HMDB0038593 RDKit 3D Calystegin A3 24 25 0 0 0 0 0 0 0 0999 V2000 2.9114 -0.3797 0.2921 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5612 -0.3500 0.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7962 -1.3597 -0.3419 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6369 -1.3738 0.1323 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5898 -0.8268 -0.9228 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2886 0.6455 -0.8609 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5580 0.8538 0.4445 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0032 1.9757 1.1352 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8378 -0.3745 1.1943 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9345 1.0042 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1606 1.3591 -1.1598 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3330 0.0199 1.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3005 -0.5669 1.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3059 -2.3196 -0.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8651 -1.0404 -1.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9004 -2.3791 0.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4588 -1.2800 -1.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6157 -0.9593 -0.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6986 0.9248 -1.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2240 1.2467 -0.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5840 1.6512 1.8596 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8314 -0.3762 1.4384 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3524 1.7397 0.8719 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7062 2.1655 -1.2477 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 7 9 1 0 7 10 1 0 10 11 1 0 10 2 1 0 9 4 1 0 1 12 1 0 2 13 1 0 3 14 1 0 3 15 1 0 4 16 1 0 5 17 1 0 5 18 1 0 6 19 1 0 6 20 1 0 8 21 1 0 9 22 1 0 10 23 1 0 11 24 1 0 M END