HMDB0014824 RDKit 3D Pentosan Polysulfate 53 54 0 0 0 0 0 0 0 0999 V2000 -3.4362 -0.3147 -4.1378 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6785 0.2878 -2.7838 S 0 0 0 0 0 6 0 0 0 0 0 0 -4.9915 -0.2494 -2.2863 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7319 1.9554 -2.9738 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4103 -0.1890 -1.7931 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8529 -1.0088 -0.7539 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1169 -2.3228 -0.8348 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0364 -3.2767 -1.3139 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6454 -2.8067 0.5052 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8815 -1.9031 1.1983 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0339 -0.5914 0.7991 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2568 -0.4069 -0.3425 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6612 0.6006 -0.0541 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5337 1.6660 -1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3987 1.3421 -2.1457 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6569 1.8702 -1.7743 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4708 3.2617 -1.6990 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9695 1.2967 -0.4086 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3139 0.9609 -0.3921 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0886 1.7756 0.8256 S 0 0 0 0 0 6 0 0 0 0 0 0 4.3250 1.6795 2.1355 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3083 3.2237 0.4555 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6175 1.1200 1.1224 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0967 0.0667 -0.1277 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5106 -0.4393 1.0886 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0780 -2.0117 0.9778 S 0 0 0 0 0 6 0 0 0 0 0 0 2.2205 -2.8631 0.0906 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0238 -2.6076 2.3572 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6744 -2.0753 0.4671 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5026 -0.3529 0.5425 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2044 -0.9777 1.5734 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1386 0.0923 2.4416 S 0 0 0 0 0 6 0 0 0 0 0 0 -5.5900 -0.1032 2.1890 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8653 -0.1765 3.9140 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6657 1.6947 2.1779 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3799 2.3651 -2.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9569 -1.1496 -0.8354 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2957 -2.3023 -1.5774 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4522 -2.9734 -2.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5072 -3.1613 1.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0214 -3.7137 0.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7389 0.0856 1.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5486 0.9917 0.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4813 1.7533 -1.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 2.6881 -0.6825 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4113 1.5786 -2.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4981 3.6235 -2.6244 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7809 2.0224 0.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8822 0.5346 0.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2086 -0.6445 -0.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7578 -2.6838 -0.3045 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7691 0.7210 0.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1553 2.0478 1.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 2 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 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 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 2 0 20 23 1 0 18 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 2 0 26 29 1 0 11 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 32 34 2 0 32 35 1 0 30 6 1 0 24 13 1 0 4 36 1 0 6 37 1 6 7 38 1 6 8 39 1 0 9 40 1 0 9 41 1 0 11 42 1 1 13 43 1 1 14 44 1 0 14 45 1 0 16 46 1 6 17 47 1 0 18 48 1 1 23 49 1 0 24 50 1 6 29 51 1 0 30 52 1 6 35 53 1 0 M END