HMDB0014751 RDKit 3D Amodiaquine 47 49 0 0 0 0 0 0 0 0999 V2000 -4.1760 1.1772 1.8722 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9325 0.9792 0.4026 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8062 -0.3277 -0.0734 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9678 -1.1815 -0.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0010 -0.7702 -1.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5826 -1.0179 -0.0922 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4522 -0.2657 -0.6981 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2434 -0.1799 0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8994 0.3909 -0.5165 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0603 0.3953 0.3071 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3457 0.0025 -0.1096 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5088 -0.5962 -1.3518 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7458 -1.0487 -1.7117 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7783 -0.9164 -0.8741 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6936 -0.3502 0.3311 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7826 -0.2452 1.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7090 0.3459 2.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1106 0.4223 3.4338 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4862 0.8235 2.8068 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3906 0.7020 1.9618 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4387 0.1218 0.7177 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7992 0.8905 -1.7847 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3642 0.8301 -2.5039 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5126 0.2390 -1.9552 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6862 0.2004 -2.7206 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3652 0.9105 2.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1464 0.7170 2.2049 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3401 2.2877 2.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0431 1.6041 0.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8120 1.4623 -0.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5871 -2.2032 -0.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3890 -1.2501 1.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9139 -1.3437 -2.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9639 0.2924 -1.3288 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0566 -0.9986 -0.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7135 -1.9487 -0.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2845 -1.3925 0.9297 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2246 -0.5765 0.9878 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9514 0.7024 1.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6599 -0.7112 -2.0265 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9267 -1.5319 -2.6619 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7647 -0.6115 0.8386 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3765 1.3008 3.7609 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 1.1027 2.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6795 1.3711 -2.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4597 1.2357 -3.5188 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5080 -0.1946 -2.3414 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 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 2 0 19 20 1 0 20 21 2 0 9 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 24 7 1 0 21 11 1 0 21 15 1 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 2 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 5 35 1 0 6 36 1 0 6 37 1 0 8 38 1 0 10 39 1 0 12 40 1 0 13 41 1 0 16 42 1 0 19 43 1 0 20 44 1 0 22 45 1 0 23 46 1 0 25 47 1 0 M END