HMDB0000672 RDKit 3D Hexadecanedioic acid 50 49 0 0 0 0 0 0 0 0999 V2000 7.2092 -0.0386 1.4271 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1956 -0.5604 1.8989 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2507 -1.4976 2.8972 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8453 -0.1479 1.3529 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0857 0.8552 0.3104 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9939 1.5022 -0.4138 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1378 0.7021 -1.2826 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3509 -0.3846 -0.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4325 -0.0095 0.4303 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4031 1.0134 0.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4435 0.5116 -1.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1375 -0.7590 -0.7114 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0019 -0.5532 0.4895 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0124 0.5171 0.2382 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8905 0.1657 -0.9278 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5974 -1.1185 -0.6637 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4665 -1.1516 0.5447 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5793 -0.1810 0.5385 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7274 0.5563 -0.4630 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4703 -0.0458 1.5895 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7112 -2.3978 2.7365 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3168 -1.0598 1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3021 0.3642 2.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8810 0.4518 -0.4114 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6819 1.6935 0.8095 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3982 2.3814 -1.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3564 2.1210 0.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8280 0.1868 -2.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5162 1.3480 -1.9838 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6689 -0.8047 -1.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9550 -1.2558 -0.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9362 -0.9291 0.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0058 0.3562 1.3314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9013 1.9885 -0.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2086 1.3103 0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1545 0.3572 -2.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1933 1.2972 -1.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 -1.5810 -0.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7563 -1.1219 -1.5891 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3532 -0.2395 1.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4798 -1.5215 0.7944 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5152 1.5096 0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6615 0.6734 1.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5957 1.0049 -1.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2988 0.0398 -1.8625 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2419 -1.3151 -1.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8483 -1.9320 -0.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9242 -2.1680 0.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8966 -1.0025 1.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8357 0.8692 1.7900 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 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 17 18 1 0 18 19 2 0 18 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 7 28 1 0 7 29 1 0 8 30 1 0 8 31 1 0 9 32 1 0 9 33 1 0 10 34 1 0 10 35 1 0 11 36 1 0 11 37 1 0 12 38 1 0 12 39 1 0 13 40 1 0 13 41 1 0 14 42 1 0 14 43 1 0 15 44 1 0 15 45 1 0 16 46 1 0 16 47 1 0 17 48 1 0 17 49 1 0 20 50 1 0 M END