HMDB0041991 RDKit 3D Pitavastatin 55 58 0 0 0 0 0 0 0 0999 V2000 4.8148 2.4826 -0.7287 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4592 1.4306 -0.5325 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4206 1.4264 0.4657 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2788 0.1704 -1.2898 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2505 0.2442 -2.3645 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6309 1.2390 -3.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8483 0.4662 -1.9119 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3496 -0.6112 -1.0112 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4307 -1.8107 -1.7321 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8784 -0.3920 -0.6777 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2685 -1.0750 0.2251 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1016 -0.9776 0.6468 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6692 -2.0139 1.4036 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8962 -3.2251 1.6971 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5511 -4.3796 2.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7404 -3.4768 3.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9176 -1.9605 1.8786 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7037 -0.8958 1.6516 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0031 -0.8393 2.1469 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7971 0.2625 1.9063 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3447 1.3512 1.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0541 1.2691 0.6918 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2529 0.1765 0.9239 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9252 0.0924 0.4335 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 1.2858 -0.2807 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7150 2.2376 0.2945 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3630 3.4024 -0.3659 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8430 3.6246 -1.6591 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5363 4.7384 -2.3575 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.6539 2.6802 -2.2433 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9892 1.5242 -1.5575 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8553 0.5836 0.8282 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0512 -0.6556 -0.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2522 -0.0480 -1.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3275 -0.7088 -2.9431 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9035 1.8794 -3.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8105 1.4605 -1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2181 0.5750 -2.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9435 -0.6978 -0.1181 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7230 -2.4194 -1.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3905 0.3380 -1.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9538 -1.8073 0.7299 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0002 -3.3988 1.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1387 -5.3805 2.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6659 -4.3613 2.3495 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2155 -3.8196 3.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3152 -2.8388 3.9122 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3608 -1.6727 2.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8208 0.3025 2.2968 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9938 2.1922 1.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6672 2.0897 0.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3035 2.1344 1.3058 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2679 4.1678 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0556 2.8126 -3.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6387 0.8262 -2.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 13 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 28 30 1 0 30 31 2 0 24 12 1 0 31 25 1 0 16 14 1 0 23 18 1 0 3 32 1 0 4 33 1 0 4 34 1 0 5 35 1 6 6 36 1 0 7 37 1 0 7 38 1 0 8 39 1 1 9 40 1 0 10 41 1 0 11 42 1 0 14 43 1 0 15 44 1 0 15 45 1 0 16 46 1 0 16 47 1 0 19 48 1 0 20 49 1 0 21 50 1 0 22 51 1 0 26 52 1 0 27 53 1 0 30 54 1 0 31 55 1 0 M END