HMDB0060977 RDKit 3D desethylamodiaquine 41 43 0 0 0 0 0 0 0 0999 V2000 5.6357 0.7476 1.8164 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7120 0.0269 0.9473 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3279 -0.1111 1.5019 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7031 -0.9363 0.4246 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8478 -0.0789 -0.4095 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6362 0.4426 -0.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1812 1.0864 -1.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5852 1.3518 -0.6565 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2690 0.1245 -0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6379 -1.0741 -0.4484 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2031 -2.3230 -0.1364 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4439 -2.2737 0.3138 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1467 -1.1404 0.4706 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4440 -1.1844 0.9232 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1213 -0.0113 1.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7817 -0.1217 1.6238 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.5739 1.2057 0.7484 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2781 1.2621 0.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5538 0.0928 0.1483 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2867 1.1894 -2.2906 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5020 0.6742 -2.6501 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2894 0.0390 -1.7423 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5382 -0.5130 -2.0881 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1877 1.2181 2.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1380 1.6283 1.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5186 0.1048 2.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0840 -0.8921 0.5383 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5141 0.7359 0.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3971 -0.6694 2.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2908 -1.6778 -0.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9136 -1.5260 1.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2550 0.3674 0.9659 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8974 2.2730 -0.6995 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6480 -1.1674 -0.8446 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6463 -3.2382 -0.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8413 -2.1874 1.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1765 2.1281 0.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7711 2.2024 0.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3597 1.7172 -3.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 0.7673 -3.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9156 -0.4698 -2.9940 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 2 0 6 7 1 0 7 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 14 15 1 0 15 16 1 0 15 17 2 0 17 18 1 0 18 19 2 0 7 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 5 1 0 19 9 1 0 19 13 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 6 32 1 0 8 33 1 0 10 34 1 0 11 35 1 0 14 36 1 0 17 37 1 0 18 38 1 0 20 39 1 0 21 40 1 0 23 41 1 0 M END