HMDB0061015 RDKit 3D ortho-hydroxyatorvastatin 77 80 0 0 0 0 0 0 0 0999 V2000 1.2758 -2.9623 0.5145 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1119 -2.4749 0.2245 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3952 -2.9493 -1.2174 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3459 -1.0515 0.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6768 -0.5549 0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8779 -1.3335 0.1567 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9441 -2.7103 0.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0039 -0.7086 0.1403 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2373 -1.3671 0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0374 -1.5728 1.1161 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2333 -2.2157 0.9744 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6020 -2.6449 -0.2976 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8146 -2.4446 -1.3897 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6098 -1.7955 -1.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7557 -1.5589 -2.3248 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5766 0.8096 0.3961 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7666 1.6913 0.3911 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6006 1.7696 1.4838 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6952 2.5982 1.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9851 3.3543 0.2968 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1608 3.2844 -0.7987 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0532 2.4410 -0.7245 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2501 1.1435 0.4966 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2786 2.4899 0.6267 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2493 3.3775 -0.4222 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7556 4.6703 -0.2793 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2946 5.0826 0.9173 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7740 6.3473 1.0175 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3313 4.2030 1.9795 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8263 2.9308 1.8167 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4796 -0.0263 0.4519 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9053 0.0260 0.5211 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5663 0.1508 -0.8075 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0572 0.2020 -0.6419 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4491 1.2873 0.1699 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5696 -1.0985 -0.1143 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0862 -1.0800 0.0492 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4470 -0.0757 0.9335 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8079 -1.0251 -1.2621 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2716 -1.0149 -0.9572 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7748 -0.1394 -0.2120 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1131 -1.9958 -1.5049 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6063 -2.7903 1.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0530 -2.5847 -0.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2907 -4.1085 0.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8559 -3.0722 0.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5903 -2.9748 -1.7496 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9459 -2.1250 -1.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8719 -3.9249 -1.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4663 -3.2932 0.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7428 -1.2396 2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8995 -2.4024 1.8014 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5466 -3.1611 -0.4597 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0871 -2.7736 -2.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0659 -1.8865 -3.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3644 1.1791 2.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3821 2.7003 2.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8428 3.9944 0.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3686 3.8634 -1.6882 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4236 2.4018 -1.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1625 3.0949 -1.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7183 5.3381 -1.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7589 4.5485 2.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8472 2.2300 2.6291 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4077 -0.7262 1.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2257 1.0014 1.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2856 1.0868 -1.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3495 -0.6730 -1.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5176 0.3550 -1.6661 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4146 2.0902 -0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3338 -1.9082 -0.8527 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1787 -1.4053 0.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3271 -2.0474 0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 0.7196 0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5264 -1.9147 -1.8539 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6146 -0.0773 -1.8167 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7005 -2.5737 -0.8991 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 6 8 2 3 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 5 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 16 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 27 29 1 0 29 30 2 0 23 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 31 4 1 0 14 9 1 0 22 17 1 0 30 24 1 0 1 43 1 0 1 44 1 0 1 45 1 0 2 46 1 0 3 47 1 0 3 48 1 0 3 49 1 0 7 50 1 0 10 51 1 0 11 52 1 0 12 53 1 0 13 54 1 0 15 55 1 0 18 56 1 0 19 57 1 0 20 58 1 0 21 59 1 0 22 60 1 0 25 61 1 0 26 62 1 0 29 63 1 0 30 64 1 0 32 65 1 0 32 66 1 0 33 67 1 0 33 68 1 0 34 69 1 0 35 70 1 0 36 71 1 0 36 72 1 0 37 73 1 0 38 74 1 0 39 75 1 0 39 76 1 0 42 77 1 0 M END