REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = [1-TERT-BUTYL-3-(2,4-DICHLOROPHENYL)-5-HYDROXY-1H-PYRAZOL-4-YL][2-CHLORO-4-(METHYLSULFONYL)PHENYL]METHANONE RESIDUE A645 10 55 1 55 1 PHI1 0 0 0.0000 2 1 3 23 0 2 CHI1 0 0 0.0000 3 4 6 7 21 3 CHI2 0 0 0.0000 4 6 7 8 11 4 CHI3 0 0 0.0000 4 6 12 13 16 5 CHI4 0 0 0.0000 4 6 17 18 21 6 CHI5 0 0 0.0000 3 23 24 25 43 7 CHI6 0 0 0.0000 23 24 26 27 43 8 CHI7 0 0 0.0000 29 33 34 35 41 9 CHI8 0 0 0.0000 33 34 37 38 41 10 PHI2 0 0 0.0000 5 44 45 54 0 1 O1 O_HYD 0 0.0000 3.4360 0.7770 1.6590 2 3 0 0 0 2 HO1 H_OXY 0 0.0000 3.4720 1.6450 2.0850 1 0 0 0 0 3 C1 C_ARO 0 0.0000 2.2630 0.2100 2.0260 1 4 23 0 0 4 N2 N_AMO 0 0.0000 2.0820 -0.6510 3.0430 3 5 6 0 0 5 N1 N_AMO 0 0.0000 0.7360 -1.0190 3.1150 4 44 0 0 0 6 C12 C_ALI 0 0.0000 3.1350 -1.1280 3.9420 4 7 12 17 0 7 C13 C_ALI 0 0.0000 2.5330 -2.0890 4.9690 6 8 9 10 0 8 H131 H_ALI 0 0.0000 3.3170 -2.4440 5.6380 7 0 0 0 11 9 H132 H_ALI 0 0.0000 1.7690 -1.5700 5.5480 7 0 0 0 11 10 H133 H_ALI 0 0.0000 2.0840 -2.9370 4.4530 7 0 0 0 11 11 Q1 PSEUD 0 0.0000 2.3900 -2.3170 5.2130 0 0 0 0 22 12 C14 C_ALI 0 0.0000 3.7650 0.0620 4.6670 6 13 14 15 0 13 H141 H_ALI 0 0.0000 3.0010 0.5810 5.2450 12 0 0 0 16 14 H142 H_ALI 0 0.0000 4.5490 -0.2910 5.3360 12 0 0 0 16 15 H143 H_ALI 0 0.0000 4.1950 0.7470 3.9350 12 0 0 0 16 16 Q2 PSEUD 0 0.0000 3.9150 0.3457 4.8387 0 0 0 0 22 17 C15 C_ALI 0 0.0000 4.2080 -1.8570 3.1300 6 18 19 20 0 18 H151 H_ALI 0 0.0000 3.7590 -2.7050 2.6140 17 0 0 0 21 19 H152 H_ALI 0 0.0000 4.6370 -1.1720 2.3980 17 0 0 0 21 20 H153 H_ALI 0 0.0000 4.9920 -2.2110 3.7990 17 0 0 0 21 21 Q3 PSEUD 0 0.0000 4.4627 -2.0293 2.9370 0 0 0 0 22 22 QQA PSEUD 0 0.0000 3.5892 -1.3336 4.3296 0 0 0 0 0 23 C2 C_ARO 0 0.0000 1.0290 0.4070 1.4150 3 24 44 0 0 24 C3 C_BYL 0 0.0000 0.7440 1.2650 0.2610 23 25 26 0 0 25 O2 O_BYL 0 0.0000 0.5120 2.4480 0.4240 24 0 0 0 0 26 C4 C_ARO 0 0.0000 0.7390 0.6920 -1.1010 24 27 31 0 0 27 C5 C_ARO 0 0.0000 0.5440 1.5200 -2.2100 26 28 29 0 0 28 CL1 C_XXX 0 0.0000 0.3140 3.2270 -1.9920 27 0 0 0 0 29 C6 C_ARO 0 0.0000 0.5470 0.9790 -3.4810 27 30 33 0 0 30 H6 H_ALI 0 0.0000 0.4010 1.6180 -4.3390 29 0 0 0 0 31 C9 C_ARO 0 0.0000 0.9240 -0.6780 -1.2870 26 32 43 0 0 32 C8 C_ARO 0 0.0000 0.9180 -1.2060 -2.5610 31 33 42 0 0 33 C7 C_ARO 0 0.0000 0.7300 -0.3800 -3.6550 29 32 34 0 0 34 S1 S_XXX 0 0.0000 0.7250 -1.0640 -5.2790 33 35 36 37 0 35 O3 O_XXX 0 0.0000 1.5200 -2.2320 -5.1320 34 0 0 0 0 36 O4 O_XXX 0 0.0000 1.1350 0.0320 -6.0840 34 0 0 0 0 37 C10 C_ALI 0 0.0000 -1.0210 -1.4740 -5.5490 34 38 39 40 0 38 H101 H_ALI 0 0.0000 -1.1420 -1.9120 -6.5400 37 0 0 0 41 39 H102 H_ALI 0 0.0000 -1.3470 -2.1890 -4.7940 37 0 0 0 41 40 H103 H_ALI 0 0.0000 -1.6230 -0.5680 -5.4750 37 0 0 0 41 41 Q4 PSEUD 0 0.0000 -1.3707 -1.5563 -5.6030 0 0 0 0 0 42 H8 H_ALI 0 0.0000 1.0620 -2.2670 -2.7050 32 0 0 0 0 43 H9 H_ALI 0 0.0000 1.0710 -1.3240 -0.4340 31 0 0 0 0 44 C11 C_ARO 0 0.0000 0.0670 -0.4110 2.1630 5 23 45 0 0 45 C16 C_ARO 0 0.0000 -1.3850 -0.5300 1.8940 44 46 54 0 0 46 C17 C_ARO 0 0.0000 -2.2160 0.5820 2.0330 45 47 48 0 0 47 CL2 C_XXX 0 0.0000 -1.5490 2.1100 2.5150 46 0 0 0 0 48 C18 C_ARO 0 0.0000 -3.5680 0.4660 1.7760 46 49 53 0 0 49 C19 C_ARO 0 0.0000 -4.1000 -0.7510 1.3910 48 50 51 0 0 50 CL3 C_XXX 0 0.0000 -5.8010 -0.8910 1.0760 49 0 0 0 0 51 C20 C_ARO 0 0.0000 -3.2810 -1.8590 1.2580 49 52 54 0 0 52 H20 H_ALI 0 0.0000 -3.7010 -2.8080 0.9580 51 0 0 0 0 53 H18 H_ALI 0 0.0000 -4.2120 1.3280 1.8780 48 0 0 0 0 54 C21 C_ARO 0 0.0000 -1.9280 -1.7540 1.5070 45 51 55 0 0 55 H21 H_ALI 0 0.0000 -1.2900 -2.6190 1.4020 54 0 0 0 0