REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = 2-[3-(3-ETHYL-1-METHYL-2-OXO-AZEPAN-3-YL)-PHENOXY]-4-[1-AMINO-1-(1-METHYL-1H-IMIDIZOL-5-YL)-ETHYL]-BENZONITRILE RESIDUE BNE 18 81 1 81 1 CHI1 0 0 0.0000 14 1 2 3 13 2 CHI2 0 0 0.0000 1 2 3 4 12 3 CHI3 0 0 0.0000 2 3 4 5 7 4 CHI4 0 0 0.0000 2 3 8 9 12 5 CHI5 0 0 0.0000 2 1 14 15 25 6 CHI6 0 0 0.0000 1 14 15 16 22 7 CHI7 0 0 0.0000 14 15 16 17 19 8 CHI8 0 0 0.0000 2 1 26 27 34 9 CHI9 0 0 0.0000 1 26 27 28 31 10 PHI1 0 0 0.0000 2 1 35 42 0 11 PHI2 0 0 0.0000 38 44 48 49 0 12 PHI3 0 0 0.0000 44 48 49 57 0 13 CHI10 0 0 0.0000 49 50 55 56 56 14 PHI4 0 0 0.0000 52 59 60 70 0 15 CHI11 0 0 0.0000 59 60 61 62 65 16 CHI12 0 0 0.0000 59 60 66 67 69 17 PHI5 0 0 0.0000 59 60 70 79 0 18 CHI13 0 0 0.0000 70 71 74 75 78 1 C1 C_ALI 0 0.0000 -3.5740 0.0210 0.2100 2 14 26 35 0 2 C3 C_BYL 0 0.0000 -3.1050 -0.9850 -0.8010 1 3 13 0 0 3 N8 N_AMO 0 0.0000 -3.7780 -2.0760 -1.1530 2 4 8 0 0 4 C14 C_ALI 0 0.0000 -5.0160 -2.5140 -0.5180 3 5 6 16 0 5 H141 H_ALI 0 0.0000 -4.8060 -2.8250 0.5050 4 0 0 0 7 6 H142 H_ALI 0 0.0000 -5.4270 -3.3570 -1.0730 4 0 0 0 7 7 Q1 PSEUD 0 0.0000 -5.1165 -3.0910 -0.2840 0 0 0 0 0 8 C15 C_ALI 0 0.0000 -3.2430 -2.8890 -2.2480 3 9 10 11 0 9 H151 H_ALI 0 0.0000 -3.8980 -3.7430 -2.4200 8 0 0 0 12 10 H152 H_ALI 0 0.0000 -3.1860 -2.2860 -3.1540 8 0 0 0 12 11 H153 H_ALI 0 0.0000 -2.2470 -3.2430 -1.9840 8 0 0 0 12 12 Q2 PSEUD 0 0.0000 -3.1103 -3.0907 -2.5193 0 0 0 0 0 13 O9 O_BYL 0 0.0000 -2.0350 -0.7870 -1.3370 2 0 0 0 0 14 C4 C_ALI 0 0.0000 -4.4370 -0.6530 1.2790 1 15 23 24 0 15 C10 C_ALI 0 0.0000 -5.9000 -0.6220 0.8240 14 16 20 21 0 16 C16 C_ALI 0 0.0000 -6.0360 -1.3700 -0.5020 4 15 17 18 0 17 H161 H_ALI 0 0.0000 -7.0430 -1.7760 -0.5930 16 0 0 0 19 18 H162 H_ALI 0 0.0000 -5.8370 -0.6890 -1.3300 16 0 0 0 19 19 Q3 PSEUD 0 0.0000 -6.4400 -1.2325 -0.9615 0 0 0 0 0 20 H101 H_ALI 0 0.0000 -6.5250 -1.1010 1.5780 15 0 0 0 22 21 H102 H_ALI 0 0.0000 -6.2170 0.4130 0.6920 15 0 0 0 22 22 Q4 PSEUD 0 0.0000 -6.3710 -0.3440 1.1350 0 0 0 0 0 23 H41 H_ALI 0 0.0000 -4.1170 -1.6870 1.4090 14 0 0 0 25 24 H42 H_ALI 0 0.0000 -4.3370 -0.1160 2.2220 14 0 0 0 25 25 Q5 PSEUD 0 0.0000 -4.2270 -0.9015 1.8155 0 0 0 0 0 26 C5 C_ALI 0 0.0000 -4.3960 1.1010 -0.4960 1 27 32 33 0 27 C11 C_ALI 0 0.0000 -4.7170 2.2250 0.4920 26 28 29 30 0 28 H111 H_ALI 0 0.0000 -5.3300 1.8320 1.3030 27 0 0 0 31 29 H112 H_ALI 0 0.0000 -3.7890 2.6260 0.8990 27 0 0 0 31 30 H113 H_ALI 0 0.0000 -5.2600 3.0170 -0.0230 27 0 0 0 31 31 Q6 PSEUD 0 0.0000 -4.7930 2.4917 0.7263 0 0 0 0 0 32 H51 H_ALI 0 0.0000 -5.3250 0.6660 -0.8660 26 0 0 0 34 33 H52 H_ALI 0 0.0000 -3.8250 1.5040 -1.3320 26 0 0 0 34 34 Q7 PSEUD 0 0.0000 -4.5750 1.0850 -1.0990 0 0 0 0 0 35 C2 C_ARO 0 0.0000 -2.3770 0.6580 0.8670 1 36 42 0 0 36 C7 C_ARO 0 0.0000 -2.1190 0.4260 2.2060 35 37 41 0 0 37 C13 C_ARO 0 0.0000 -1.0210 1.0090 2.8120 36 38 40 0 0 38 C18 C_ARO 0 0.0000 -0.1800 1.8260 2.0810 37 39 44 0 0 39 H181 H_ALI 0 0.0000 0.6770 2.2810 2.5550 38 0 0 0 0 40 H131 H_ALI 0 0.0000 -0.8220 0.8270 3.8570 37 0 0 0 46 41 H71 H_ALI 0 0.0000 -2.7760 -0.2110 2.7790 36 0 0 0 45 42 C6 C_ARO 0 0.0000 -1.5360 1.4690 0.1310 35 43 44 0 0 43 H61 H_ALI 0 0.0000 -1.7380 1.6500 -0.9150 42 0 0 0 45 44 C12 C_ARO 0 0.0000 -0.4360 2.0600 0.7380 38 42 48 0 0 45 Q11 PSEUD 0 0.0000 -2.2570 0.7195 0.9320 0 0 0 0 47 46 Q12 PSEUD 0 0.0000 -0.8220 0.8270 3.8570 0 0 0 0 47 47 QQA PSEUD 0 0.0000 -1.5395 0.7732 2.3945 0 0 0 0 0 48 O17 O_EST 0 0.0000 0.3900 2.8620 0.0170 44 49 0 0 0 49 C19 C_ARO 0 0.0000 1.4300 2.0910 -0.3890 48 50 57 0 0 50 C20 C_ARO 0 0.0000 2.4900 2.6600 -1.1080 49 51 55 0 0 51 C22 C_ARO 0 0.0000 3.5580 1.8560 -1.5150 50 52 54 0 0 52 C25 C_ARO 0 0.0000 3.5570 0.5100 -1.2180 51 53 59 0 0 53 H251 H_ALI 0 0.0000 4.3810 -0.1110 -1.5370 52 0 0 0 0 54 H221 H_ALI 0 0.0000 4.3810 2.2880 -2.0650 51 0 0 0 0 55 C23 C_XXX 0 0.0000 2.4840 4.0590 -1.4130 50 56 0 0 0 56 N26 N_AMO 0 0.0000 2.4800 5.1690 -1.6550 55 0 0 0 0 57 C21 C_ARO 0 0.0000 1.4450 0.7350 -0.0990 49 58 59 0 0 58 H211 H_ALI 0 0.0000 0.6290 0.2910 0.4510 57 0 0 0 0 59 C24 C_ARO 0 0.0000 2.5050 -0.0490 -0.5130 52 57 60 0 0 60 C27 C_ALI 0 0.0000 2.5150 -1.5220 -0.1940 59 61 66 70 0 61 C29 C_ALI 0 0.0000 2.0240 -2.3110 -1.4100 60 62 63 64 0 62 H291 H_ALI 0 0.0000 2.6810 -2.1180 -2.2580 61 0 0 0 65 63 H292 H_ALI 0 0.0000 2.0320 -3.3760 -1.1790 61 0 0 0 65 64 H293 H_ALI 0 0.0000 1.0090 -2.0000 -1.6580 61 0 0 0 65 65 Q8 PSEUD 0 0.0000 1.9073 -2.4980 -1.6983 0 0 0 0 0 66 N30 N_AMO 0 0.0000 1.6300 -1.7820 0.9490 60 67 68 0 0 67 H301 H_AMI 0 0.0000 1.7760 -2.7440 1.2160 66 0 0 0 69 68 H302 H_AMI 0 0.0000 1.9670 -1.2150 1.7120 66 0 0 0 69 69 Q9 PSEUD 0 0.0000 1.8715 -1.9795 1.4640 0 0 0 0 0 70 C28 C_ARO 0 0.0000 3.9180 -1.9510 0.1500 60 71 79 0 0 71 N31 N_AMO 0 0.0000 4.7400 -1.3810 1.0840 70 72 74 0 0 72 C33 C_ARO 0 0.0000 5.9000 -2.0730 1.0710 71 73 81 0 0 73 H331 H_ALI 0 0.0000 6.7580 -1.8750 1.6960 72 0 0 0 0 74 C34 C_ALI 0 0.0000 4.4190 -0.2390 1.9440 71 75 76 77 0 75 H341 H_ALI 0 0.0000 4.7140 0.6840 1.4460 74 0 0 0 78 76 H342 H_ALI 0 0.0000 3.3460 -0.2210 2.1370 74 0 0 0 78 77 H343 H_ALI 0 0.0000 4.9570 -0.3320 2.8870 74 0 0 0 78 78 Q10 PSEUD 0 0.0000 4.3390 0.0437 2.1567 0 0 0 0 0 79 C32 C_ARO 0 0.0000 4.6070 -2.9660 -0.4080 70 80 81 0 0 80 H321 H_ALI 0 0.0000 4.2490 -3.6230 -1.1860 79 0 0 0 0 81 NZ N_AMI 0 0.0000 5.8140 -3.0170 0.1740 72 79 0 0 0