HMDB0001185 RDKit 3D S-Adenosylmethionine 50 52 0 0 0 0 0 0 0 0999 V2000 2.6869 -2.5346 -0.4868 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8008 -1.1102 -0.9998 S 0 0 0 0 0 3 0 0 0 0 0 0 3.0086 0.1090 -1.4835 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8589 0.3869 -0.2864 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9384 1.4106 -0.5465 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3921 2.6894 -0.9557 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9607 0.9208 -1.5092 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2653 1.5830 -2.5302 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6107 -0.2870 -1.3070 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8157 -0.3918 0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2299 -1.2882 0.8305 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9212 -0.6015 1.8059 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2654 -0.6667 1.5816 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8137 0.4888 0.9063 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2394 1.6763 0.6401 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1040 2.4616 -0.0034 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2343 1.7747 -0.1493 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4606 2.0885 -0.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6583 3.3602 -1.3274 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4694 1.2038 -0.7568 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2957 -0.0006 -0.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1223 -0.3081 0.3627 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0681 0.5260 0.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4692 -1.8767 0.7391 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2961 -3.0023 1.5679 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2290 -1.7926 -0.1674 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9925 -3.1185 -0.5485 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5153 -2.7014 -1.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1749 -2.4071 0.4807 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0883 -3.4642 -0.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5188 1.0465 -1.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6683 -0.2976 -2.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2110 0.8116 0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3504 -0.5467 0.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4609 1.5769 0.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2146 3.3432 -1.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8569 3.0494 -0.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1137 -0.5476 -0.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3890 0.5524 -0.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4784 -0.0832 1.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2647 -2.1521 1.3175 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7705 -0.7348 2.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2430 1.9695 0.8959 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5929 3.8204 -1.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9045 3.8448 -1.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0739 -0.7443 -0.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3849 -1.9177 0.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5106 -3.5448 1.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4175 -1.1281 -1.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8764 -3.4457 -0.9073 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 1 0 5 7 1 0 7 8 2 0 7 9 1 0 2 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 13 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 26 11 1 0 23 14 1 0 23 17 1 0 1 28 1 0 1 29 1 0 1 30 1 0 3 31 1 0 3 32 1 0 4 33 1 0 4 34 1 0 5 35 1 1 6 36 1 0 6 37 1 0 9 38 1 0 10 39 1 0 10 40 1 0 11 41 1 1 13 42 1 1 15 43 1 0 19 44 1 0 19 45 1 0 21 46 1 0 24 47 1 6 25 48 1 0 26 49 1 6 27 50 1 0 M CHG 1 2 1 M END