HMDB0000907 RDKit 3D Sulfolithocholic acid 71 74 0 0 0 0 0 0 0 0999 V2000 -4.2760 -1.0494 -2.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3465 -0.9207 -0.5905 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.7204 -0.5813 -0.1416 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3603 0.6484 -0.6417 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7360 1.9299 -0.3795 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0551 2.5040 -1.2575 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8768 2.5503 0.8452 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2338 -0.1189 -0.0633 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3154 0.0259 1.4769 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9292 0.4930 1.8686 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0985 0.3603 0.6430 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2973 -0.0952 0.8626 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0409 0.6780 1.8981 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2686 1.3749 1.4758 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0351 0.7930 0.3585 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4851 0.4348 0.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2540 0.2851 -0.5424 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5225 1.4537 -1.2162 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1216 1.7806 -1.4639 S 0 0 0 0 0 6 0 0 0 0 0 0 7.9280 0.6945 -0.7956 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3817 1.6234 -2.9542 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6080 3.2998 -1.0377 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6196 -0.6786 -1.5117 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1397 -0.5869 -1.6267 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4035 -0.4031 -0.3213 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5613 -1.6627 0.4875 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9614 -0.0809 -0.5094 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2475 -1.0492 -1.4139 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2385 -0.7972 -1.4608 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8560 -0.7650 -0.1048 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7405 -2.0143 0.6923 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9679 -2.0579 -2.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3126 -0.9353 -2.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6022 -0.3175 -2.5726 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2170 -2.0230 -0.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8062 -0.5571 0.9867 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4237 -1.4322 -0.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6831 0.5516 -1.7351 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3821 0.6914 -0.1327 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1335 3.0476 1.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1134 0.8774 -0.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4267 -1.0101 1.8859 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1057 0.6988 1.7915 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5406 -0.0359 2.7546 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0175 1.5729 2.1849 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1889 1.2911 0.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2548 -1.1639 1.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2376 0.0580 2.8235 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3030 1.4462 2.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0388 2.4705 1.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9697 1.4185 2.3651 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1285 1.5653 -0.4493 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8831 1.1562 1.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4158 -0.5381 1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2656 -0.1627 -0.2986 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1089 3.6535 -0.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1329 -0.6490 -2.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8681 -1.7147 -1.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9035 0.2132 -2.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7872 -1.5370 -2.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6998 -2.3676 0.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4609 -2.2573 0.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6187 -1.4493 1.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7978 0.9300 -0.9229 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6145 -0.8809 -2.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4168 -2.1051 -1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4029 0.2083 -1.9173 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6713 -1.6317 -2.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8562 -2.5977 0.2998 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5714 -1.8360 1.7902 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5757 -2.7168 0.6433 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 2 0 5 7 1 0 2 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 2 0 19 21 2 0 19 22 1 0 17 23 1 0 23 24 1 0 24 25 1 0 25 26 1 1 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 1 30 8 1 0 30 11 1 0 27 12 1 0 25 15 1 0 1 32 1 0 1 33 1 0 1 34 1 0 2 35 1 1 3 36 1 0 3 37 1 0 4 38 1 0 4 39 1 0 7 40 1 0 8 41 1 6 9 42 1 0 9 43 1 0 10 44 1 0 10 45 1 0 11 46 1 6 12 47 1 1 13 48 1 0 13 49 1 0 14 50 1 0 14 51 1 0 15 52 1 0 16 53 1 0 16 54 1 0 17 55 1 1 22 56 1 0 23 57 1 0 23 58 1 0 24 59 1 0 24 60 1 0 26 61 1 0 26 62 1 0 26 63 1 0 27 64 1 6 28 65 1 0 28 66 1 0 29 67 1 0 29 68 1 0 31 69 1 0 31 70 1 0 31 71 1 0 M END