HMDB0240235 RDKit 3D Thiazinamium 44 46 0 0 0 0 0 0 0 0999 V2000 -0.9673 -0.8972 1.6015 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2430 0.0734 0.4893 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3973 -0.1361 -0.7363 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0290 -0.0272 -0.4924 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7974 -1.1855 -0.1942 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1810 -2.4421 -0.1836 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8752 -3.6106 0.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2169 -3.5009 0.3554 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8501 -2.2849 0.3522 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1559 -1.1554 0.0835 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0696 0.3807 0.0875 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8693 1.6408 -0.3161 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3504 2.9184 -0.3636 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4890 3.9458 -0.6549 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1703 3.6742 -0.8911 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6814 2.3706 -0.8422 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5589 1.3170 -0.5455 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6434 0.0512 0.1062 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.0567 1.3761 -0.3188 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9208 -0.8678 -0.9519 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4897 -0.2997 1.2436 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2449 -1.9294 1.4065 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5363 -0.5198 2.5004 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0929 -0.8181 1.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0859 1.0859 0.9394 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6619 -1.1838 -1.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7511 0.5307 -1.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1363 -2.5701 -0.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3472 -4.5430 0.0828 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7617 -4.4189 0.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9388 -2.2709 0.5763 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 3.1319 -0.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8546 4.9632 -0.6965 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4390 4.4621 -1.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3690 2.2057 -1.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1562 1.4689 -0.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5083 2.1696 0.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8033 1.4414 -1.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6291 -0.5121 -1.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0407 -0.9914 -0.9902 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5405 -1.8945 -0.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3828 0.4325 2.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3246 -1.3465 1.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5392 -0.2343 0.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 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 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 2 18 1 0 18 19 1 0 18 20 1 0 18 21 1 0 17 4 1 0 10 5 1 0 17 12 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 6 28 1 0 7 29 1 0 8 30 1 0 9 31 1 0 13 32 1 0 14 33 1 0 15 34 1 0 16 35 1 0 19 36 1 0 19 37 1 0 19 38 1 0 20 39 1 0 20 40 1 0 20 41 1 0 21 42 1 0 21 43 1 0 21 44 1 0 M CHG 1 18 1 M END