HMDB0033662 RDKit 3D (S)-5'-Deoxy-5'-(methylsulfinyl)adenosine 36 38 0 0 0 0 0 0 0 0999 V2000 5.1167 1.4303 -0.7738 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1196 0.0871 -0.1477 S 0 0 0 0 0 4 0 0 0 0 0 0 4.8897 -0.7379 0.8590 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5636 0.6798 0.5571 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8174 -0.5497 1.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 -0.2649 1.6124 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3783 -0.9775 1.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3197 -0.1249 0.2715 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0754 0.5856 -0.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1818 1.2552 -1.2370 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1531 0.9814 -0.3749 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4641 1.3978 -0.3124 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0772 2.2765 -1.2412 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2114 0.9361 0.7025 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6676 0.0870 1.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3877 -0.3179 1.5607 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6095 0.1169 0.5683 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2317 -1.9899 0.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4680 -2.1234 -1.1185 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6266 -1.4714 -0.1073 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5642 -2.4853 -0.0521 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8035 1.8427 -0.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7844 0.9917 -1.5689 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5108 2.1958 -1.2786 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9764 1.0906 -0.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7051 1.4388 1.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4540 -1.0412 1.8256 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9713 -1.5109 1.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1415 0.6421 -1.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8057 3.2925 -1.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7568 1.9995 -1.9542 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3496 -0.2377 2.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2368 -3.0092 0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1607 -2.2532 -1.8786 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7003 -0.9035 -1.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1461 -3.3289 0.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 7 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 20 5 1 0 17 8 1 0 17 11 1 0 1 22 1 0 1 23 1 0 1 24 1 0 4 25 1 0 4 26 1 0 5 27 1 0 7 28 1 0 9 29 1 0 13 30 1 0 13 31 1 0 15 32 1 0 18 33 1 0 19 34 1 0 20 35 1 0 21 36 1 0 M END