REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = 2,7-DIBENZYL-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-[1,2,7]THIADIAZEPANE-4,5-DIOL RESIDUE NMB 18 91 1 91 1 CHI1 0 0 0.0000 31 1 2 3 30 2 CHI2 0 0 0.0000 1 2 3 4 10 3 CHI3 0 0 0.0000 2 3 4 5 7 4 CHI4 0 0 0.0000 3 4 5 6 6 5 CHI5 0 0 0.0000 2 3 8 9 9 6 CHI6 0 0 0.0000 1 2 11 12 29 7 CHI7 0 0 0.0000 2 11 12 13 24 8 CHI8 0 0 0.0000 11 12 13 14 24 9 CHI9 0 0 0.0000 2 1 31 32 48 10 CHI10 0 0 0.0000 1 31 32 33 43 11 PHI1 0 0 0.0000 2 1 49 52 0 12 PHI2 0 0 0.0000 1 49 52 71 0 13 CHI11 0 0 0.0000 49 52 53 54 70 14 CHI12 0 0 0.0000 52 53 54 55 65 15 PHI3 0 0 0.0000 49 52 71 73 0 16 PHI4 0 0 0.0000 52 71 73 90 0 17 CHI13 0 0 0.0000 71 73 74 75 86 18 CHI14 0 0 0.0000 73 74 75 76 86 1 N01 N_AMI 0 0.0000 -0.4080 0.8330 -1.2780 2 31 49 0 0 2 C07 C_ALI 0 0.0000 0.3540 -0.3730 -1.5120 1 3 11 30 0 3 C06 C_ALI 0 0.0000 -0.2010 -1.5420 -0.7010 2 4 8 10 0 4 C05 C_ALI 0 0.0000 0.2320 -1.5370 0.7100 3 5 7 71 0 5 O30 O_HYD 0 0.0000 1.6590 -1.4760 0.7500 4 6 0 0 0 6 HO3 H_OXY 0 0.0000 1.9850 -2.2440 0.2620 5 0 0 0 0 7 H05 H_ALI 0 0.0000 -0.0900 -2.4670 1.1780 4 0 0 0 0 8 O31 O_HYD 0 0.0000 -1.6280 -1.4870 -0.7420 3 9 0 0 0 9 HO1 H_OXY 0 0.0000 -1.9510 -2.2700 -0.2740 8 0 0 0 0 10 H06 H_ALI 0 0.0000 0.1250 -2.4740 -1.1630 3 0 0 0 0 11 C32 C_ALI 0 0.0000 0.2940 -0.7210 -3.0010 2 12 27 28 0 12 O33 O_EST 0 0.0000 0.8120 0.3670 -3.7660 11 13 0 0 0 13 C34 C_ARO 0 0.0000 0.7340 0.0020 -5.0730 12 14 18 0 0 14 C35 C_ARO 0 0.0000 1.1700 0.8690 -6.0640 13 15 17 0 0 15 C36 C_ARO 0 0.0000 1.0900 0.4940 -7.3920 14 16 20 0 0 16 H36 H_ALI 0 0.0000 1.4290 1.1690 -8.1640 15 0 0 0 25 17 H35 H_ALI 0 0.0000 1.5720 1.8350 -5.7990 14 0 0 0 24 18 C39 C_ARO 0 0.0000 0.2240 -1.2410 -5.4170 13 19 23 0 0 19 C38 C_ARO 0 0.0000 0.1400 -1.6080 -6.7460 18 20 22 0 0 20 C37 C_ARO 0 0.0000 0.5750 -0.7420 -7.7320 15 19 21 0 0 21 H37 H_ALI 0 0.0000 0.5130 -1.0330 -8.7710 20 0 0 0 0 22 H38 H_ALI 0 0.0000 -0.2610 -2.5730 -7.0150 19 0 0 0 25 23 H39 H_ALI 0 0.0000 -0.1150 -1.9170 -4.6470 18 0 0 0 24 24 Q9 PSEUD 0 0.0000 0.7285 -0.0410 -5.2230 0 0 0 0 26 25 Q10 PSEUD 0 0.0000 0.5840 -0.7020 -7.5895 0 0 0 0 26 26 QQC PSEUD 0 0.0000 0.6563 -0.3715 -6.4062 0 0 0 0 0 27 H321 H_ALI 0 0.0000 0.8910 -1.6140 -3.1890 11 0 0 0 29 28 H322 H_ALI 0 0.0000 -0.7390 -0.9090 -3.2890 11 0 0 0 29 29 Q1 PSEUD 0 0.0000 0.0760 -1.2615 -3.2390 0 0 0 0 0 30 H07 H_ALI 0 0.0000 1.3920 -0.2010 -1.2270 2 0 0 0 0 31 C08 C_ALI 0 0.0000 -1.5350 1.1750 -2.1490 1 32 46 47 0 32 C09 C_ARO 0 0.0000 -2.7790 0.4820 -1.6570 31 33 37 0 0 33 C10 C_ARO 0 0.0000 -3.4900 1.0100 -0.5960 32 34 36 0 0 34 C11 C_ARO 0 0.0000 -4.6320 0.3740 -0.1450 33 35 39 0 0 35 H11 H_ALI 0 0.0000 -5.1870 0.7860 0.6840 34 0 0 0 44 36 H10 H_ALI 0 0.0000 -3.1540 1.9190 -0.1200 33 0 0 0 43 37 C14 C_ARO 0 0.0000 -3.2120 -0.6780 -2.2710 32 38 42 0 0 38 C13 C_ARO 0 0.0000 -4.3520 -1.3160 -1.8170 37 39 41 0 0 39 C12 C_ARO 0 0.0000 -5.0620 -0.7880 -0.7550 34 38 40 0 0 40 H12 H_ALI 0 0.0000 -5.9540 -1.2850 -0.4020 39 0 0 0 0 41 H13 H_ALI 0 0.0000 -4.6880 -2.2250 -2.2930 38 0 0 0 44 42 H14 H_ALI 0 0.0000 -2.6570 -1.0900 -3.1000 37 0 0 0 43 43 Q5 PSEUD 0 0.0000 -2.9055 0.4145 -1.6100 0 0 0 0 45 44 Q6 PSEUD 0 0.0000 -4.9375 -0.7195 -0.8045 0 0 0 0 45 45 QQA PSEUD 0 0.0000 -3.9215 -0.1525 -1.2072 0 0 0 0 0 46 H081 H_ALI 0 0.0000 -1.6900 2.2540 -2.1360 31 0 0 0 48 47 H082 H_ALI 0 0.0000 -1.3170 0.8520 -3.1680 31 0 0 0 48 48 Q2 PSEUD 0 0.0000 -1.5035 1.5530 -2.6520 0 0 0 0 0 49 S02 S_XXX 0 0.0000 0.0040 1.8320 -0.0050 1 50 51 52 0 50 O15 O_XXX 0 0.0000 1.2030 2.4860 -0.3990 49 0 0 0 0 51 O40 O_XXX 0 0.0000 -1.1970 2.4820 0.3830 49 0 0 0 0 52 N03 N_AMI 0 0.0000 0.4240 0.8430 1.2730 49 53 71 0 0 53 C23 C_ALI 0 0.0000 1.5480 1.1980 2.1430 52 54 68 69 0 54 C24 C_ARO 0 0.0000 2.7960 0.5050 1.6600 53 55 59 0 0 55 C25 C_ARO 0 0.0000 3.5100 1.0280 0.5980 54 56 58 0 0 56 C26 C_ARO 0 0.0000 4.6540 0.3920 0.1550 55 57 61 0 0 57 H26 H_ALI 0 0.0000 5.2120 0.8000 -0.6740 56 0 0 0 66 58 H25 H_ALI 0 0.0000 3.1730 1.9330 0.1140 55 0 0 0 65 59 C29 C_ARO 0 0.0000 3.2300 -0.6490 2.2830 54 60 64 0 0 60 C28 C_ARO 0 0.0000 4.3730 -1.2870 1.8370 59 61 63 0 0 61 C27 C_ARO 0 0.0000 5.0860 -0.7650 0.7740 56 60 62 0 0 62 H27 H_ALI 0 0.0000 5.9800 -1.2620 0.4280 61 0 0 0 0 63 H28 H_ALI 0 0.0000 4.7090 -2.1920 2.3210 60 0 0 0 66 64 H29 H_ALI 0 0.0000 2.6730 -1.0570 3.1130 59 0 0 0 65 65 Q7 PSEUD 0 0.0000 2.9230 0.4380 1.6135 0 0 0 0 67 66 Q8 PSEUD 0 0.0000 4.9605 -0.6960 0.8235 0 0 0 0 67 67 QQB PSEUD 0 0.0000 3.9418 -0.1290 1.2185 0 0 0 0 0 68 H231 H_ALI 0 0.0000 1.6990 2.2770 2.1190 53 0 0 0 70 69 H232 H_ALI 0 0.0000 1.3300 0.8840 3.1640 53 0 0 0 70 70 Q3 PSEUD 0 0.0000 1.5145 1.5805 2.6415 0 0 0 0 0 71 C04 C_ALI 0 0.0000 -0.3300 -0.3640 1.5120 4 52 72 73 0 72 H04 H_ALI 0 0.0000 -1.3680 -0.2000 1.2240 71 0 0 0 0 73 C41 C_ALI 0 0.0000 -0.2700 -0.7070 3.0010 71 74 89 90 0 74 O16 O_EST 0 0.0000 -0.9030 0.3290 3.7550 73 75 0 0 0 75 C17 C_ARO 0 0.0000 -0.7960 -0.0160 5.0650 74 76 80 0 0 76 C18 C_ARO 0 0.0000 -1.3870 0.7720 6.0410 75 77 79 0 0 77 C19 C_ARO 0 0.0000 -1.2770 0.4190 7.3720 76 78 82 0 0 78 H19 H_ALI 0 0.0000 -1.7360 1.0330 8.1330 77 0 0 0 87 79 H18 H_ALI 0 0.0000 -1.9320 1.6610 5.7610 76 0 0 0 86 80 C22 C_ARO 0 0.0000 -0.1010 -1.1600 5.4270 75 81 85 0 0 81 C21 C_ARO 0 0.0000 0.0100 -1.5060 6.7600 80 82 84 0 0 82 C20 C_ARO 0 0.0000 -0.5790 -0.7180 7.7320 77 81 83 0 0 83 H20 H_ALI 0 0.0000 -0.4940 -0.9920 8.7730 82 0 0 0 0 84 H21 H_ALI 0 0.0000 0.5560 -2.3940 7.0430 81 0 0 0 87 85 H22 H_ALI 0 0.0000 0.3590 -1.7760 4.6690 80 0 0 0 86 86 Q11 PSEUD 0 0.0000 -0.7865 -0.0575 5.2150 0 0 0 0 88 87 Q12 PSEUD 0 0.0000 -0.5900 -0.6805 7.5880 0 0 0 0 88 88 QQD PSEUD 0 0.0000 -0.6883 -0.3690 6.4015 0 0 0 0 0 89 H411 H_ALI 0 0.0000 -0.7860 -1.6510 3.1780 73 0 0 0 91 90 H412 H_ALI 0 0.0000 0.7700 -0.7980 3.3120 73 0 0 0 91 91 Q4 PSEUD 0 0.0000 -0.0080 -1.2245 3.2450 0 0 0 0 0