HMDB0249457 RDKit 3D Butaprost 69 70 0 0 0 0 0 0 0 0999 V2000 -6.4595 -0.1528 -1.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3954 0.5209 -1.8529 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8831 1.7568 -1.2098 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2373 1.5670 0.1416 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0761 0.6426 0.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1340 1.1971 -0.8558 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3669 0.3310 1.2947 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2167 -0.6174 1.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2212 -1.7828 1.6263 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1837 -2.7796 1.4551 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 -4.1060 0.8775 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1966 -3.8590 -0.3686 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6748 -4.8054 0.6962 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5029 -3.7586 0.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4534 -3.8971 -0.6345 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9332 -2.4353 0.5258 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9421 -1.6344 1.2737 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 -1.2130 0.4595 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7081 -0.3608 -0.6815 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8889 0.0516 -1.5119 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8613 0.8343 -0.6756 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0606 1.2845 -1.5227 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9983 2.0447 -0.6739 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7622 1.4411 0.1093 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0334 3.4156 -0.7429 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8987 4.2188 0.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1773 1.2272 1.2639 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5186 2.3558 2.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0121 2.8984 0.7876 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9947 -0.9467 -1.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2866 0.5490 -0.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0981 -0.6956 -0.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8933 0.7986 -2.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5913 -0.1842 -2.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1545 2.2554 -1.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7147 2.5219 -1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4165 -0.2949 -0.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8604 2.0989 -0.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8482 1.2505 1.7024 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9361 -0.0898 2.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4201 -0.3268 0.3589 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0526 -2.0479 2.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2439 -3.0039 2.4729 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3292 -4.6482 1.5637 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5951 -4.0991 -1.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1074 -5.0310 1.7123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5793 -5.7241 0.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5406 -1.8731 -0.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5139 -0.7098 1.7035 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3396 -2.1940 2.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7403 -2.0963 0.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7742 -0.6179 1.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9086 -0.8200 -1.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2544 0.5724 -0.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -0.8683 -1.8696 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5493 0.6486 -2.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2407 0.1830 0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3765 1.7052 -0.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6320 1.9011 -2.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5471 0.3730 -1.9109 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8597 4.3542 -0.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0187 3.7326 1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4280 5.2168 0.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9867 0.2271 1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2344 1.4899 1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8088 2.0218 2.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2707 3.0212 2.5929 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9902 3.3031 0.7633 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7152 3.6620 0.3964 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 5 7 1 0 7 8 1 0 8 9 2 3 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 2 0 14 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 1 0 23 24 2 0 23 25 1 0 25 26 1 0 4 27 1 0 27 28 1 0 28 29 1 0 29 4 1 0 16 10 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 0 2 34 1 0 3 35 1 0 3 36 1 0 5 37 1 0 6 38 1 0 7 39 1 0 7 40 1 0 8 41 1 0 9 42 1 0 10 43 1 0 11 44 1 0 12 45 1 0 13 46 1 0 13 47 1 0 16 48 1 0 17 49 1 0 17 50 1 0 18 51 1 0 18 52 1 0 19 53 1 0 19 54 1 0 20 55 1 0 20 56 1 0 21 57 1 0 21 58 1 0 22 59 1 0 22 60 1 0 26 61 1 0 26 62 1 0 26 63 1 0 27 64 1 0 27 65 1 0 28 66 1 0 28 67 1 0 29 68 1 0 29 69 1 0 M END