HMDB0255727 RDKit 3D Norcholic acid 66 69 0 0 0 0 0 0 0 0999 V2000 4.2713 -2.0208 0.7288 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9985 -0.5492 0.4503 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5373 0.0546 1.7335 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4916 1.4679 1.9235 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5403 2.0563 2.4915 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5458 2.2810 1.4672 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6075 -0.1840 0.2378 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5088 1.2934 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9321 1.3171 -1.5262 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9215 0.2213 -1.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2937 0.5928 -0.6355 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9135 1.7831 -1.2651 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8047 2.8994 -0.4066 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4116 1.6177 -1.5201 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9950 1.0584 -0.2661 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4768 1.1530 -0.1618 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8521 0.7472 1.2472 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2385 0.7017 1.3756 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2826 -0.5542 1.6602 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8909 -0.8450 1.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5626 -0.3939 -0.1621 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4995 -1.1818 -1.0876 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1721 -0.6330 -0.5716 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4004 -1.5601 0.3705 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9015 -1.9823 -0.2792 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4607 -2.9005 0.5618 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7738 -0.8836 -0.7566 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5864 -1.4373 -1.9378 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0982 -2.6976 -0.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3931 -2.0545 0.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8515 -2.2850 1.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6472 -0.2351 -0.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5916 -0.3558 1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9746 -0.4976 2.5537 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4025 3.1935 1.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0691 -0.2914 1.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4687 1.7997 -0.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7481 1.8322 0.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5347 2.3106 -1.6932 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7274 0.9820 -2.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6346 -0.0848 -2.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0131 0.8319 0.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4692 2.0901 -2.2176 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6167 3.4647 -0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7879 2.6359 -1.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5165 0.9583 -2.3955 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5670 1.6583 0.5882 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7732 2.2317 -0.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0300 0.6133 -0.9337 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4963 1.5529 1.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5888 1.5872 1.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3020 -0.5863 2.7906 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0111 -1.3581 1.3654 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7840 -1.9703 1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1930 -0.4001 1.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7603 -0.6180 -1.9822 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3880 -1.5397 -0.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9278 -2.0848 -1.4266 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1146 -1.1226 -1.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1551 -0.9696 1.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9461 -2.4891 0.5864 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5764 -2.5595 -1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1212 -2.8709 1.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1380 -1.1815 -2.9211 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6101 -1.0422 -1.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5702 -2.5673 -1.9263 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 2 0 4 6 1 0 2 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 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 27 7 1 0 27 10 1 0 23 11 1 0 21 15 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 0 3 33 1 0 3 34 1 0 6 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 9 39 1 0 9 40 1 0 10 41 1 0 11 42 1 0 12 43 1 0 13 44 1 0 14 45 1 0 14 46 1 0 15 47 1 0 16 48 1 0 16 49 1 0 17 50 1 0 18 51 1 0 19 52 1 0 19 53 1 0 20 54 1 0 20 55 1 0 22 56 1 0 22 57 1 0 22 58 1 0 23 59 1 0 24 60 1 0 24 61 1 0 25 62 1 0 26 63 1 0 28 64 1 0 28 65 1 0 28 66 1 0 M END