HMDB0257241 RDKit 3D Ripisartan 54 58 0 0 0 0 0 0 0 0999 V2000 -0.9222 3.8995 -1.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2858 2.4155 -0.9422 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5047 2.3026 -0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0214 0.9626 0.1874 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0818 0.5629 -0.5738 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6854 -0.6053 -0.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8305 -0.9453 -1.3159 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3051 -1.5159 0.4931 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7240 -2.7352 0.8482 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9482 -3.1727 1.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0731 -4.2893 2.4256 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0611 -2.1962 2.0929 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2677 -1.1585 1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6017 0.0731 1.1303 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4499 0.3339 1.9892 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1528 -0.0853 1.4002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0231 0.2123 2.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2521 -0.1795 1.5844 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3793 -0.8863 0.4056 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6772 -1.3224 -0.1102 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9487 -2.6836 -0.1552 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1482 -3.1552 -0.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0879 -2.2538 -1.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8202 -0.8986 -0.9797 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6073 -0.3989 -0.5229 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3635 1.0490 -0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2495 1.9735 -0.9049 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7634 3.1842 -0.7805 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5295 3.0160 -0.2867 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2849 1.7328 -0.1203 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2137 -1.1858 -0.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0294 -0.7906 0.2217 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1234 3.9917 -1.8781 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8029 4.4676 -1.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5985 4.2607 -0.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4342 1.9211 -0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4973 2.0509 -1.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3460 2.9343 -0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2462 2.8313 0.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4692 -1.6886 -0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4233 -0.0587 -1.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4047 -1.4199 -2.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5110 -3.2381 0.4111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5967 -0.2329 2.9423 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3574 1.4045 2.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9447 0.7693 3.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1797 0.0473 2.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1682 -3.3786 0.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2808 -4.2307 -0.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0405 -2.5931 -1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5516 -0.1565 -1.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8989 3.8280 -0.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2823 -1.7452 -1.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9393 -1.0239 -0.3088 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 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 19 31 1 0 31 32 2 0 14 4 2 0 32 16 1 0 13 8 1 0 25 20 1 0 30 26 2 0 1 33 1 0 1 34 1 0 1 35 1 0 2 36 1 0 2 37 1 0 3 38 1 0 3 39 1 0 7 40 1 0 7 41 1 0 7 42 1 0 9 43 1 0 15 44 1 0 15 45 1 0 17 46 1 0 18 47 1 0 21 48 1 0 22 49 1 0 23 50 1 0 24 51 1 0 29 52 1 0 31 53 1 0 32 54 1 0 M END