HMDB0014746 RDKit 3D Chloroquine 48 49 0 0 0 0 0 0 0 0999 V2000 -3.3094 -1.5712 -1.6254 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9510 -0.0947 -1.6555 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2410 0.5721 -0.4469 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6155 0.7362 -0.1037 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3680 -0.5011 0.2467 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5285 1.7532 -0.1584 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0525 1.6135 0.1325 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8018 0.7278 1.3198 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6635 0.5735 1.6814 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7518 -0.3123 2.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5469 0.3514 0.6154 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6107 -0.5639 0.4588 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7190 -1.7739 1.0746 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7777 -2.6241 0.7624 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7118 -2.3123 -0.1270 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6521 -1.1333 -0.7621 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6607 -0.8463 -1.6787 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5847 0.3687 -2.3039 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8151 0.8325 -3.4834 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5849 1.2727 -2.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5980 0.9318 -1.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6215 -0.2620 -0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8730 -2.1017 -0.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3747 -1.7747 -1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7783 -2.0031 -2.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8584 -0.0664 -1.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5070 0.3299 -2.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1639 1.3743 -0.8569 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6256 1.3883 0.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7582 -1.3657 0.5029 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0439 -0.3314 1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1127 -0.6941 -0.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9800 2.1989 0.7774 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6842 2.5339 -0.9368 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7082 2.6418 0.4504 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4697 1.3826 -0.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2452 -0.2838 1.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3033 1.2083 2.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8895 1.6559 2.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7611 -0.4682 3.2689 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2277 0.2173 3.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1975 -1.2575 2.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3723 0.9700 -0.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9803 -2.0983 1.7779 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8034 -3.5863 1.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4692 -1.5079 -1.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5177 2.2212 -2.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8367 1.6782 -0.9533 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 4 5 1 0 3 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 18 20 2 0 20 21 1 0 21 22 2 0 22 12 1 0 22 16 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 2 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 9 39 1 0 10 40 1 0 10 41 1 0 10 42 1 0 11 43 1 0 13 44 1 0 14 45 1 0 17 46 1 0 20 47 1 0 21 48 1 0 M END