HMDB0304863 RDKit 3D Pemigatinib 62 66 0 0 0 0 0 0 0 0999 V2000 0.2620 -2.2451 2.3913 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2751 -0.7557 2.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3191 -0.3622 0.9090 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7181 -0.0553 0.9182 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3658 -0.1693 1.9989 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4471 0.3742 -0.2134 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8729 0.5564 -0.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6316 -0.5673 0.0653 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0397 -1.7948 0.2501 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.9910 -0.4117 0.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7610 -1.5427 0.3401 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1543 -1.4352 0.3898 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6038 0.8199 -0.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7984 1.9303 -0.3109 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3667 3.1801 -0.4991 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7516 3.4175 -0.4723 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4291 1.7927 -0.3546 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 2.8689 -0.5789 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7940 0.6325 -1.4546 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3709 0.2320 -1.4689 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3001 0.3326 -2.6958 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5856 0.0254 -2.8260 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2571 -0.3952 -1.7441 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5568 -0.7876 -1.5885 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7729 -1.1404 -0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0452 -1.6321 0.2499 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0969 -0.6781 0.2795 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8696 0.5264 0.9998 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2479 1.1208 1.3278 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8871 1.3555 0.1318 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1610 0.1699 -0.5521 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8849 -0.5683 -0.9028 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5729 -0.9793 0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6540 -0.5215 -0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3187 -0.2001 -0.3549 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1334 -2.5032 3.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6372 -2.5993 2.9314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4511 -2.8287 1.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2339 -0.3460 2.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 -0.3918 2.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6092 -2.3951 0.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5062 -1.0987 -0.5912 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4263 -0.6819 1.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6756 0.8764 -0.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2859 2.7956 0.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9860 4.4845 -0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1665 3.1448 -1.4825 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8100 1.7129 -1.7363 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3300 0.0567 -2.2562 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3128 0.6839 -3.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2372 -0.7888 -2.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4069 -2.4907 -0.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8687 -2.1221 1.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3391 0.3145 1.9344 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3659 1.3113 0.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7996 0.4375 1.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0513 2.1089 1.8047 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6823 0.4483 -1.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8261 -0.4192 0.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1760 -1.5772 -1.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4097 -0.0012 -1.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5522 -1.2247 1.3948 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 2 0 4 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 10 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 14 17 2 0 17 18 1 0 6 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 25 33 2 0 33 34 1 0 34 35 2 0 35 3 1 0 17 7 1 0 35 20 1 0 34 23 1 0 32 27 1 0 1 36 1 0 1 37 1 0 1 38 1 0 2 39 1 0 2 40 1 0 12 41 1 0 12 42 1 0 12 43 1 0 13 44 1 0 16 45 1 0 16 46 1 0 16 47 1 0 19 48 1 0 19 49 1 0 21 50 1 0 24 51 1 0 26 52 1 0 26 53 1 0 28 54 1 0 28 55 1 0 29 56 1 0 29 57 1 0 31 58 1 0 31 59 1 0 32 60 1 0 32 61 1 0 33 62 1 0 M END