REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = 1-[2-(3-ACETYL-2-HYDROXY-6-METHOXY-PHENYL)-CYCLOPROPYL]-3-(5-CYANO-PYRIDIN-2-YL)-THIOUREA RESIDUE MSD 13 48 1 48 1 CHI1 0 0 0.0000 2 1 6 7 7 2 PHI1 0 0 0.0000 3 11 12 14 0 3 PHI2 0 0 0.0000 11 12 14 16 0 4 PHI3 0 0 0.0000 12 14 16 18 0 5 PHI4 0 0 0.0000 14 16 18 24 0 6 CHI2 0 0 0.0000 16 18 19 20 22 7 PHI5 0 0 0.0000 16 18 24 26 0 8 PHI6 0 0 0.0000 18 24 26 42 0 9 CHI3 0 0 0.0000 27 28 33 34 39 10 CHI4 0 0 0.0000 28 33 35 36 39 11 CHI5 0 0 0.0000 26 27 40 41 41 12 PHI7 0 0 0.0000 26 42 43 44 0 13 PHI8 0 0 0.0000 42 43 44 47 0 1 C2 C_ARO 0 0.0000 0.3720 0.3880 -5.7830 2 6 8 0 0 2 C7 C_ARO 0 0.0000 1.3460 1.1120 -5.0790 1 3 5 0 0 3 C6 C_ARO 0 0.0000 1.2240 1.2210 -3.7200 2 4 11 0 0 4 HC6 H_ALI 0 0.0000 1.9570 1.7720 -3.1490 3 0 0 0 0 5 HC7 H_ALI 0 0.0000 2.1740 1.5740 -5.5980 2 0 0 0 0 6 C42 C_XXX 0 0.0000 0.4580 0.2470 -7.2050 1 7 0 0 0 7 N43 N_AMO 0 0.0000 0.5260 0.1350 -8.3340 6 0 0 0 0 8 C3 C_ARO 0 0.0000 -0.6810 -0.1930 -5.0760 1 9 10 0 0 9 HC3 H_ALI 0 0.0000 -1.4370 -0.7520 -5.6060 8 0 0 0 0 10 N4 N_AMI 0 0.0000 -0.7570 -0.0680 -3.7670 8 11 0 0 0 11 C5 C_ARO 0 0.0000 0.1460 0.6150 -3.0800 3 10 12 0 0 12 N8 N_AMI 0 0.0000 0.0180 0.7240 -1.7000 11 13 14 0 0 13 HN8 H_AMI 0 0.0000 0.6140 1.3050 -1.2030 12 0 0 0 0 14 C9 C_BYL 0 0.0000 -0.9320 0.0210 -1.0540 12 15 16 0 0 15 S10 S_OXY 0 0.0000 -1.8930 -1.1060 -1.9100 14 0 0 0 0 16 N11 N_AMI 0 0.0000 -1.1260 0.2070 0.2660 14 17 18 0 0 17 H11N H_AMI 0 0.0000 -0.5820 0.8460 0.7510 16 0 0 0 0 18 C12 C_ALI 0 0.0000 -2.1600 -0.5560 0.9690 16 19 23 24 0 19 C13 C_ALI 0 0.0000 -2.9690 0.1730 2.0440 18 20 21 24 0 20 H131 H_ALI 0 0.0000 -4.0200 -0.0970 2.1540 19 0 0 0 22 21 H132 H_ALI 0 0.0000 -2.7320 1.2200 2.2290 19 0 0 0 22 22 Q1 PSEUD 0 0.0000 -3.3760 0.5615 2.1915 0 0 0 0 0 23 H12C H_ALI 0 0.0000 -2.6790 -1.3060 0.3710 18 0 0 0 0 24 C14 C_ALI 0 0.0000 -1.9250 -0.8690 2.4480 18 19 25 26 0 25 H14C H_ALI 0 0.0000 -2.2880 -1.8260 2.8230 24 0 0 0 0 26 C15 C_ARO 0 0.0000 -0.6470 -0.3700 3.0710 24 27 42 0 0 27 C21 C_ARO 0 0.0000 0.5720 -0.6860 2.4970 26 28 40 0 0 28 C20 C_ARO 0 0.0000 1.7590 -0.2150 3.0860 27 29 33 0 0 29 C19 C_ARO 0 0.0000 1.6940 0.5720 4.2440 28 30 32 0 0 30 C18 C_ARO 0 0.0000 0.4840 0.8800 4.7940 29 31 42 0 0 31 H18C H_ALI 0 0.0000 0.4390 1.4880 5.6860 30 0 0 0 0 32 H19C H_ALI 0 0.0000 2.6030 0.9370 4.7000 29 0 0 0 0 33 C23 C_BYL 0 0.0000 3.0570 -0.5470 2.4930 28 34 35 0 0 34 O24 O_BYL 0 0.0000 3.1090 -1.2290 1.4920 33 0 0 0 0 35 C25 C_ALI 0 0.0000 4.3270 -0.0410 3.1280 33 36 37 38 0 36 H251 H_ALI 0 0.0000 5.1840 -0.3870 2.5510 35 0 0 0 39 37 H252 H_ALI 0 0.0000 4.3150 1.0480 3.1440 35 0 0 0 39 38 H253 H_ALI 0 0.0000 4.3990 -0.4190 4.1480 35 0 0 0 39 39 Q2 PSEUD 0 0.0000 4.6327 0.0807 3.2810 0 0 0 0 0 40 O22 O_HYD 0 0.0000 0.6220 -1.4490 1.3780 27 41 0 0 0 41 H22O H_OXY 0 0.0000 0.7420 -2.3640 1.6680 40 0 0 0 0 42 C16 C_ARO 0 0.0000 -0.6920 0.4150 4.2130 26 30 43 0 0 43 O41 O_EST 0 0.0000 -1.8890 0.7270 4.7710 42 44 0 0 0 44 C44 C_ALI 0 0.0000 -1.6120 1.5300 5.9200 43 45 46 47 0 45 H441 H_ALI 0 0.0000 -2.5490 1.8070 6.4040 44 0 0 0 48 46 H442 H_ALI 0 0.0000 -0.9960 0.9630 6.6190 44 0 0 0 48 47 H443 H_ALI 0 0.0000 -1.0800 2.4310 5.6150 44 0 0 0 48 48 Q3 PSEUD 0 0.0000 -1.5417 1.7337 6.2127 0 0 0 0 0