HMDB0256864 RDKit 3D Prosultiamine 47 47 0 0 0 0 0 0 0 0999 V2000 -4.4316 3.6011 0.2668 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8597 2.1658 0.4943 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6270 1.4107 0.9668 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3099 1.4796 -0.2771 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 0.4364 0.4107 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6648 -1.3273 -0.0703 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8328 -1.6620 -0.8542 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2463 -3.0108 -1.2224 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4487 -2.8041 -2.0224 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3287 -2.0873 0.3619 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2793 -3.5578 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4297 -1.7479 1.1504 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3881 -2.6973 1.5878 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3735 -2.2601 2.3091 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6397 -0.3980 1.6134 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5214 0.4455 0.8108 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2454 1.4080 1.5376 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0264 2.2619 0.8958 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1767 2.2705 -0.4321 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0478 3.2285 -1.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4949 1.3603 -1.1316 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6873 0.4673 -0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0868 -0.4178 -1.2558 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1922 4.1190 -0.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4350 3.5575 -0.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2958 4.0766 1.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1867 1.6803 -0.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6156 2.0594 1.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9159 0.3463 1.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2845 1.7668 1.9569 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9039 -1.0242 -1.7961 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7354 -1.2388 -0.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6506 -3.6161 -1.8887 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7236 -3.5850 -0.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8290 -3.7153 -2.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4812 -3.5536 -1.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6254 -4.0513 0.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1031 -4.1553 0.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3594 -3.7312 1.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2465 -0.5189 2.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7810 0.1163 2.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1714 1.4609 2.6262 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1043 2.9862 -0.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8027 3.2924 -2.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8908 4.2490 -0.7308 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5821 1.3287 -2.1818 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2012 -0.4151 -2.2706 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 6 7 1 0 7 8 1 0 8 9 1 0 6 10 2 3 10 11 1 0 10 12 1 0 12 13 1 0 13 14 2 0 12 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 2 3 22 16 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 3 29 1 0 3 30 1 0 7 31 1 0 7 32 1 0 8 33 1 0 8 34 1 0 9 35 1 0 11 36 1 0 11 37 1 0 11 38 1 0 13 39 1 0 15 40 1 0 15 41 1 0 17 42 1 0 20 43 1 0 20 44 1 0 20 45 1 0 21 46 1 0 23 47 1 0 M END