 0 1 22 1 0 3 23 1 0 9 24 1 0 15 25 1 0 15 26 1 0 15 27 1 0 17 28 1 0 19 29 1 0 19 30 1 0 19 31 1 0 M END