HMDB0013938 RDKit 3D Promazine 5-sulfoxide 41 43 0 0 0 0 0 0 0 0999 V2000 4.2165 -0.8963 0.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -0.6803 0.9528 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1832 0.6182 1.5846 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8427 -0.8460 0.2215 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6510 0.2895 -0.7983 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3851 0.1304 -1.5511 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.1204 -0.7244 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2883 1.3514 -0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6279 2.5528 -0.4971 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0557 3.7811 -0.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1624 3.8547 0.8029 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8203 2.6793 1.0984 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3816 1.4762 0.6012 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3206 0.0644 1.0440 S 0 0 0 0 0 4 0 0 0 0 0 0 -4.7819 0.1897 0.6469 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5597 -1.3451 0.2874 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1219 -2.5687 0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5729 -3.6913 -0.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4546 -3.5559 -0.8174 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8983 -2.3111 -1.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4373 -1.1413 -0.4814 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9224 -1.5483 0.6338 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7231 0.0455 -0.1707 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9302 -1.4706 -0.8357 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0860 0.5578 2.2629 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3369 0.8508 2.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4660 1.4278 0.8609 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9604 -0.8610 0.8804 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9817 -1.7691 -0.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8460 1.2610 -0.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5094 0.1175 -1.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2378 1.0742 -2.1878 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4512 -0.6364 -2.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 2.6053 -1.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5056 4.6770 -0.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4942 4.8060 1.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6939 2.7515 1.7387 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0206 -2.6517 1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0152 -4.6918 0.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9866 -4.4156 -1.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0105 -2.2016 -1.6290 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 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 7 1 0 13 8 1 0 21 16 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 9 34 1 0 10 35 1 0 11 36 1 0 12 37 1 0 17 38 1 0 18 39 1 0 19 40 1 0 20 41 1 0 M END