HMDB0240381 RDKit 3D HPAA sulfate 24 24 0 0 0 0 0 0 0 0999 V2000 3.0319 -1.9221 0.6626 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3855 -0.5525 0.4136 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1487 0.4228 0.2352 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0024 -0.4596 0.3979 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 0.7044 0.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8053 1.9331 -0.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 3.0350 -0.2379 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3834 2.9757 -0.2259 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9186 1.7260 0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1548 0.6159 0.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7268 -0.6310 0.4314 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1150 -1.7257 -0.7933 S 0 0 0 0 0 6 0 0 0 0 0 0 -1.1912 -1.6456 -1.9605 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5032 -1.4039 -1.2739 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0555 -3.2878 -0.1819 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9178 -1.9374 0.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3130 -2.6732 0.2954 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2435 -1.9673 1.7324 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4538 -1.3616 0.5627 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8842 2.0814 -0.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4654 3.9934 -0.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0070 3.8532 -0.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0118 1.6500 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8181 -3.4231 0.4245 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 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 2 0 12 15 1 0 10 5 1 0 1 16 1 0 1 17 1 0 1 18 1 0 4 19 1 0 6 20 1 0 7 21 1 0 8 22 1 0 9 23 1 0 15 24 1 0 M END