HMDB0036383 RDKit 3D Calystegine B5 25 26 0 0 0 0 0 0 0 0999 V2000 2.7571 1.1576 0.3785 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 0.3787 -0.0872 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3019 -0.7120 0.8496 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2114 -1.4962 0.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8157 -2.4338 -0.6520 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8017 -0.6459 -0.5232 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6965 -1.4555 -1.1863 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 0.3436 -1.4047 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5159 1.1769 -0.4719 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4603 1.3557 0.6555 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4705 0.2200 0.5387 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7154 0.6789 0.1198 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1713 1.6112 -0.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0766 -0.1365 -1.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1859 -1.4006 0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0287 -0.3769 1.8499 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3265 -2.0548 0.9797 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5533 -2.3866 -1.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6104 -1.1241 -1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0681 0.9670 -1.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7989 2.1399 -0.9109 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0183 1.3842 1.6518 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9799 2.3462 0.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5235 -0.3181 1.4962 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2603 0.7810 0.9564 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 4 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 9 2 1 0 11 6 1 0 1 13 1 0 2 14 1 0 3 15 1 0 3 16 1 0 4 17 1 0 5 18 1 0 7 19 1 0 8 20 1 0 9 21 1 0 10 22 1 0 10 23 1 0 11 24 1 0 12 25 1 0 M END