REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = 1-[(4R)-4-[3-(4-ACETYLPIPERAZIN-1-YL)PROPYL]-1-(2-FLUORO-5-METHYLPHENYL)-4-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-3-YL]ETHANONE RESIDUE MKK 19 81 1 81 1 CHI1 0 0 0.0000 2 1 8 9 12 2 PHI1 0 0 0.0000 4 15 16 26 0 3 CHI2 0 0 0.0000 15 16 17 18 25 4 CHI3 0 0 0.0000 17 18 19 20 25 5 CHI4 0 0 0.0000 18 19 20 21 24 6 PHI2 0 0 0.0000 15 16 26 30 0 7 PHI3 0 0 0.0000 16 26 30 45 0 8 CHI5 0 0 0.0000 26 30 31 32 42 9 PHI4 0 0 0.0000 26 30 45 49 0 10 PHI5 0 0 0.0000 30 45 49 53 0 11 PHI6 0 0 0.0000 45 49 53 57 0 12 PHI7 0 0 0.0000 49 53 57 66 0 13 CHI6 0 0 0.0000 53 57 58 59 65 14 CHI7 0 0 0.0000 57 58 59 60 62 15 PHI8 0 0 0.0000 53 57 66 70 0 16 PHI9 0 0 0.0000 57 66 70 74 0 17 PHI10 0 0 0.0000 66 70 74 75 0 18 PHI11 0 0 0.0000 70 74 75 81 0 19 CHI8 0 0 0.0000 74 75 76 77 80 1 C1 C_ARO 0 0.0000 -2.7310 4.6140 0.2860 2 8 13 0 0 2 C6 C_ARO 0 0.0000 -1.5110 5.2480 0.1450 1 3 7 0 0 3 C5 C_ARO 0 0.0000 -0.3660 4.5090 -0.0900 2 4 6 0 0 4 C4 C_ARO 0 0.0000 -0.4400 3.1330 -0.1960 3 5 15 0 0 5 F40 X_XXX 0 0.0000 0.6780 2.4110 -0.4310 4 0 0 0 0 6 H5 H_ALI 0 0.0000 0.5860 5.0080 -0.1950 3 0 0 0 0 7 H6 H_ALI 0 0.0000 -1.4510 6.3240 0.2230 2 0 0 0 0 8 C10 C_ALI 0 0.0000 -3.9750 5.4240 0.5490 1 9 10 11 0 9 H101 H_ALI 0 0.0000 -4.4340 5.7020 -0.4000 8 0 0 0 12 10 H102 H_ALI 0 0.0000 -4.6780 4.8310 1.1330 8 0 0 0 12 11 H103 H_ALI 0 0.0000 -3.7110 6.3250 1.1030 8 0 0 0 12 12 Q1 PSEUD 0 0.0000 -4.2743 5.6193 0.6120 0 0 0 0 0 13 C2 C_ARO 0 0.0000 -2.8140 3.2390 0.1810 1 14 15 0 0 14 H2 H_ALI 0 0.0000 -3.7690 2.7450 0.2880 13 0 0 0 0 15 C3 C_ARO 0 0.0000 -1.6680 2.4920 -0.0600 4 13 16 0 0 16 N4 N_AMI 0 0.0000 -1.7480 1.1020 -0.1670 15 17 26 0 0 17 N1 N_AMO 0 0.0000 -1.8590 0.4610 -1.2660 16 18 0 0 0 18 C24 C_BYL 0 0.0000 -1.9200 -0.8340 -1.1760 17 19 30 0 0 19 C29 C_BYL 0 0.0000 -2.0430 -1.7320 -2.2540 18 20 25 0 0 20 C9 C_ALI 0 0.0000 -2.2280 -1.2070 -3.6540 19 21 22 23 0 21 H91 H_ALI 0 0.0000 -2.2410 -0.1170 -3.6350 20 0 0 0 24 22 H92 H_ALI 0 0.0000 -1.4050 -1.5490 -4.2820 20 0 0 0 24 23 H93 H_ALI 0 0.0000 -3.1710 -1.5740 -4.0590 20 0 0 0 24 24 Q2 PSEUD 0 0.0000 -2.2723 -1.0800 -3.9920 0 0 0 0 0 25 O39 O_BYL 0 0.0000 -2.0010 -2.9290 -2.0550 19 0 0 0 0 26 C14 C_ALI 0 0.0000 -1.7100 0.1700 0.9720 16 27 28 30 0 27 H141 H_ALI 0 0.0000 -0.7640 0.2540 1.5080 26 0 0 0 29 28 H142 H_ALI 0 0.0000 -2.5510 0.3450 1.6430 26 0 0 0 29 29 Q3 PSEUD 0 0.0000 -1.6575 0.2995 1.5755 0 0 0 0 0 30 C13 C_ALI 0 0.0000 -1.8350 -1.2110 0.2910 18 26 31 45 0 31 C17 C_ARO 0 0.0000 -3.0850 -1.9250 0.7360 30 32 36 0 0 32 C19 C_ARO 0 0.0000 -4.3210 -1.3320 0.5570 31 33 35 0 0 33 C20 C_ARO 0 0.0000 -5.4680 -1.9860 0.9650 32 34 38 0 0 34 H20 H_ALI 0 0.0000 -6.4330 -1.5230 0.8260 33 0 0 0 43 35 H19 H_ALI 0 0.0000 -4.3900 -0.3560 0.0980 32 0 0 0 42 36 C23 C_ARO 0 0.0000 -2.9970 -3.1750 1.3180 31 37 41 0 0 37 C22 C_ARO 0 0.0000 -4.1440 -3.8290 1.7300 36 38 40 0 0 38 C21 C_ARO 0 0.0000 -5.3790 -3.2350 1.5520 33 37 39 0 0 39 H21 H_ALI 0 0.0000 -6.2750 -3.7460 1.8710 38 0 0 0 0 40 H22 H_ALI 0 0.0000 -4.0740 -4.8040 2.1890 37 0 0 0 43 41 H23 H_ALI 0 0.0000 -2.0320 -3.6410 1.4540 36 0 0 0 42 42 Q12 PSEUD 0 0.0000 -3.2110 -1.9985 0.7760 0 0 0 0 44 43 Q13 PSEUD 0 0.0000 -5.2535 -3.1635 1.5075 0 0 0 0 44 44 QQA PSEUD 0 0.0000 -4.2323 -2.5810 1.1417 0 0 0 0 0 45 C7 C_ALI 0 0.0000 -0.5950 -2.0640 0.5640 30 46 47 49 0 46 H71 H_ALI 0 0.0000 -0.5060 -2.2430 1.6360 45 0 0 0 48 47 H72 H_ALI 0 0.0000 -0.6880 -3.0170 0.0440 45 0 0 0 48 48 Q4 PSEUD 0 0.0000 -0.5970 -2.6300 0.8400 0 0 0 0 0 49 C8 C_ALI 0 0.0000 0.6500 -1.3290 0.0650 45 50 51 53 0 50 H81 H_ALI 0 0.0000 0.5840 -1.1940 -1.0150 49 0 0 0 52 51 H82 H_ALI 0 0.0000 0.7160 -0.3550 0.5490 49 0 0 0 52 52 Q5 PSEUD 0 0.0000 0.6500 -0.7745 -0.2330 0 0 0 0 0 53 C11 C_ALI 0 0.0000 1.8960 -2.1510 0.4000 49 54 55 57 0 54 H111 H_ALI 0 0.0000 1.9630 -2.2860 1.4800 53 0 0 0 56 55 H112 H_ALI 0 0.0000 1.8300 -3.1260 -0.0840 53 0 0 0 56 56 Q6 PSEUD 0 0.0000 1.8965 -2.7060 0.6980 0 0 0 0 0 57 N2 N_AMI 0 0.0000 3.0920 -1.4460 -0.0800 53 58 66 0 0 58 C15 C_ALI 0 0.0000 4.2810 -2.3040 0.0090 57 59 63 64 0 59 C16 C_ALI 0 0.0000 5.4650 -1.6020 -0.6640 58 60 61 74 0 60 H161 H_ALI 0 0.0000 6.3740 -2.1810 -0.5020 59 0 0 0 62 61 H162 H_ALI 0 0.0000 5.2740 -1.5070 -1.7330 59 0 0 0 62 62 Q7 PSEUD 0 0.0000 5.8240 -1.8440 -1.1175 0 0 0 0 0 63 H151 H_ALI 0 0.0000 4.5170 -2.4910 1.0570 58 0 0 0 65 64 H152 H_ALI 0 0.0000 4.0850 -3.2510 -0.4950 58 0 0 0 65 65 Q8 PSEUD 0 0.0000 4.3010 -2.8710 0.2810 0 0 0 0 0 66 C12 C_ALI 0 0.0000 3.2890 -0.1860 0.6500 57 67 68 70 0 67 H121 H_ALI 0 0.0000 2.3730 0.4030 0.6120 66 0 0 0 69 68 H122 H_ALI 0 0.0000 3.5390 -0.4030 1.6890 66 0 0 0 69 69 Q9 PSEUD 0 0.0000 2.9560 0.0000 1.1505 0 0 0 0 0 70 C18 C_ALI 0 0.0000 4.4320 0.6020 0.0030 66 71 72 74 0 71 H181 H_ALI 0 0.0000 4.1420 0.9100 -1.0020 70 0 0 0 73 72 H182 H_ALI 0 0.0000 4.6580 1.4810 0.6070 70 0 0 0 73 73 Q10 PSEUD 0 0.0000 4.4000 1.1955 -0.1975 0 0 0 0 0 74 N3 N_AMI 0 0.0000 5.6170 -0.2660 -0.0680 59 70 75 0 0 75 C25 C_BYL 0 0.0000 6.8100 0.1510 0.4000 74 76 81 0 0 76 C26 C_ALI 0 0.0000 6.9190 1.4770 1.1080 75 77 78 79 0 77 H261 H_ALI 0 0.0000 5.9260 1.9100 1.2230 76 0 0 0 80 78 H262 H_ALI 0 0.0000 7.3670 1.3280 2.0910 76 0 0 0 80 79 H263 H_ALI 0 0.0000 7.5450 2.1500 0.5230 76 0 0 0 80 80 Q11 PSEUD 0 0.0000 6.9460 1.7960 1.2790 0 0 0 0 0 81 O1 O_BYL 0 0.0000 7.7950 -0.5410 0.2520 75 0 0 0 0