REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-1-YL]-PROPYL}-3-(2-THIOPHEN-2-YL-ACETYLAMINO)-5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YLOXY)-BENZAMIDE RESIDUE J12 31 99 1 99 1 CHI1 0 0 0.0000 10 1 2 3 9 2 CHI2 0 0 0.0000 1 2 3 4 4 3 CHI3 0 0 0.0000 1 2 5 6 8 4 CHI4 0 0 0.0000 2 5 6 7 7 5 CHI5 0 0 0.0000 2 1 10 11 22 6 CHI6 0 0 0.0000 1 10 11 12 22 7 CHI7 0 0 0.0000 10 11 12 13 15 8 CHI8 0 0 0.0000 11 12 13 14 14 9 CHI9 0 0 0.0000 10 11 16 17 21 10 CHI10 0 0 0.0000 11 16 17 18 18 11 PHI1 0 0 0.0000 2 1 24 25 0 12 PHI2 0 0 0.0000 1 24 25 81 0 13 CHI11 0 0 0.0000 26 27 30 31 79 14 CHI12 0 0 0.0000 27 30 32 33 79 15 CHI13 0 0 0.0000 30 32 33 34 78 16 CHI14 0 0 0.0000 32 33 34 35 75 17 CHI15 0 0 0.0000 33 34 35 36 72 18 CHI16 0 0 0.0000 34 35 36 37 69 19 CHI17 0 0 0.0000 35 36 37 38 61 20 CHI18 0 0 0.0000 36 37 38 39 58 21 CHI19 0 0 0.0000 37 38 39 40 55 22 CHI20 0 0 0.0000 38 39 40 41 55 23 CHI21 0 0 0.0000 39 40 41 42 52 24 CHI22 0 0 0.0000 40 41 42 43 49 25 CHI23 0 0 0.0000 41 42 43 44 46 26 CHI24 0 0 0.0000 35 36 62 63 69 27 CHI25 0 0 0.0000 36 62 63 64 66 28 PHI3 0 0 0.0000 28 83 84 86 0 29 PHI4 0 0 0.0000 83 84 86 88 0 30 PHI5 0 0 0.0000 84 86 88 92 0 31 PHI6 0 0 0.0000 86 88 92 97 0 1 C1 C_ALI 0 0.0000 -0.8670 -4.4110 -10.3200 2 10 23 24 0 2 C2 C_ALI 0 0.0000 -1.6640 -4.7300 -11.5880 1 3 5 9 0 3 O2 O_HYD 0 0.0000 -1.9110 -3.5240 -12.3040 2 4 0 0 0 4 HO2 H_OXY 0 0.0000 -1.1770 -2.9240 -12.0980 3 0 0 0 0 5 C3 C_ALI 0 0.0000 -2.9830 -5.4180 -11.2360 2 6 8 12 0 6 O3 O_HYD 0 0.0000 -3.6360 -5.8220 -12.4360 5 7 0 0 0 7 HO3 H_OXY 0 0.0000 -3.3720 -5.1880 -13.1220 6 0 0 0 0 8 H3 H_ALI 0 0.0000 -3.6550 -4.7130 -10.7320 5 0 0 0 0 9 H2 H_ALI 0 0.0000 -1.0760 -5.3810 -12.2450 2 0 0 0 0 10 O5 O_EST 0 0.0000 -0.6580 -5.5980 -9.5500 1 11 0 0 0 11 C5 C_ALI 0 0.0000 -1.8760 -6.2340 -9.1310 10 12 16 22 0 12 C4 C_ALI 0 0.0000 -2.7240 -6.6350 -10.3450 5 11 13 15 0 13 O4 O_HYD 0 0.0000 -2.0200 -7.6320 -11.0910 12 14 0 0 0 14 HO4 H_OXY 0 0.0000 -1.3700 -7.1590 -11.6310 13 0 0 0 0 15 H4 H_ALI 0 0.0000 -3.6710 -7.0870 -10.0320 12 0 0 0 0 16 C6 C_ALI 0 0.0000 -1.4860 -7.4330 -8.2730 11 17 19 20 0 17 O6 O_HYD 0 0.0000 -0.7010 -6.9750 -7.1870 16 18 0 0 0 18 HO6 H_OXY 0 0.0000 -0.4380 -6.0610 -7.3910 17 0 0 0 0 19 H61 H_ALI 0 0.0000 -0.9050 -8.1420 -8.8630 16 0 0 0 21 20 H62 H_ALI 0 0.0000 -2.3810 -7.9230 -7.8880 16 0 0 0 21 21 Q1 PSEUD 0 0.0000 -1.6430 -8.0325 -8.3755 0 0 0 0 0 22 H5 H_ALI 0 0.0000 -2.4360 -5.5370 -8.4970 11 0 0 0 0 23 H1 H_ALI 0 0.0000 0.1140 -4.0080 -10.5910 1 0 0 0 0 24 O1 O_EST 0 0.0000 -1.5280 -3.3970 -9.5650 1 25 0 0 0 25 C7 C_ARO 0 0.0000 -0.7310 -2.5600 -8.8330 24 26 81 0 0 26 C12 C_ARO 0 0.0000 0.0950 -3.0840 -7.8430 25 27 80 0 0 27 C11 C_ARO 0 0.0000 0.9070 -2.2310 -7.0960 26 28 30 0 0 28 C10 C_ARO 0 0.0000 0.8900 -0.8580 -7.3430 27 29 83 0 0 29 H10 H_ALI 0 0.0000 1.5230 -0.1930 -6.7600 28 0 0 0 0 30 C13 C_BYL 0 0.0000 1.7720 -2.7730 -6.0600 27 31 32 0 0 31 O17 O_BYL 0 0.0000 2.8080 -2.1720 -5.7250 30 0 0 0 0 32 N18 N_AMO 0 0.0000 1.3690 -3.9710 -5.4580 30 33 79 0 0 33 C19 C_ALI 0 0.0000 2.1080 -4.6210 -4.3990 32 34 76 77 0 34 C20 C_ALI 0 0.0000 3.1400 -5.6130 -4.9290 33 35 73 74 0 35 C21 C_ALI 0 0.0000 2.5360 -6.7570 -5.7400 34 36 70 71 0 36 N22 N_AMO 0 0.0000 3.5500 -7.6740 -6.2590 35 37 62 0 0 37 C23 C_ALI 0 0.0000 4.2630 -8.3380 -5.1620 36 38 59 60 0 38 C24 C_ALI 0 0.0000 5.3250 -9.3010 -5.7040 37 39 56 57 0 39 N25 N_AMO 0 0.0000 4.7210 -10.2950 -6.6000 38 40 63 0 0 40 C28 C_ALI 0 0.0000 5.7360 -11.2090 -7.1200 39 41 53 54 0 41 C35 C_ALI 0 0.0000 6.3970 -12.0370 -6.0200 40 42 50 51 0 42 C36 C_ALI 0 0.0000 5.4170 -12.8890 -5.2160 41 43 47 48 0 43 N37 N_AMO 0 0.0000 6.0700 -13.6740 -4.2050 42 44 45 0 0 44 H371 H_AMI 0 0.0000 6.1360 -13.3120 -3.2660 43 0 0 0 46 45 H372 H_AMI 0 0.0000 6.6250 -14.4690 -4.4810 43 0 0 0 46 46 Q2 PSEUD 0 0.0000 6.3805 -13.8905 -3.8735 0 0 0 0 0 47 H361 H_ALI 0 0.0000 4.9020 -13.5900 -5.8790 42 0 0 0 49 48 H362 H_ALI 0 0.0000 4.6600 -12.2710 -4.7230 42 0 0 0 49 49 Q3 PSEUD 0 0.0000 4.7810 -12.9305 -5.3010 0 0 0 0 0 50 H351 H_ALI 0 0.0000 6.9280 -11.3580 -5.3430 41 0 0 0 52 51 H352 H_ALI 0 0.0000 7.1490 -12.6990 -6.4680 41 0 0 0 52 52 Q4 PSEUD 0 0.0000 7.0385 -12.0285 -5.9055 0 0 0 0 0 53 H281 H_ALI 0 0.0000 6.4710 -10.6150 -7.6720 40 0 0 0 55 54 H282 H_ALI 0 0.0000 5.2320 -11.8700 -7.8320 40 0 0 0 55 55 Q5 PSEUD 0 0.0000 5.8515 -11.2425 -7.7520 0 0 0 0 0 56 H241 H_ALI 0 0.0000 6.1080 -8.7330 -6.2250 38 0 0 0 58 57 H242 H_ALI 0 0.0000 5.8000 -9.8100 -4.8570 38 0 0 0 58 58 Q6 PSEUD 0 0.0000 5.9540 -9.2715 -5.5410 0 0 0 0 0 59 H231 H_ALI 0 0.0000 3.5610 -8.8850 -4.5160 37 0 0 0 61 60 H232 H_ALI 0 0.0000 4.7610 -7.5860 -4.5380 37 0 0 0 61 61 Q7 PSEUD 0 0.0000 4.1610 -8.2355 -4.5270 0 0 0 0 0 62 C27 C_ALI 0 0.0000 2.9450 -8.6680 -7.1530 36 63 67 68 0 63 C26 C_ALI 0 0.0000 4.0070 -9.6300 -7.6970 39 62 64 65 0 64 H261 H_ALI 0 0.0000 3.5090 -10.3830 -8.3200 63 0 0 0 66 65 H262 H_ALI 0 0.0000 4.7080 -9.0830 -8.3430 63 0 0 0 66 66 Q8 PSEUD 0 0.0000 4.1085 -9.7330 -8.3315 0 0 0 0 0 67 H271 H_ALI 0 0.0000 2.4700 -8.1590 -8.0010 62 0 0 0 69 68 H272 H_ALI 0 0.0000 2.1620 -9.2360 -6.6310 62 0 0 0 69 69 Q9 PSEUD 0 0.0000 2.3160 -8.6975 -7.3160 0 0 0 0 0 70 H211 H_ALI 0 0.0000 1.8300 -7.3430 -5.1440 35 0 0 0 72 71 H212 H_ALI 0 0.0000 1.9970 -6.3570 -6.6050 35 0 0 0 72 72 Q10 PSEUD 0 0.0000 1.9135 -6.8500 -5.8745 0 0 0 0 0 73 H201 H_ALI 0 0.0000 3.8640 -5.0820 -5.5590 34 0 0 0 75 74 H202 H_ALI 0 0.0000 3.6960 -6.0260 -4.0780 34 0 0 0 75 75 Q11 PSEUD 0 0.0000 3.7800 -5.5540 -4.8185 0 0 0 0 0 76 H191 H_ALI 0 0.0000 2.6080 -3.8310 -3.8300 33 0 0 0 78 77 H192 H_ALI 0 0.0000 1.3850 -5.1080 -3.7380 33 0 0 0 78 78 Q12 PSEUD 0 0.0000 1.9965 -4.4695 -3.7840 0 0 0 0 0 79 H18 H_AMI 0 0.0000 0.4830 -4.3860 -5.7250 32 0 0 0 0 80 H12 H_ALI 0 0.0000 0.1040 -4.1550 -7.6550 26 0 0 0 0 81 C8 C_ARO 0 0.0000 -0.7520 -1.1920 -9.0840 25 82 83 0 0 82 H8 H_ALI 0 0.0000 -1.4010 -0.7910 -9.8600 81 0 0 0 0 83 C9 C_ARO 0 0.0000 0.0600 -0.3390 -8.3370 28 81 84 0 0 84 N40 N_AMI 0 0.0000 0.0440 1.0340 -8.5850 83 85 86 0 0 85 H40 H_AMI 0 0.0000 0.6670 1.6030 -8.0000 84 0 0 0 0 86 C41 C_BYL 0 0.0000 -0.7170 1.7360 -9.5350 84 87 88 0 0 87 O44 O_BYL 0 0.0000 -1.5170 1.2560 -10.3310 86 0 0 0 0 88 C42 C_ALI 0 0.0000 -0.4300 3.2280 -9.4710 86 89 90 92 0 89 H421 H_ALI 0 0.0000 0.3990 3.4550 -10.1540 88 0 0 0 91 90 H422 H_ALI 0 0.0000 -0.0810 3.4780 -8.4610 88 0 0 0 91 91 Q13 PSEUD 0 0.0000 0.1590 3.4665 -9.3075 0 0 0 0 0 92 C43 C_ARO 0 0.0000 -1.6200 4.0830 -9.8180 88 93 97 0 0 93 C44 C_ARO 0 0.0000 -2.8370 4.0990 -9.2090 92 94 96 0 0 94 C45 C_ARO 0 0.0000 -3.7080 5.0440 -9.8230 93 95 98 0 0 95 H45 H_ALI 0 0.0000 -4.7260 5.2330 -9.5100 94 0 0 0 0 96 H44 H_ALI 0 0.0000 -3.1090 3.4740 -8.3670 93 0 0 0 0 97 S S_RED 0 0.0000 -1.4900 5.1750 -11.1130 92 98 0 0 0 98 C46 C_ARO 0 0.0000 -3.1020 5.7000 -10.8720 94 97 99 0 0 99 H46 H_ALI 0 0.0000 -3.5300 6.4630 -11.5070 98 0 0 0 0