HMDB0253450 RDKit 3D Indeloxazine 34 36 0 0 0 0 0 0 0 0999 V2000 4.6995 0.7549 0.9748 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7850 -0.5350 0.7413 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5212 -1.0509 0.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1363 -2.3351 -0.1911 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8728 -2.5636 -0.6714 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9991 -1.4904 -0.7529 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3359 -0.2183 -0.3775 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5249 0.8151 -0.4472 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6767 1.2977 -0.7512 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8950 0.8171 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0620 1.6370 -0.5384 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3339 1.1170 -0.1491 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2290 0.0182 0.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2510 -1.0338 0.2867 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -0.5160 -0.1541 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6437 -0.0107 0.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3401 1.1911 0.5973 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4935 1.4122 1.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6575 -1.1488 0.9155 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8659 -3.1175 -0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5460 -3.5666 -0.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0159 -1.7493 -1.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9706 1.1841 -1.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6456 2.4334 -0.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7671 1.1418 1.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0347 1.7013 -1.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9808 2.6849 -0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9441 0.9040 -0.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8379 0.4232 1.7264 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1951 -0.4480 0.9591 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0906 -1.7760 1.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7437 -1.5295 -0.6002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8264 1.5906 1.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4564 1.9659 -0.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 7 16 2 0 16 17 1 0 17 1 1 0 16 3 1 0 15 10 1 0 1 18 1 0 2 19 1 0 4 20 1 0 5 21 1 0 6 22 1 0 9 23 1 0 9 24 1 0 10 25 1 0 11 26 1 0 11 27 1 0 12 28 1 0 13 29 1 0 13 30 1 0 14 31 1 0 14 32 1 0 17 33 1 0 17 34 1 0 M END