REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = 4-METHYLBENZYL-N-BIS[DAUNOMYCIN] RESIDUE BDA 38 169 1 169 1 CHI1 0 0 0.0000 3 4 5 6 10 2 CHI2 0 0 0.0000 4 5 6 7 10 3 CHI3 0 0 0.0000 19 20 25 26 26 4 CHI4 0 0 0.0000 19 20 27 28 33 5 CHI5 0 0 0.0000 20 27 29 30 33 6 CHI6 0 0 0.0000 16 17 37 38 38 7 CHI7 0 0 0.0000 43 44 45 46 46 8 PHI1 0 0 0.0000 21 48 50 51 0 9 PHI2 0 0 0.0000 48 50 51 65 0 10 CHI8 0 0 0.0000 50 51 52 53 63 11 CHI9 0 0 0.0000 51 52 53 54 63 12 CHI10 0 0 0.0000 52 53 54 55 57 13 CHI11 0 0 0.0000 53 54 55 56 56 14 CHI12 0 0 0.0000 52 53 58 59 62 15 PHI3 0 0 0.0000 50 51 65 69 0 16 PHI4 0 0 0.0000 51 65 69 71 0 17 PHI5 0 0 0.0000 65 69 71 75 0 18 PHI6 0 0 0.0000 69 71 75 79 0 19 PHI7 0 0 0.0000 71 75 79 163 0 20 CHI13 0 0 0.0000 81 82 83 84 160 21 CHI14 0 0 0.0000 82 83 84 85 157 22 CHI15 0 0 0.0000 83 84 85 86 154 23 CHI16 0 0 0.0000 84 85 86 87 149 24 CHI17 0 0 0.0000 85 86 87 88 146 25 CHI18 0 0 0.0000 86 87 88 89 137 26 CHI19 0 0 0.0000 87 88 89 90 137 27 CHI20 0 0 0.0000 94 95 98 99 103 28 CHI21 0 0 0.0000 95 98 99 100 103 29 CHI22 0 0 0.0000 90 91 105 106 106 30 CHI23 0 0 0.0000 107 108 109 110 110 31 CHI24 0 0 0.0000 119 120 121 122 122 32 CHI25 0 0 0.0000 119 120 123 124 129 33 CHI26 0 0 0.0000 120 123 125 126 129 34 CHI27 0 0 0.0000 86 87 138 139 145 35 CHI28 0 0 0.0000 87 138 139 140 145 36 CHI29 0 0 0.0000 138 139 140 141 144 37 CHI30 0 0 0.0000 84 85 150 151 153 38 CHI31 0 0 0.0000 85 150 151 152 152 1 C1 C_ARO 0 0.0000 -5.1240 0.7660 11.2210 2 13 14 0 0 2 C2 C_ARO 0 0.0000 -6.2930 0.5340 10.5120 1 3 12 0 0 3 C3 C_ARO 0 0.0000 -6.2570 -0.0990 9.2870 2 4 11 0 0 4 C4 C_ARO 0 0.0000 -5.0440 -0.5140 8.7440 3 5 40 0 0 5 O4 O_EST 0 0.0000 -5.0140 -1.1360 7.5390 4 6 0 0 0 6 C21 C_ALI 0 0.0000 -6.3660 -1.2180 7.0820 5 7 8 9 0 7 H211 H_ALI 0 0.0000 -6.3920 -1.7130 6.1120 6 0 0 0 10 8 H212 H_ALI 0 0.0000 -6.9570 -1.7890 7.7980 6 0 0 0 10 9 H213 H_ALI 0 0.0000 -6.7790 -0.2130 6.9890 6 0 0 0 10 10 Q1 PSEUD 0 0.0000 -6.7093 -1.2383 6.9663 0 0 0 0 0 11 H3 H_ALI 0 0.0000 -7.1750 -0.2730 8.7450 3 0 0 0 0 12 H2 H_ALI 0 0.0000 -7.2400 0.8520 10.9230 2 0 0 0 0 13 H1 H_ALI 0 0.0000 -5.1630 1.2620 12.1790 1 0 0 0 0 14 C20 C_ARO 0 0.0000 -3.9030 0.3590 10.6970 1 15 40 0 0 15 C19 C_BYL 0 0.0000 -2.6470 0.5990 11.4410 14 16 39 0 0 16 C18 C_ARO 0 0.0000 -1.3580 0.4440 10.7430 15 17 43 0 0 17 C17 C_ARO 0 0.0000 -0.1790 0.9290 11.3030 16 18 37 0 0 18 C16 C_ARO 0 0.0000 1.0410 0.7780 10.6310 17 19 47 0 0 19 C15 C_ALI 0 0.0000 2.2710 1.3360 11.2980 18 20 34 35 0 20 C12 C_ALI 0 0.0000 3.5350 0.7340 10.6880 19 21 25 27 0 21 C11 C_ALI 0 0.0000 3.4530 0.8820 9.1640 20 22 23 48 0 22 H111 H_ALI 0 0.0000 4.4110 0.6150 8.7170 21 0 0 0 24 23 H112 H_ALI 0 0.0000 3.2010 1.9110 8.9080 21 0 0 0 24 24 Q2 PSEUD 0 0.0000 3.8060 1.2630 8.8125 0 0 0 0 0 25 O12 O_HYD 0 0.0000 4.6840 1.4280 11.1780 20 26 0 0 0 26 H12 H_OXY 0 0.0000 4.6950 1.3080 12.1370 25 0 0 0 0 27 C13 C_BYL 0 0.0000 3.6300 -0.7240 11.0520 20 28 29 0 0 28 O13 O_BYL 0 0.0000 2.6290 -1.3490 11.3100 27 0 0 0 0 29 C14 C_ALI 0 0.0000 4.9740 -1.4050 11.0940 27 30 31 32 0 30 H141 H_ALI 0 0.0000 4.8430 -2.4500 11.3750 29 0 0 0 33 31 H142 H_ALI 0 0.0000 5.4410 -1.3480 10.1110 29 0 0 0 33 32 H143 H_ALI 0 0.0000 5.6090 -0.9090 11.8280 29 0 0 0 33 33 Q3 PSEUD 0 0.0000 5.2977 -1.5690 11.1047 0 0 0 0 0 34 H151 H_ALI 0 0.0000 2.2400 1.1040 12.3620 19 0 0 0 36 35 H152 H_ALI 0 0.0000 2.2910 2.4180 11.1680 19 0 0 0 36 36 Q4 PSEUD 0 0.0000 2.2655 1.7610 11.7650 0 0 0 0 0 37 O17 O_HYD 0 0.0000 -0.2120 1.5530 12.5070 17 38 0 0 0 38 H17 H_OXY 0 0.0000 -0.3520 2.4930 12.3300 37 0 0 0 0 39 O19 O_BYL 0 0.0000 -2.6780 0.9190 12.6140 15 0 0 0 0 40 C5 C_ARO 0 0.0000 -3.8590 -0.2870 9.4470 4 14 41 0 0 41 C6 C_BYL 0 0.0000 -2.5610 -0.7170 8.8910 40 42 43 0 0 42 O6 O_BYL 0 0.0000 -2.5190 -1.4860 7.9500 41 0 0 0 0 43 C7 C_ARO 0 0.0000 -1.3150 -0.2030 9.4910 16 41 44 0 0 44 C8 C_ARO 0 0.0000 -0.0950 -0.3480 8.8370 43 45 47 0 0 45 O8 O_HYD 0 0.0000 -0.0460 -0.9710 7.6340 44 46 0 0 0 46 HO8 H_OXY 0 0.0000 -0.1240 -0.2830 6.9590 45 0 0 0 0 47 C9 C_ARO 0 0.0000 1.0830 0.1450 9.4150 18 44 48 0 0 48 C10 C_ALI 0 0.0000 2.3650 -0.0560 8.6490 21 47 49 50 0 49 H10 H_ALI 0 0.0000 2.6950 -1.0880 8.7680 48 0 0 0 0 50 O10 O_EST 0 0.0000 2.1330 0.2060 7.2640 48 51 0 0 0 51 C1' C_ALI 0 0.0000 2.5930 -0.9380 6.5430 50 52 64 65 0 52 O5' O_EST 0 0.0000 4.0200 -0.9500 6.5360 51 53 0 0 0 53 C5' C_ALI 0 0.0000 4.4600 0.3210 6.0640 52 54 58 63 0 54 C4' C_ALI 0 0.0000 4.0880 0.4870 4.5880 53 55 57 69 0 55 O4' O_HYD 0 0.0000 4.6890 -0.5590 3.8230 54 56 0 0 0 56 HO4' H_OXY 0 0.0000 5.6450 -0.4820 3.9460 55 0 0 0 0 57 H4' H_ALI 0 0.0000 4.4450 1.4520 4.2280 54 0 0 0 0 58 C6' C_ALI 0 0.0000 5.9790 0.4230 6.2180 53 59 60 61 0 59 H6'1 H_ALI 0 0.0000 6.2450 0.3140 7.2700 58 0 0 0 62 60 H6'2 H_ALI 0 0.0000 6.4570 -0.3650 5.6380 58 0 0 0 62 61 H6'3 H_ALI 0 0.0000 6.3160 1.3950 5.8570 58 0 0 0 62 62 Q5 PSEUD 0 0.0000 6.3393 0.4480 6.2550 0 0 0 0 0 63 H5' H_ALI 0 0.0000 3.9820 1.1090 6.6460 53 0 0 0 0 64 H1B H_ALI 0 0.0000 2.2260 -1.8430 7.0260 51 0 0 0 0 65 C2' C_ALI 0 0.0000 2.0690 -0.8790 5.1060 51 66 67 69 0 66 H2'1 H_ALI 0 0.0000 0.9790 -0.8900 5.1150 65 0 0 0 68 67 H2'2 H_ALI 0 0.0000 2.4390 -1.7390 4.5470 65 0 0 0 68 68 Q6 PSEUD 0 0.0000 1.7090 -1.3145 4.8310 0 0 0 0 0 69 C3' C_ALI 0 0.0000 2.5640 0.4120 4.4460 54 65 70 71 0 70 H3B H_ALI 0 0.0000 2.1080 1.2710 4.9380 69 0 0 0 0 71 N3' N_AMI 0 0.0000 2.2010 0.4090 3.0230 69 72 73 75 0 72 HN'1 H_AMI 0 0.0000 2.6230 -0.3870 2.5700 71 0 0 0 74 73 HN'2 H_AMI 0 0.0000 2.5320 1.2570 2.5890 71 0 0 0 74 74 Q7 PSEUD 0 0.0000 2.5775 0.4350 2.5795 0 0 0 0 0 75 C7' C_ALI 0 0.0000 0.7400 0.3290 2.8900 71 76 77 79 0 76 H7'1 H_ALI 0 0.0000 0.3820 -0.5870 3.3590 75 0 0 0 78 77 H7'2 H_ALI 0 0.0000 0.2830 1.1890 3.3800 75 0 0 0 78 78 Q8 PSEUD 0 0.0000 0.3325 0.3010 3.3695 0 0 0 0 0 79 C8' C_ARO 0 0.0000 0.3670 0.3260 1.4300 75 80 163 0 0 80 C9A C_ARO 0 0.0000 0.2630 -0.8700 0.7460 79 81 162 0 0 81 C1A C_ARO 0 0.0000 -0.0780 -0.8730 -0.5920 80 82 161 0 0 82 C8D C_ARO 0 0.0000 -0.3170 0.3190 -1.2480 81 83 165 0 0 83 C7D C_ALI 0 0.0000 -0.6900 0.3160 -2.7080 82 84 158 159 0 84 N3D N_AMO 0 0.0000 -2.1500 0.2350 -2.8400 83 85 155 156 0 85 C3D C_ALI 0 0.0000 -2.5140 0.2320 -4.2630 84 86 150 154 0 86 C2D C_ALI 0 0.0000 -1.8730 -0.9750 -4.9550 85 87 147 148 0 87 C1D C_ALI 0 0.0000 -2.3860 -1.0560 -6.3940 86 88 138 146 0 88 OA' O_EST 0 0.0000 -2.0590 0.1510 -7.0840 87 89 0 0 0 89 CA' C_ALI 0 0.0000 -2.3170 -0.0810 -8.4700 88 90 119 137 0 90 C9' C_ARO 0 0.0000 -1.0890 0.2740 -9.2690 89 91 107 0 0 91 C8B C_ARO 0 0.0000 0.1510 -0.1220 -8.7520 90 92 105 0 0 92 C7B C_ARO 0 0.0000 1.3260 0.1660 -9.4400 91 93 111 0 0 93 C6B C_BYL 0 0.0000 2.6370 -0.2500 -8.9070 92 94 104 0 0 94 C5B C_ARO 0 0.0000 3.8170 -0.2130 -9.7910 93 95 114 0 0 95 C4B C_ARO 0 0.0000 5.0030 -0.8540 -9.4220 94 96 98 0 0 96 C3B C_ARO 0 0.0000 6.1050 -0.8030 -10.2700 95 97 116 0 0 97 H3' H_ALI 0 0.0000 7.0220 -1.3010 -9.9900 96 0 0 0 0 98 O4B O_EST 0 0.0000 5.0770 -1.5270 -8.2470 95 99 0 0 0 99 CL' C_ALI 0 0.0000 6.3970 -2.0680 -8.1640 98 100 101 102 0 100 HI'1 H_ALI 0 0.0000 6.5050 -2.6210 -7.2310 99 0 0 0 103 101 HI'2 H_ALI 0 0.0000 6.5680 -2.7390 -9.0050 99 0 0 0 103 102 HI'3 H_ALI 0 0.0000 7.1250 -1.2570 -8.1920 99 0 0 0 103 103 Q9 PSEUD 0 0.0000 6.7327 -2.2057 -8.1427 0 0 0 0 0 104 O6' O_BYL 0 0.0000 2.7420 -0.6240 -7.7540 93 0 0 0 0 105 O8' O_HYD 0 0.0000 0.2070 -0.7910 -7.5740 91 106 0 0 0 106 HO8' H_OXY 0 0.0000 0.2250 -1.7340 -7.7890 105 0 0 0 0 107 CG' C_ARO 0 0.0000 -1.1540 0.9570 -10.4570 90 108 130 0 0 108 CH' C_ARO 0 0.0000 0.0200 1.2550 -11.1620 107 109 111 0 0 109 OH' O_HYD 0 0.0000 -0.0510 1.9280 -12.3370 108 110 0 0 0 110 H17' H_OXY 0 0.0000 -0.1360 1.2640 -13.0350 109 0 0 0 0 111 CI' C_ARO 0 0.0000 1.2600 0.8640 -10.6640 92 108 112 0 0 112 CJ' C_BYL 0 0.0000 2.5010 1.1700 -11.3980 111 113 114 0 0 113 OJ' O_BYL 0 0.0000 2.4940 1.9730 -12.3110 112 0 0 0 0 114 CK' C_ARO 0 0.0000 3.7540 0.4870 -11.0110 94 112 115 0 0 115 C1B C_ARO 0 0.0000 4.8670 0.5250 -11.8420 114 116 118 0 0 116 C2B C_ARO 0 0.0000 6.0350 -0.1190 -11.4670 96 115 117 0 0 117 H2' H_ALI 0 0.0000 6.8970 -0.0860 -12.1160 116 0 0 0 0 118 H1' H_ALI 0 0.0000 4.8230 1.0590 -12.7800 115 0 0 0 0 119 CB' C_ALI 0 0.0000 -3.5100 0.7640 -8.9090 89 120 134 135 0 120 CC' C_ALI 0 0.0000 -3.6330 0.6700 -10.4350 119 121 123 130 0 121 OC' O_HYD 0 0.0000 -4.8610 1.2650 -10.8570 120 122 0 0 0 122 H12' H_OXY 0 0.0000 -4.8870 1.2000 -11.8210 121 0 0 0 0 123 CD' C_BYL 0 0.0000 -3.5960 -0.7750 -10.8590 120 124 125 0 0 124 OD' O_BYL 0 0.0000 -2.5500 -1.2820 -11.1860 123 0 0 0 0 125 CE' C_ALI 0 0.0000 -4.8660 -1.5870 -10.8770 123 126 127 128 0 126 HK'1 H_ALI 0 0.0000 -4.6430 -2.6010 -11.2090 125 0 0 0 129 127 HK'2 H_ALI 0 0.0000 -5.2920 -1.6180 -9.8750 125 0 0 0 129 128 HK'3 H_ALI 0 0.0000 -5.5800 -1.1290 -11.5620 125 0 0 0 129 129 Q10 PSEUD 0 0.0000 -5.1717 -1.7827 -10.8820 0 0 0 0 0 130 CF' C_ALI 0 0.0000 -2.4570 1.4190 -11.0580 107 120 131 132 0 131 HJ'1 H_ALI 0 0.0000 -2.5760 2.4880 -10.8780 130 0 0 0 133 132 HJ'2 H_ALI 0 0.0000 -2.4430 1.2350 -12.1320 130 0 0 0 133 133 Q11 PSEUD 0 0.0000 -2.5095 1.8615 -11.5050 0 0 0 0 0 134 HL'1 H_ALI 0 0.0000 -3.3510 1.8020 -8.6170 119 0 0 0 136 135 HL'2 H_ALI 0 0.0000 -4.4200 0.3860 -8.4430 119 0 0 0 136 136 Q12 PSEUD 0 0.0000 -3.8855 1.0940 -8.5300 0 0 0 0 0 137 H10' H_ALI 0 0.0000 -2.5490 -1.1350 -8.6200 89 0 0 0 0 138 O5D O_EST 0 0.0000 -3.8020 -1.2330 -6.3920 87 139 0 0 0 139 C5D C_ALI 0 0.0000 -4.3860 -0.0340 -5.8890 138 140 145 150 0 140 C6D C_ALI 0 0.0000 -5.9060 -0.1050 -6.0480 139 141 142 143 0 141 H6B H_ALI 0 0.0000 -6.3550 0.8120 -5.6680 140 0 0 0 144 142 H6D H_ALI 0 0.0000 -6.1560 -0.2220 -7.1020 140 0 0 0 144 143 H6E H_ALI 0 0.0000 -6.2910 -0.9570 -5.4870 140 0 0 0 144 144 Q13 PSEUD 0 0.0000 -6.2673 -0.1223 -6.0857 0 0 0 0 0 145 H5D H_ALI 0 0.0000 -4.0030 0.8180 -6.4490 139 0 0 0 0 146 H1D H_ALI 0 0.0000 -1.9170 -1.9000 -6.9000 87 0 0 0 0 147 H2B H_ALI 0 0.0000 -2.1410 -1.8870 -4.4200 86 0 0 0 149 148 H2D H_ALI 0 0.0000 -0.7890 -0.8600 -4.9600 86 0 0 0 149 149 Q14 PSEUD 0 0.0000 -1.4650 -1.3735 -4.6900 0 0 0 0 0 150 C4D C_ALI 0 0.0000 -4.0370 0.1290 -4.4080 85 139 151 153 0 151 O4D O_HYD 0 0.0000 -4.5120 -1.0000 -3.6750 150 152 0 0 0 152 HO4A H_OXY 0 0.0000 -5.4710 -1.0270 -3.7930 151 0 0 0 0 153 H4D H_ALI 0 0.0000 -4.5020 1.0360 -4.0220 150 0 0 0 0 154 H3D H_ALI 0 0.0000 -2.1630 1.1510 -4.7320 85 0 0 0 0 155 HNB H_AMI 0 0.0000 -2.5740 1.0310 -2.3860 84 0 0 0 157 156 HND H_AMI 0 0.0000 -2.4810 -0.6130 -2.4060 84 0 0 0 157 157 Q15 PSEUD 0 0.0000 -2.5275 0.2090 -2.3960 0 0 0 0 0 158 H7B H_ALI 0 0.0000 -0.2330 -0.5430 -3.1980 83 0 0 0 160 159 H7D H_ALI 0 0.0000 -0.3330 1.2330 -3.1760 83 0 0 0 160 160 Q16 PSEUD 0 0.0000 -0.2830 0.3450 -3.1870 0 0 0 0 0 161 H9A' H_ALI 0 0.0000 -0.1600 -1.8080 -1.1270 81 0 0 0 168 162 H9A H_ALI 0 0.0000 0.4480 -1.8030 1.2580 80 0 0 0 167 163 C9B C_ARO 0 0.0000 0.1300 1.5190 0.7740 79 164 165 0 0 164 H9B H_ALI 0 0.0000 0.2120 2.4540 1.3090 163 0 0 0 167 165 C1C C_ARO 0 0.0000 -0.2070 1.5160 -0.5650 82 163 166 0 0 166 H9B' H_ALI 0 0.0000 -0.3920 2.4490 -1.0770 165 0 0 0 168 167 Q17 PSEUD 0 0.0000 0.3300 0.3255 1.2835 0 0 0 0 169 168 Q18 PSEUD 0 0.0000 -0.2760 0.3205 -1.1020 0 0 0 0 169 169 QQA PSEUD 0 0.0000 0.0270 0.3230 0.0907 0 0 0 0 0