REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = 1-{(3R,3AR)-3-[3-(4-ACETYLPIPERAZIN-1-YL)PROPYL]-8-FLUORO-3-PHENYL-3A,4-DIHYDRO-3H-PYRAZOLO[5,1-C][1,4]BENZOXAZIN-2-YL}ETHANONE RESIDUE MKR 16 79 1 79 1 CHI1 0 0 0.0000 15 16 17 18 25 2 CHI2 0 0 0.0000 17 18 19 20 25 3 CHI3 0 0 0.0000 18 19 20 21 24 4 PHI1 0 0 0.0000 6 26 28 43 0 5 CHI4 0 0 0.0000 26 28 29 30 40 6 PHI2 0 0 0.0000 26 28 43 47 0 7 PHI3 0 0 0.0000 28 43 47 51 0 8 PHI4 0 0 0.0000 43 47 51 55 0 9 PHI5 0 0 0.0000 47 51 55 64 0 10 CHI5 0 0 0.0000 51 55 56 57 63 11 CHI6 0 0 0.0000 55 56 57 58 60 12 PHI6 0 0 0.0000 51 55 64 68 0 13 PHI7 0 0 0.0000 55 64 68 72 0 14 PHI8 0 0 0.0000 64 68 72 73 0 15 PHI9 0 0 0.0000 68 72 73 79 0 16 CHI7 0 0 0.0000 72 73 74 75 78 1 C1 C_ARO 0 0.0000 2.8000 4.4360 0.7140 2 12 13 0 0 2 C6 C_ARO 0 0.0000 3.2860 4.6830 -0.5590 1 3 11 0 0 3 C5 C_ARO 0 0.0000 3.2620 3.6950 -1.5250 2 4 10 0 0 4 C4 C_ARO 0 0.0000 2.7470 2.4420 -1.2270 3 5 15 0 0 5 O1 O_EST 0 0.0000 2.7130 1.4790 -2.1820 4 6 0 0 0 6 C7 C_ALI 0 0.0000 2.5400 0.1100 -1.8040 5 7 8 26 0 7 H71 H_ALI 0 0.0000 3.4560 -0.2610 -1.3430 6 0 0 0 9 8 H72 H_ALI 0 0.0000 2.3020 -0.4860 -2.6840 6 0 0 0 9 9 Q1 PSEUD 0 0.0000 2.8790 -0.3735 -2.0135 0 0 0 0 0 10 H5 H_ALI 0 0.0000 3.6450 3.8990 -2.5140 3 0 0 0 0 11 H6 H_ALI 0 0.0000 3.6880 5.6570 -0.7990 2 0 0 0 0 12 F1 X_XXX 0 0.0000 2.8200 5.4120 1.6470 1 0 0 0 0 13 C2 C_ARO 0 0.0000 2.2870 3.1870 1.0260 1 14 15 0 0 14 H2 H_ALI 0 0.0000 1.9080 2.9890 2.0180 13 0 0 0 0 15 C3 C_ARO 0 0.0000 2.2620 2.1980 0.0620 4 13 16 0 0 16 N2 N_AMI 0 0.0000 1.7640 0.9180 0.3280 15 17 26 0 0 17 N12 N_AMO 0 0.0000 1.6230 0.3100 1.4330 16 18 0 0 0 18 C8 C_BYL 0 0.0000 1.4300 -0.9770 1.3540 17 19 28 0 0 19 C20 C_BYL 0 0.0000 1.3220 -1.8640 2.4420 18 20 25 0 0 20 C9 C_ALI 0 0.0000 1.5450 -1.3650 3.8460 19 21 22 23 0 21 H91 H_ALI 0 0.0000 1.7780 -0.3000 3.8200 20 0 0 0 24 22 H92 H_ALI 0 0.0000 0.6430 -1.5250 4.4360 20 0 0 0 24 23 H93 H_ALI 0 0.0000 2.3760 -1.9080 4.2970 20 0 0 0 24 24 Q2 PSEUD 0 0.0000 1.5990 -1.2443 4.1843 0 0 0 0 0 25 O25 O_BYL 0 0.0000 1.0480 -3.0320 2.2480 19 0 0 0 0 26 C15 C_ALI 0 0.0000 1.3880 0.0240 -0.7970 6 16 27 28 0 27 H15 H_ALI 0 0.0000 0.4280 0.2950 -1.2380 26 0 0 0 0 28 C14 C_ALI 0 0.0000 1.3430 -1.3540 -0.1150 18 26 29 43 0 29 C18 C_ARO 0 0.0000 2.5230 -2.1970 -0.5260 28 30 34 0 0 30 C26 C_ARO 0 0.0000 3.5690 -2.3980 0.3550 29 31 33 0 0 31 C27 C_ARO 0 0.0000 4.6510 -3.1710 -0.0220 30 32 36 0 0 32 H27 H_ALI 0 0.0000 5.4690 -3.3280 0.6660 31 0 0 0 41 33 H26 H_ALI 0 0.0000 3.5410 -1.9500 1.3370 30 0 0 0 40 34 C30 C_ARO 0 0.0000 2.5550 -2.7740 -1.7810 29 35 39 0 0 35 C29 C_ARO 0 0.0000 3.6390 -3.5450 -2.1600 34 36 38 0 0 36 C28 C_ARO 0 0.0000 4.6860 -3.7450 -1.2800 31 35 37 0 0 37 H28 H_ALI 0 0.0000 5.5320 -4.3480 -1.5740 36 0 0 0 0 38 H29 H_ALI 0 0.0000 3.6670 -3.9920 -3.1420 35 0 0 0 41 39 H30 H_ALI 0 0.0000 1.7360 -2.6210 -2.4680 34 0 0 0 40 40 Q11 PSEUD 0 0.0000 2.6385 -2.2855 -0.5655 0 0 0 0 42 41 Q12 PSEUD 0 0.0000 4.5680 -3.6600 -1.2380 0 0 0 0 42 42 QQA PSEUD 0 0.0000 3.6033 -2.9728 -0.9017 0 0 0 0 0 43 C10 C_ALI 0 0.0000 0.0270 -2.0730 -0.4190 28 44 45 47 0 44 H101 H_ALI 0 0.0000 -0.0520 -2.2490 -1.4920 43 0 0 0 46 45 H102 H_ALI 0 0.0000 0.0050 -3.0270 0.1080 43 0 0 0 46 46 Q3 PSEUD 0 0.0000 -0.0235 -2.6380 -0.6920 0 0 0 0 0 47 C11 C_ALI 0 0.0000 -1.1460 -1.2070 0.0440 43 48 49 51 0 48 H111 H_ALI 0 0.0000 -1.0850 -1.0580 1.1220 47 0 0 0 50 49 H112 H_ALI 0 0.0000 -1.1050 -0.2410 -0.4590 47 0 0 0 50 50 Q4 PSEUD 0 0.0000 -1.0950 -0.6495 0.3315 0 0 0 0 0 51 C12 C_ALI 0 0.0000 -2.4630 -1.9050 -0.3010 47 52 53 55 0 52 H121 H_ALI 0 0.0000 -2.5240 -2.0540 -1.3790 51 0 0 0 54 53 H122 H_ALI 0 0.0000 -2.5040 -2.8720 0.2020 51 0 0 0 54 54 Q5 PSEUD 0 0.0000 -2.5140 -2.4630 -0.5885 0 0 0 0 0 55 N3 N_AMI 0 0.0000 -3.5890 -1.0740 0.1430 51 56 64 0 0 56 C17 C_ALI 0 0.0000 -3.6440 0.1850 -0.6130 55 57 61 62 0 57 C21 C_ALI 0 0.0000 -4.7130 1.0970 -0.0020 56 58 59 72 0 58 H211 H_ALI 0 0.0000 -4.4110 1.3930 1.0030 57 0 0 0 60 59 H212 H_ALI 0 0.0000 -4.8390 1.9820 -0.6250 57 0 0 0 60 60 Q6 PSEUD 0 0.0000 -4.6250 1.6875 0.1890 0 0 0 0 0 61 H171 H_ALI 0 0.0000 -2.6740 0.6800 -0.5670 56 0 0 0 63 62 H172 H_ALI 0 0.0000 -3.8970 -0.0260 -1.6520 56 0 0 0 63 63 Q7 PSEUD 0 0.0000 -3.2855 0.3270 -1.1095 0 0 0 0 0 64 C16 C_ALI 0 0.0000 -4.8570 -1.8090 0.0460 55 65 66 68 0 65 H161 H_ALI 0 0.0000 -5.0920 -1.9920 -1.0020 64 0 0 0 67 66 H162 H_ALI 0 0.0000 -4.7660 -2.7610 0.5700 64 0 0 0 67 67 Q8 PSEUD 0 0.0000 -4.9290 -2.3765 -0.2160 0 0 0 0 0 68 C19 C_ALI 0 0.0000 -5.9760 -0.9790 0.6840 64 69 70 72 0 69 H191 H_ALI 0 0.0000 -6.9360 -1.4660 0.5140 68 0 0 0 71 70 H192 H_ALI 0 0.0000 -5.7950 -0.8820 1.7550 68 0 0 0 71 71 Q9 PSEUD 0 0.0000 -6.3655 -1.1740 1.1345 0 0 0 0 0 72 N1 N_AMI 0 0.0000 -5.9810 0.3540 0.0620 57 68 73 0 0 73 C22 C_BYL 0 0.0000 -7.1170 0.8800 -0.4360 72 74 79 0 0 74 C24 C_ALI 0 0.0000 -7.0800 2.1950 -1.1720 73 75 76 77 0 75 H241 H_ALI 0 0.0000 -6.0450 2.5170 -1.2870 74 0 0 0 78 76 H242 H_ALI 0 0.0000 -7.5340 2.0730 -2.1560 74 0 0 0 78 77 H243 H_ALI 0 0.0000 -7.6330 2.9440 -0.6070 74 0 0 0 78 78 Q10 PSEUD 0 0.0000 -7.0707 2.5113 -1.3500 0 0 0 0 0 79 O2 O_BYL 0 0.0000 -8.1700 0.2960 -0.2920 73 0 0 0 0