HMDB0304858 RDKit 3D Selumetinib 42 44 0 0 0 0 0 0 0 0999 V2000 -1.6414 -4.6428 1.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4780 -3.4709 1.0357 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7330 -3.2919 1.4674 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1446 -2.0299 1.2389 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1336 -1.3626 0.6415 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9430 -0.0796 0.1729 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9875 0.7804 0.3135 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7784 0.3525 -0.4117 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6284 1.6686 -0.8749 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1382 2.7361 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7795 2.4845 1.2137 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2916 3.4650 2.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1538 4.7484 1.5729 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5249 6.1405 2.7175 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.5038 5.0239 0.2778 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9967 4.0221 -0.5601 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4275 4.4168 -2.1940 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 -0.5572 -0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5330 -0.1854 -1.1428 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6628 1.1202 -1.5947 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4422 -1.0662 -1.2245 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6761 -0.9315 -1.7445 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8831 -1.0897 -1.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0126 -0.8471 -2.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2611 -0.9788 -1.4031 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9255 -1.8417 -0.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0943 -2.2759 0.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9188 -4.6226 1.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0454 -4.7537 0.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3233 -5.5212 1.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3083 -4.0862 1.9349 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8931 1.9026 -1.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8705 1.4832 1.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0079 3.2787 3.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3989 6.0323 -0.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6024 1.5156 -1.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9689 -2.0896 -0.5482 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9968 -0.3476 -0.2168 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8665 0.1799 -2.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8710 -1.5559 -2.8461 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0884 -1.1777 -0.4412 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1056 -2.5455 -0.1691 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 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 16 17 1 0 8 18 2 0 18 19 1 0 19 20 1 0 19 21 2 3 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 18 26 1 0 26 27 2 0 27 2 1 0 27 5 1 0 16 10 1 0 1 28 1 0 1 29 1 0 1 30 1 0 3 31 1 0 9 32 1 0 11 33 1 0 12 34 1 0 15 35 1 0 20 36 1 0 23 37 1 0 23 38 1 0 24 39 1 0 24 40 1 0 25 41 1 0 26 42 1 0 M END