HMDB0257313 RDKit 3D Rosuvastatin Lactone 58 60 0 0 0 0 0 0 0 0999 V2000 -1.5964 -1.8760 -2.4956 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4235 -1.2207 -1.7627 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4533 -0.6173 -2.8156 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 -0.2308 -0.7735 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2597 -0.1768 -0.6485 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8945 0.7205 0.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3119 0.7133 0.1826 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0407 1.5121 -0.7752 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1874 -0.2022 1.3598 S 0 0 0 0 0 6 0 0 0 0 0 0 -4.8820 -1.9211 1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6508 0.0653 1.2088 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6976 0.2382 2.7208 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1352 1.6086 0.7708 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8064 1.6279 0.7093 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0383 2.6408 1.4557 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4996 3.9454 1.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1621 4.9347 1.9793 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2301 4.6764 2.7875 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8927 5.6566 3.4702 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6740 3.3828 2.9353 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0294 2.3474 2.2586 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1481 0.6596 -0.1011 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2554 0.6692 0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2324 -0.1457 0.0708 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3848 -1.6061 0.0852 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9703 -2.0794 -1.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2803 -2.8021 -1.0894 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1742 -4.0171 -0.4229 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2987 -1.9637 -0.3105 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6595 -1.7074 1.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3585 -1.3408 1.9709 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3063 -1.8644 1.1837 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7922 -1.3285 -3.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2404 -2.8773 -2.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4790 -2.0015 -1.8712 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0753 -2.0386 -1.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2309 -0.2836 -3.6564 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0285 0.2716 -2.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0606 -1.4171 -3.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4040 0.8511 -1.5966 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3954 2.3014 -1.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9341 1.9897 -0.3357 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8448 -2.4328 0.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5843 -2.3416 2.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1262 -2.1455 0.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3460 4.1912 0.6625 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1747 5.9759 1.8767 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5276 3.1518 3.5773 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3605 1.3309 2.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6536 1.7647 -0.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2997 0.3254 0.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4914 -2.1713 0.4006 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1432 -1.2230 -1.9138 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2816 -2.7875 -1.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6585 -2.9679 -2.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2740 -4.0829 -0.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1986 -2.6147 -0.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6049 -1.0668 -0.8485 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 9 11 2 0 9 12 2 0 6 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 2 0 14 22 2 0 22 23 1 0 23 24 2 3 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 22 4 1 0 32 25 1 0 21 15 1 0 1 33 1 0 1 34 1 0 1 35 1 0 2 36 1 0 3 37 1 0 3 38 1 0 3 39 1 0 8 40 1 0 8 41 1 0 8 42 1 0 10 43 1 0 10 44 1 0 10 45 1 0 16 46 1 0 17 47 1 0 20 48 1 0 21 49 1 0 23 50 1 0 24 51 1 0 25 52 1 0 26 53 1 0 26 54 1 0 27 55 1 0 28 56 1 0 29 57 1 0 29 58 1 0 M END