HMDB0041870 RDKit 3D Desethylchloroquine 42 43 0 0 0 0 0 0 0 0999 V2000 5.3815 -1.7264 0.1493 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3811 -0.5554 -0.0553 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9076 -0.0860 1.1837 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1776 1.0843 1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7858 1.2587 0.8645 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5439 1.0829 -0.5928 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0788 1.3569 -0.9652 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2155 2.7856 -0.5677 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8223 0.4233 -0.3415 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1608 0.2933 -0.7623 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6138 0.9561 -1.9133 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8983 0.8229 -2.3815 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7123 0.0194 -1.6822 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3379 -0.6414 -0.5729 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2051 -1.4570 0.1222 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8680 -2.1508 1.2656 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0062 -3.1865 2.1263 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.5861 -2.0291 1.7519 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6883 -1.2190 1.0777 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0317 -0.5195 -0.0747 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0041 -2.4711 0.8512 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5885 -2.1596 -0.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3401 -1.2882 0.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5773 -1.0607 -0.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8927 0.1801 -0.6805 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6069 -0.8597 1.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1406 1.3005 2.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7968 1.9771 0.9464 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1178 0.5996 1.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4302 2.3256 1.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1537 1.7565 -1.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7334 0.0231 -0.8614 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0017 1.2674 -2.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4827 2.8729 0.5035 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9635 3.2525 -1.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7393 3.3581 -0.7202 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4509 -0.1483 0.4248 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9592 1.5873 -2.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2143 1.3511 -3.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2171 -1.5475 -0.2767 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2627 -2.5525 2.6437 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6827 -1.1296 1.4710 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 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 2 0 18 19 1 0 19 20 2 0 20 10 1 0 20 14 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 6 31 1 0 6 32 1 0 7 33 1 0 8 34 1 0 8 35 1 0 8 36 1 0 9 37 1 0 11 38 1 0 12 39 1 0 15 40 1 0 18 41 1 0 19 42 1 0 M END