HMDB0005006 RDKit 3D Atorvastatin 76 79 0 0 0 0 0 0 0 0999 V2000 0.7011 0.7770 3.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5305 1.0345 2.8642 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7152 0.3422 3.5451 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5093 0.6248 1.4509 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6394 0.8590 0.6251 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8302 1.5860 1.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7381 2.3879 1.9925 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0744 1.4586 0.3954 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2014 2.2035 0.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1634 3.4481 1.3895 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3126 4.0999 1.7945 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5540 3.4901 1.6079 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6068 2.2418 1.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4632 1.5970 0.6174 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3536 0.3279 -0.5979 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2040 0.3217 -1.8125 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7359 -0.8613 -2.2846 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5254 -0.8906 -3.4344 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7777 0.2680 -4.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2582 1.4609 -3.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4768 1.4766 -2.5144 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0972 -0.2239 -0.5666 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5988 -0.9015 -1.6729 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0508 -0.2728 -2.7904 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6859 -1.0078 -3.7691 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8894 -2.3709 -3.6714 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5272 -3.0628 -4.6712 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4293 -3.0001 -2.5373 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7945 -2.2599 -1.5605 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3768 -0.0134 0.7071 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7116 -0.4794 1.0562 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7505 0.5793 0.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1463 0.1511 1.0516 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1962 -0.0729 2.4475 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5447 -1.1309 0.3808 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9562 -1.5364 0.7545 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0645 -1.7191 2.1405 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2762 -2.8652 0.1148 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1907 -2.8302 -1.3574 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1113 -2.7857 -2.0033 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3807 -2.8475 -2.0907 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5869 1.1512 3.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7165 -0.2941 3.9462 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6396 1.3508 4.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6630 2.1644 2.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2419 0.9578 4.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3309 -0.1398 2.7661 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2543 -0.5331 4.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2018 0.7887 -0.3959 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2315 3.9632 1.5396 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2130 5.0798 2.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4284 4.0419 1.9412 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5818 1.7993 0.8919 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5502 0.6141 0.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5347 -1.7683 -1.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9500 -1.8082 -3.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3936 0.3011 -5.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4695 2.3748 -4.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0895 2.4313 -2.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9054 0.7915 -2.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0652 -0.5476 -4.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5751 -4.0721 -2.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4558 -2.8292 -0.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9764 -1.3502 0.3713 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7866 -0.8762 2.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4874 1.5865 1.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7622 0.7030 -0.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8886 0.9617 0.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7546 -0.9557 2.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8743 -1.9463 0.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5143 -0.9519 -0.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7121 -0.8097 0.4492 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6585 -2.5936 2.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3179 -3.1139 0.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6091 -3.6714 0.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2322 -2.4036 -1.7328 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 2 0 6 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 5 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 15 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 28 29 2 0 22 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 39 40 2 0 39 41 1 0 30 4 1 0 14 9 1 0 21 16 1 0 29 23 1 0 1 42 1 0 1 43 1 0 1 44 1 0 2 45 1 0 3 46 1 0 3 47 1 0 3 48 1 0 8 49 1 0 10 50 1 0 11 51 1 0 12 52 1 0 13 53 1 0 14 54 1 0 17 55 1 0 18 56 1 0 19 57 1 0 20 58 1 0 21 59 1 0 24 60 1 0 25 61 1 0 28 62 1 0 29 63 1 0 31 64 1 0 31 65 1 0 32 66 1 0 32 67 1 0 33 68 1 1 34 69 1 0 35 70 1 0 35 71 1 0 36 72 1 6 37 73 1 0 38 74 1 0 38 75 1 0 41 76 1 0 M END