HMDB0240380 RDKit 3D HHPAA sulfate 25 25 0 0 0 0 0 0 0 0999 V2000 2.6842 0.0766 -1.5741 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3033 -0.4853 -0.5436 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2379 -1.5004 0.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3956 -1.6238 -0.6535 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0875 -0.2670 0.1025 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0501 0.6266 -0.2754 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0878 1.4488 -1.3837 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9514 2.3009 -1.7056 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 2.3850 -0.9453 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1414 1.5709 0.1652 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1149 0.7187 0.4969 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2195 -0.0771 1.6218 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8986 -1.6468 1.5685 S 0 0 0 0 0 6 0 0 0 0 0 0 -1.7342 -2.2887 2.9081 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2575 -2.4920 0.5157 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5481 -1.5858 1.2369 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7267 -2.4835 0.1277 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4270 -1.1858 1.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9296 -0.8035 -0.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8749 -0.8235 0.9968 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9749 1.4076 -2.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8641 2.9157 -2.5797 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9156 3.0412 -1.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0512 1.6456 0.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9961 -0.8744 1.7859 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 2 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 2 0 13 16 1 0 11 6 1 0 3 17 1 0 3 18 1 0 4 19 1 0 5 20 1 0 7 21 1 0 8 22 1 0 9 23 1 0 10 24 1 0 16 25 1 0 M END