HMDB0000944 RDKit 3D Behenic acid 68 67 0 0 0 0 0 0 0 0999 V2000 8.9058 -1.7841 -1.0552 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1831 -0.7374 -1.8536 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7963 -0.4510 -1.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7761 0.0525 0.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2564 0.2671 0.3926 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1985 0.7672 1.7741 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8979 1.0194 2.4239 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0172 2.0353 1.8716 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4461 1.9532 0.5189 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6359 0.7050 0.2365 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4703 0.5734 1.1708 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 -0.6169 0.9734 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0716 -0.7384 -0.3464 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0003 0.4166 -0.6427 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0739 0.5841 0.3682 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0055 -0.5449 0.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8286 -0.9411 -0.6399 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6957 0.2057 -1.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6543 0.6828 -0.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7172 -0.2351 0.3783 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7329 -0.6707 -0.6151 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3288 -1.4215 -1.7787 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5847 -2.4028 -1.7322 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7998 -1.0243 -3.0479 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2357 -2.4259 -0.4419 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4891 -2.4851 -1.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6701 -1.2786 -0.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0947 -1.0840 -2.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7418 0.2279 -1.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3628 0.3388 -1.9846 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1390 -1.3521 -1.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1008 -0.6794 0.8283 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2420 1.0482 0.1767 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7581 -0.6938 0.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9465 0.9768 -0.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8296 0.0621 2.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8516 1.7135 1.7915 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1326 1.3591 3.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3553 0.0369 2.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2244 2.2837 2.6509 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6209 3.0195 1.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1512 2.1350 -0.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7189 2.8497 0.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3010 0.7466 -0.8051 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3523 -0.1404 0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1853 1.4689 1.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8856 0.5185 2.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2857 -1.5255 1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0741 -0.6991 1.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3109 -0.7392 -1.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6258 -1.6685 -0.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4907 0.1669 -1.6181 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4822 1.3661 -0.7971 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7006 0.9321 1.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6995 1.4588 0.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5194 -1.4642 0.9375 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7327 -0.2442 1.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1798 -1.2342 -1.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4518 -1.7741 -0.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2088 -0.1113 -2.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0732 1.0867 -1.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2066 1.5594 -0.5787 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1162 1.1930 0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2987 0.3431 1.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3120 -1.1110 0.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4863 -1.2899 -0.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3706 0.2342 -0.8812 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6674 -0.0480 -3.2886 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 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 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 4 33 1 0 5 34 1 0 5 35 1 0 6 36 1 0 6 37 1 0 7 38 1 0 7 39 1 0 8 40 1 0 8 41 1 0 9 42 1 0 9 43 1 0 10 44 1 0 10 45 1 0 11 46 1 0 11 47 1 0 12 48 1 0 12 49 1 0 13 50 1 0 13 51 1 0 14 52 1 0 14 53 1 0 15 54 1 0 15 55 1 0 16 56 1 0 16 57 1 0 17 58 1 0 17 59 1 0 18 60 1 0 18 61 1 0 19 62 1 0 19 63 1 0 20 64 1 0 20 65 1 0 21 66 1 0 21 67 1 0 24 68 1 0 M END