HMDB0259400 RDKit 3D Ulixertinib 51 53 0 0 0 0 0 0 0 0999 V2000 7.6365 -0.6199 0.1919 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2681 0.5827 -0.6739 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1441 1.7286 -0.2207 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9081 0.9023 -0.4082 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8211 -0.0040 -0.6246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5090 0.3184 -0.3629 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4650 -0.5602 -0.5736 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0824 -0.1950 -0.2885 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4304 0.9776 -0.6083 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8449 0.9564 -0.1826 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0380 -0.2291 0.4186 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2994 -0.6372 1.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4022 -1.7846 1.5698 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4433 0.2004 1.0083 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7089 -0.1721 1.5903 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1679 0.8115 2.6167 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3171 2.0492 2.0006 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7153 -0.2860 0.5042 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4343 -0.9673 -0.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3096 -1.1035 -1.7057 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5567 -0.5509 -1.6146 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8878 0.1331 -0.4705 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4813 0.8442 -0.3438 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.9744 0.2657 0.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1319 -0.9565 0.3673 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8089 -1.8086 -1.0718 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5545 -2.9907 -1.3716 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.1229 -2.1188 -1.3291 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1249 -1.2204 -1.1065 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2259 -1.3628 -0.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7280 -1.0850 0.6471 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2763 -0.3249 1.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4954 0.4017 -1.7387 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8554 2.6924 -0.7023 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2131 1.5546 -0.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0016 1.8823 0.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6545 1.8408 -0.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3068 1.2953 0.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8758 1.8107 -1.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5696 1.7263 -0.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3557 1.1329 0.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6057 -1.2086 2.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4480 0.8837 3.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1165 0.4844 3.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6328 2.6557 2.3619 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4549 -1.4080 -0.7624 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0308 -1.6506 -2.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2586 -0.6585 -2.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2907 0.8155 1.4558 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3181 -1.9501 0.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3857 -3.0934 -1.7173 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 15 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 22 24 2 0 11 25 2 0 7 26 2 0 26 27 1 0 26 28 1 0 28 29 2 0 29 5 1 0 25 8 1 0 24 18 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 0 3 34 1 0 3 35 1 0 3 36 1 0 4 37 1 0 6 38 1 0 9 39 1 0 10 40 1 0 14 41 1 0 15 42 1 0 16 43 1 0 16 44 1 0 17 45 1 0 19 46 1 0 20 47 1 0 21 48 1 0 24 49 1 0 25 50 1 0 28 51 1 0 M END