HMDB0060941 RDKit 3D Rosuvastatin 5 S-lactone 58 60 0 0 0 0 0 0 0 0999 V2000 1.8685 -2.3326 3.0547 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7308 -1.5461 2.3786 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1586 -2.5510 1.7053 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3463 -0.6676 1.3632 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6642 -0.6467 1.1714 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2525 0.1348 0.2582 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6338 0.1814 0.0264 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4525 1.1142 0.7578 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3446 -0.8689 -1.1240 S 0 0 0 0 0 6 0 0 0 0 0 0 5.1299 -2.5764 -0.7039 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6900 -0.6312 -2.4719 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8082 -0.5957 -1.3120 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4551 0.9135 -0.4694 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0924 0.9688 -0.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 1.9152 -1.1633 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4737 1.8533 -2.5307 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1126 2.7640 -3.3825 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8392 3.7719 -2.7848 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4358 4.6941 -3.5913 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9625 3.8500 -1.4114 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3729 2.9352 -0.5693 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5085 0.1532 0.5914 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 0.0619 0.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8926 0.4115 0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3304 0.2599 0.5316 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8995 -0.8580 -0.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3878 -1.0294 -0.1088 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6346 -1.1842 1.2526 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0860 0.2099 -0.6392 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1841 1.3963 -0.5622 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4794 2.4005 -1.2473 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0502 1.4385 0.2212 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5773 -1.6359 3.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4740 -3.0776 3.7644 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4094 -2.8306 2.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2038 -0.9276 3.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3256 -3.5480 1.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1200 -2.6971 2.2549 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3453 -2.3183 0.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8781 2.0191 1.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8677 0.6040 1.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2916 1.5146 0.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9382 -2.9349 -0.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1732 -2.7504 -0.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1730 -3.2149 -1.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0513 1.0532 -3.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0294 2.7224 -4.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5477 4.6632 -0.9508 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4854 3.0198 0.5013 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2148 -0.3369 1.8509 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7420 0.7665 -0.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3943 0.0041 1.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3736 -1.8056 -0.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7227 -0.5982 -1.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7034 -1.8911 -0.7119 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4305 -2.1151 1.4929 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3215 0.0403 -1.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0177 0.3345 -0.0896 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 0 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 1 26 53 1 0 26 54 1 0 27 55 1 6 28 56 1 0 29 57 1 0 29 58 1 0 M END