HMDB0000893 RDKit 3D Suberic acid 26 25 0 0 0 0 0 0 0 0999 V2000 -5.4201 -0.9684 -0.0989 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3230 -0.3840 0.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2567 0.8616 0.6465 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0818 -1.0675 -0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9117 -0.1790 -0.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5883 -0.7910 -0.4646 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4748 0.1884 -0.1063 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8714 -0.2720 -0.4508 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7976 0.8455 -0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2175 0.5282 -0.2952 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5350 -0.5571 -0.8311 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1632 1.4732 0.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1779 1.7303 0.1129 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1202 -1.4114 -1.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9789 -1.9595 0.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8324 0.0873 1.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9839 0.7902 -0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4379 -1.8010 -0.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5754 -0.9012 -1.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2663 1.1400 -0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4569 0.3051 1.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0814 -1.1972 0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9823 -0.4878 -1.5382 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4846 1.7516 -0.5613 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6009 1.0237 1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7563 1.2518 0.8661 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 3 13 1 0 4 14 1 0 4 15 1 0 5 16 1 0 5 17 1 0 6 18 1 0 6 19 1 0 7 20 1 0 7 21 1 0 8 22 1 0 8 23 1 0 9 24 1 0 9 25 1 0 12 26 1 0 M END