HMDB0248347 RDKit 3D Amopyroquine 45 48 0 0 0 0 0 0 0 0999 V2000 2.0450 1.9226 -2.3878 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1522 1.3341 -1.5628 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1777 1.6618 -1.5703 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0852 1.0488 -0.7379 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6802 0.0544 0.1668 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8130 -0.4730 0.9046 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9863 -0.8380 0.1295 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0284 -1.7034 -0.8823 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2597 -2.0759 -1.4733 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4028 -1.5689 -1.0138 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4307 -0.6776 0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6489 -0.1075 0.4002 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6034 0.8327 1.3735 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1294 1.6486 1.9095 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.4493 1.2397 1.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2163 0.6630 1.5804 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2417 -0.3192 0.5755 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6287 -0.2883 0.2174 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5874 0.3220 -0.6234 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9566 -0.0859 -0.7818 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9709 0.0976 0.1018 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1123 -0.2328 1.4049 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5670 -0.7770 1.5765 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3272 -0.0338 0.5011 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3004 0.1029 -0.5543 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0102 1.8564 -2.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4992 2.4672 -2.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1330 1.3694 -0.6861 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8215 -0.6244 1.9266 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1189 -2.1679 -1.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2274 -2.7689 -2.3094 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6124 -0.4177 -0.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3796 1.9941 2.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2828 0.9319 1.9824 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9166 -1.0527 0.9551 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8639 -1.2898 -0.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2351 0.1122 -1.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0502 0.6733 2.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4073 -0.9733 1.8547 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9591 -0.5403 2.5946 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4934 -1.8351 1.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7699 0.9073 0.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1582 -0.7104 0.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4644 1.0467 -1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2518 -0.7251 -1.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 16 17 2 0 5 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 19 2 1 0 25 21 1 0 17 7 1 0 17 11 1 0 1 26 1 0 3 27 1 0 4 28 1 0 6 29 1 0 8 30 1 0 9 31 1 0 12 32 1 0 15 33 1 0 16 34 1 0 18 35 1 0 20 36 1 0 20 37 1 0 22 38 1 0 22 39 1 0 23 40 1 0 23 41 1 0 24 42 1 0 24 43 1 0 25 44 1 0 25 45 1 0 M END