HMDB0251903 RDKit 3D Erdafitinib 63 66 0 0 0 0 0 0 0 0999 V2000 -1.0191 -5.8680 0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6419 -4.6280 0.3080 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5117 -3.5710 0.3288 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7619 -3.7290 0.8914 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6456 -2.6787 0.9211 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9199 -2.8330 1.4944 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3623 -4.0278 2.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2575 -1.4705 0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0186 -1.2826 -0.1881 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6287 -0.0023 -0.7362 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4847 1.1528 -0.6882 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8159 2.3483 -1.2978 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6569 3.5191 -1.2901 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8684 3.9641 0.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5396 4.3492 0.6582 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8385 5.1305 0.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3501 0.0807 -1.3309 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2289 0.0064 -2.6812 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9988 0.0434 -3.2887 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1488 0.1581 -2.5313 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3873 0.1864 -3.0852 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5072 0.2847 -2.3507 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4101 0.3598 -0.9916 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6147 0.4486 -0.1403 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9285 0.5037 -0.5278 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6591 0.5633 0.6034 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8820 0.5487 1.6816 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3085 0.5952 3.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6168 0.4778 1.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1878 0.3337 -0.4313 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0609 0.2361 -1.1548 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8093 0.1963 -0.5789 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1407 -2.3412 -0.2128 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 -6.5816 0.5634 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9962 -6.2414 0.4906 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0358 -5.8479 1.9691 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0101 -4.6884 1.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1143 -3.7384 2.8487 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8811 -4.7160 1.3413 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5393 -4.5274 2.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9644 -0.6511 0.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4355 0.9802 -1.2562 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7519 1.3078 0.3841 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5352 2.0638 -2.3403 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8745 2.6225 -0.7467 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5038 3.3263 -1.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3510 3.1737 0.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6072 5.1014 1.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8015 4.6112 -0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1439 3.4080 1.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1633 5.3307 -0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7859 4.8888 0.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3703 6.0504 0.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1186 -0.0867 -3.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0795 -0.0200 -4.3853 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4984 0.3058 -2.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2751 0.5006 -1.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4077 0.7686 3.6985 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8165 -0.3246 3.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9968 1.4466 3.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7512 0.4495 1.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7033 0.2558 0.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1696 -2.2227 -0.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 5 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 10 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 27 29 1 0 23 30 2 0 30 31 1 0 31 32 2 0 9 33 2 0 33 3 1 0 32 17 1 0 31 20 1 0 29 24 2 0 1 34 1 0 1 35 1 0 1 36 1 0 4 37 1 0 7 38 1 0 7 39 1 0 7 40 1 0 8 41 1 0 11 42 1 0 11 43 1 0 12 44 1 0 12 45 1 0 13 46 1 0 14 47 1 0 15 48 1 0 15 49 1 0 15 50 1 0 16 51 1 0 16 52 1 0 16 53 1 0 18 54 1 0 19 55 1 0 22 56 1 0 25 57 1 0 28 58 1 0 28 59 1 0 28 60 1 0 29 61 1 0 32 62 1 0 33 63 1 0 M END