HMDB0061047 RDKit 3D simvastatin hydroxy acid 71 72 0 0 0 0 0 0 0 0999 V2000 -5.7109 -0.8486 -0.9867 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8141 -1.6759 -0.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4370 -1.8077 -0.7154 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5770 -2.6459 0.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5778 -2.5308 -2.0336 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7953 -0.4999 -0.9663 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4799 -0.1897 -2.1386 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5091 0.4315 0.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8929 1.6754 -0.2548 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8694 2.7584 0.1256 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3415 2.6063 1.5290 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2977 1.4426 1.7013 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1919 2.3853 2.4216 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0101 1.9925 1.9879 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0437 1.8099 2.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8214 0.7423 2.8493 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5356 -0.1448 1.7048 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5090 -1.2672 1.6515 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2391 0.5243 0.4006 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2449 0.6333 -0.6369 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5126 1.2961 -0.6607 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6737 1.0502 0.1805 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5644 1.2285 1.5464 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4568 -0.2121 -0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9954 -0.2034 -1.5520 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8374 0.9193 -1.6519 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8781 -1.4370 -1.7169 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4520 -1.5164 -3.0704 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2267 -0.6605 -3.9616 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2812 -2.5788 -3.3912 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6359 1.7439 0.5844 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.5184 -0.3825 -0.3987 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1216 -0.0504 -1.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1441 -1.4870 -1.7961 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2474 -2.7172 -0.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8103 -1.3235 0.9279 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6251 -2.8581 -0.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1227 -3.5931 0.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3617 -2.0696 1.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7017 -1.8091 -2.8709 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6185 -3.0662 -2.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4178 -3.2260 -2.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6743 1.8033 -1.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7471 2.6463 -0.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4739 3.7785 -0.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9197 3.5087 1.8264 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9715 1.6602 2.5614 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9216 1.2720 0.8243 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7305 0.5260 2.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3775 2.5785 3.4922 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1578 2.5288 3.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6266 0.5567 3.5635 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4487 -0.6624 2.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0551 -2.1917 2.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7103 -1.6248 0.6078 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4242 -1.1027 2.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5342 -0.2315 -0.0352 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6922 0.9907 -1.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4504 -0.4497 -1.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9127 1.1537 -1.7412 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4142 2.4512 -0.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4490 1.8601 -0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3865 0.8824 1.9597 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9849 -1.1394 0.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3798 -0.1334 0.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2404 -0.2487 -2.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3827 0.9336 -0.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7438 -1.3742 -0.9981 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2863 -2.3630 -1.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1902 -2.7236 -2.9559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1302 2.6761 0.2494 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 3 5 1 0 3 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 19 31 1 0 31 9 1 0 31 14 1 0 1 32 1 0 1 33 1 0 1 34 1 0 2 35 1 0 2 36 1 0 4 37 1 0 4 38 1 0 4 39 1 0 5 40 1 0 5 41 1 0 5 42 1 0 9 43 1 6 10 44 1 0 10 45 1 0 11 46 1 1 12 47 1 0 12 48 1 0 12 49 1 0 13 50 1 0 15 51 1 0 16 52 1 0 17 53 1 1 18 54 1 0 18 55 1 0 18 56 1 0 19 57 1 6 20 58 1 0 20 59 1 0 21 60 1 0 21 61 1 0 22 62 1 6 23 63 1 0 24 64 1 0 24 65 1 0 25 66 1 6 26 67 1 0 27 68 1 0 27 69 1 0 30 70 1 0 31 71 1 6 M END