HMDB0015230 RDKit 3D Rosuvastatin 61 62 0 0 0 0 0 0 0 0999 V2000 -1.7708 3.0977 -2.7579 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6661 2.1914 -2.0934 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2048 3.1664 -1.3797 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4313 1.2782 -1.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8071 1.3227 -1.2443 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5900 0.5862 -0.4562 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0141 0.6733 -0.5334 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6946 -0.2149 -1.4464 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9590 1.7717 0.3965 S 0 0 0 0 0 6 0 0 0 0 0 0 -5.7885 1.4845 2.1347 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3855 1.7624 -0.0499 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4286 3.1651 0.0897 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9688 -0.2297 0.4007 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6269 -0.3263 0.4869 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0046 -1.2410 1.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0822 -2.1424 0.9406 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5687 -3.0452 1.7298 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2816 -3.0467 3.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9302 -3.9427 3.8487 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6463 -2.1427 3.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2986 -1.2349 2.7764 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7961 0.4502 -0.3419 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6018 0.2451 -0.2356 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6054 0.4308 -1.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0093 0.1056 -0.5899 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0000 -0.1986 0.7707 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5684 -1.0488 -1.3346 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9725 -1.3279 -0.9187 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8014 -0.1962 -1.1653 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2171 -1.7128 0.4912 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7016 -1.9790 0.6956 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4756 -1.8485 -0.2809 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2183 -2.3556 1.9086 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 3.9366 -2.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3966 3.4462 -3.7229 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6872 2.5184 -2.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1325 1.7154 -2.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2152 3.1564 -1.8585 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3708 2.9220 -0.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1570 4.2074 -1.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7109 0.1716 -1.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1539 -0.3537 -2.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8901 -1.2147 -0.9605 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5653 0.4036 2.2751 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9584 2.1181 2.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7420 1.7065 2.6231 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1697 -2.1732 -0.1331 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2947 -3.7417 1.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8571 -2.1624 4.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0217 -0.5260 3.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9460 -0.1165 0.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4659 0.7795 -1.9927 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6356 0.9946 -0.7458 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6887 -1.1321 0.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5909 -0.7889 -2.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9576 -1.9896 -1.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4507 -2.1201 -1.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8338 -0.0051 -2.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0364 -0.8902 1.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6703 -2.5946 0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7568 -1.7648 2.5164 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 25 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 22 4 1 0 21 15 1 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 0 3 38 1 0 3 39 1 0 3 40 1 0 8 41 1 0 8 42 1 0 8 43 1 0 10 44 1 0 10 45 1 0 10 46 1 0 16 47 1 0 17 48 1 0 20 49 1 0 21 50 1 0 23 51 1 0 24 52 1 0 25 53 1 1 26 54 1 0 27 55 1 0 27 56 1 0 28 57 1 6 29 58 1 0 30 59 1 0 30 60 1 0 33 61 1 0 M END