HMDB0061080 RDKit 3D cevimeline cis-sulfoxide 30 32 0 0 0 0 0 0 0 0999 V2000 3.5971 -0.8005 -1.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4099 0.0801 -0.8399 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3586 -0.6342 -0.3141 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3746 0.2040 0.1182 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9480 1.1117 1.1868 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6704 1.2635 0.5479 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2701 0.9609 -1.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7133 0.6828 -1.0792 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3114 1.0788 0.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7975 0.2160 1.3277 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6923 -0.6385 0.7873 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2618 -1.5847 -0.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9112 -0.7290 -1.3188 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7361 -0.9375 -2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3686 -1.8333 -0.6516 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5297 -0.4360 -0.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1558 0.6989 -1.7141 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9343 0.6684 2.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4931 2.1132 1.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0795 2.0350 -1.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1373 0.5673 -1.9763 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3949 0.9813 0.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0321 2.1441 0.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4042 0.8244 2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6092 -0.4715 1.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1969 -1.1603 1.6308 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0027 -2.2331 0.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4955 -2.2631 -0.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0186 -0.9106 -1.2887 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5223 -0.9981 -2.3042 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