HMDB0061079 RDKit 3D cevimeline trans-sulfoxide 30 32 0 0 0 0 0 0 0 0999 V2000 2.9299 1.4114 -0.3955 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5568 0.1156 -1.0316 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2416 -0.0926 -1.2447 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5103 -0.2634 -0.1452 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2016 -1.0596 0.9068 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8895 -1.1932 0.2189 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 1.0484 0.3755 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4652 1.0027 0.5993 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2382 0.8020 -0.5934 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5840 -0.2566 -1.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7212 -1.0988 -0.5418 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5771 -1.3801 0.6739 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7198 -0.1371 1.4923 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0511 1.5104 -0.4883 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7433 1.3377 0.6949 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4624 2.2998 -0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1204 -0.0956 -1.9613 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8027 -2.0542 1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3087 -0.4489 1.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1477 1.8786 -0.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4294 1.3465 1.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3647 1.7124 -1.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2473 0.4489 -0.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0053 0.1870 -2.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3841 -0.9430 -1.8428 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4234 -2.0486 -1.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5932 -1.6544 0.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2263 -2.2598 1.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7545 -0.0156 1.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0453 -0.0997 2.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 3 1 6 4 5 1 0 5 6 1 0 4 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 6 2 1 0 13 8 1 0 11 4 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 6 5 18 1 0 5 19 1 0 7 20 1 0 7 21 1 0 9 22 1 0 9 23 1 0 10 24 1 0 10 25 1 0 11 26 1 0 12 27 1 0 12 28 1 0 13 29 1 0 13 30 1 0 M END