REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = BETA-1,2,3,4,6-PENTA-O-GALLOYL-D-GLUCOPYRANOSE
RESIDUE GGP 36 100 1 100
1 CHI1 0 0 0.0000 41 1 2 3 40
2 CHI2 0 0 0.0000 1 2 3 4 40
3 CHI3 0 0 0.0000 2 3 4 5 22
4 CHI4 0 0 0.0000 3 4 5 6 21
5 CHI5 0 0 0.0000 4 5 6 7 21
6 CHI6 0 0 0.0000 5 6 8 9 21
7 CHI7 0 0 0.0000 9 10 11 12 12
8 CHI8 0 0 0.0000 10 16 17 18 18
9 CHI9 0 0 0.0000 14 15 19 20 20
10 CHI10 0 0 0.0000 2 3 23 24 39
11 CHI11 0 0 0.0000 3 23 24 25 39
12 CHI12 0 0 0.0000 23 24 26 27 39
13 CHI13 0 0 0.0000 27 28 29 30 30
14 CHI14 0 0 0.0000 28 34 35 36 36
15 CHI15 0 0 0.0000 32 33 37 38 38
16 CHI16 0 0 0.0000 2 1 41 42 61
17 CHI17 0 0 0.0000 1 41 42 43 58
18 CHI18 0 0 0.0000 41 42 43 44 58
19 CHI19 0 0 0.0000 42 43 45 46 58
20 CHI20 0 0 0.0000 46 47 48 49 49
21 CHI21 0 0 0.0000 47 53 54 55 55
22 CHI22 0 0 0.0000 51 52 56 57 57
23 PHI1 0 0 0.0000 2 1 63 82 0
24 CHI23 0 0 0.0000 1 63 64 65 80
25 CHI24 0 0 0.0000 63 64 65 66 80
26 CHI25 0 0 0.0000 64 65 67 68 80
27 CHI26 0 0 0.0000 68 69 70 71 71
28 CHI27 0 0 0.0000 69 75 76 77 77
29 CHI28 0 0 0.0000 73 74 78 79 79
30 PHI2 0 0 0.0000 1 63 82 84 0
31 PHI3 0 0 0.0000 63 82 84 85 0
32 PHI4 0 0 0.0000 82 84 85 87 0
33 PHI5 0 0 0.0000 84 85 87 99 0
34 CHI29 0 0 0.0000 88 89 90 91 91
35 CHI30 0 0 0.0000 89 92 93 94 94
36 CHI31 0 0 0.0000 92 95 96 97 97
1 C1 C_ALI 0 0.0000 -0.0170 -0.5480 1.7340 2 41 62 63 0
2 O6 O_EST 0 0.0000 -0.3420 0.8340 1.6150 1 3 0 0 0
3 C5 C_ALI 0 0.0000 -0.5860 1.1030 0.2360 2 4 23 40 0
4 C4 C_ALI 0 0.0000 -1.8610 0.3870 -0.2140 3 5 22 82 0
5 O44 O_EST 0 0.0000 -2.1200 0.6870 -1.6110 4 6 0 0 0
6 C45 C_BYL 0 0.0000 -2.8730 1.7540 -1.9420 5 7 8 0 0
7 O46 O_BYL 0 0.0000 -3.3360 2.4650 -1.0720 6 0 0 0 0
8 C47 C_ARO 0 0.0000 -3.1350 2.0590 -3.3610 6 9 14 0 0
9 C48 C_ARO 0 0.0000 -3.9160 3.1650 -3.7070 8 10 13 0 0
10 C49 C_ARO 0 0.0000 -4.1610 3.4480 -5.0370 9 11 16 0 0
11 O50 O_HYD 0 0.0000 -4.9200 4.5250 -5.3740 10 12 0 0 0
12 H50 H_OXY 0 0.0000 -4.3160 5.2740 -5.4700 11 0 0 0 0
13 H48 H_ALI 0 0.0000 -4.3290 3.7980 -2.9350 9 0 0 0 0
14 C55 C_ARO 0 0.0000 -2.5990 1.2450 -4.3630 8 15 21 0 0
15 C53 C_ARO 0 0.0000 -2.8510 1.5300 -5.6920 14 16 19 0 0
16 C51 C_ARO 0 0.0000 -3.6300 2.6330 -6.0330 10 15 17 0 0
17 O52 O_HYD 0 0.0000 -3.8720 2.9140 -7.3400 16 18 0 0 0
18 H52 H_OXY 0 0.0000 -3.1620 3.4990 -7.6360 17 0 0 0 0
19 O54 O_HYD 0 0.0000 -2.3330 0.7360 -6.6670 15 20 0 0 0
20 H54 H_OXY 0 0.0000 -1.4670 1.1010 -6.8940 19 0 0 0 0
21 H55 H_ALI 0 0.0000 -1.9950 0.3900 -4.0990 14 0 0 0 0
22 HC4 H_ALI 0 0.0000 -2.7020 0.7230 0.3920 4 0 0 0 0
23 O7 O_EST 0 0.0000 0.5360 0.6300 -0.5530 3 24 0 0 0
24 C8 C_BYL 0 0.0000 0.9570 1.3400 -1.6180 23 25 26 0 0
25 O9 O_BYL 0 0.0000 0.3250 2.3080 -1.9920 24 0 0 0 0
26 C10 C_ARO 0 0.0000 2.1860 0.9410 -2.3300 24 27 32 0 0
27 C11 C_ARO 0 0.0000 2.5470 1.5850 -3.5170 26 28 31 0 0
28 C12 C_ARO 0 0.0000 3.6990 1.2100 -4.1820 27 29 34 0 0
29 O13 O_HYD 0 0.0000 4.0520 1.8370 -5.3360 28 30 0 0 0
30 H13 H_OXY 0 0.0000 4.6070 2.5880 -5.0880 29 0 0 0 0
31 H11 H_ALI 0 0.0000 1.9270 2.3750 -3.9130 27 0 0 0 0
32 C18 C_ARO 0 0.0000 2.9940 -0.0760 -1.8170 26 33 39 0 0
33 C16 C_ARO 0 0.0000 4.1420 -0.4510 -2.4890 32 34 37 0 0
34 C14 C_ARO 0 0.0000 4.4990 0.1910 -3.6710 28 33 35 0 0
35 O15 O_HYD 0 0.0000 5.6310 -0.1750 -4.3280 34 36 0 0 0
36 H15 H_OXY 0 0.0000 6.3470 0.3710 -3.9770 35 0 0 0 0
37 O17 O_HYD 0 0.0000 4.9260 -1.4450 -1.9930 33 38 0 0 0
38 H17 H_OXY 0 0.0000 5.6180 -1.0200 -1.4680 37 0 0 0 0
39 H18 H_ALI 0 0.0000 2.7170 -0.5750 -0.9000 32 0 0 0 0
40 HC5 H_ALI 0 0.0000 -0.7040 2.1770 0.0910 3 0 0 0 0
41 C30 C_ALI 0 0.0000 0.4380 -0.8420 3.1650 1 42 59 60 0
42 O31 O_EST 0 0.0000 1.6070 -0.0380 3.4750 41 43 0 0 0
43 C19 C_BYL 0 0.0000 2.1860 -0.1310 4.6890 42 44 45 0 0
44 O20 O_BYL 0 0.0000 1.7300 -0.8880 5.5230 43 0 0 0 0
45 C21 C_ARO 0 0.0000 3.3720 0.6850 5.0040 43 46 51 0 0
46 C22 C_ARO 0 0.0000 3.9740 0.5900 6.2620 45 47 50 0 0
47 C23 C_ARO 0 0.0000 5.0860 1.3560 6.5550 46 48 53 0 0
48 O24 O_HYD 0 0.0000 5.6720 1.2640 7.7790 47 49 0 0 0
49 H24 H_OXY 0 0.0000 6.3400 0.5680 7.7170 48 0 0 0 0
50 H22 H_ALI 0 0.0000 3.5700 -0.0820 7.0050 46 0 0 0 0
51 C29 C_ARO 0 0.0000 3.8980 1.5560 4.0450 45 52 58 0 0
52 C27 C_ARO 0 0.0000 5.0100 2.3200 4.3430 51 53 56 0 0
53 C25 C_ARO 0 0.0000 5.6040 2.2260 5.5990 47 52 54 0 0
54 O26 O_HYD 0 0.0000 6.6980 2.9790 5.8900 53 55 0 0 0
55 H26 H_OXY 0 0.0000 6.3740 3.8120 6.2600 54 0 0 0 0
56 O28 O_HYD 0 0.0000 5.5220 3.1670 3.4110 52 57 0 0 0
57 H28 H_OXY 0 0.0000 5.0790 4.0180 3.5330 56 0 0 0 0
58 H29 H_ALI 0 0.0000 3.4350 1.6310 3.0720 51 0 0 0 0
59 H301 H_ALI 0 0.0000 0.6900 -1.8990 3.2570 41 0 0 0 61
60 H302 H_ALI 0 0.0000 -0.3650 -0.5980 3.8600 41 0 0 0 61
61 Q1 PSEUD 0 0.0000 0.1625 -1.2485 3.5585 0 0 0 0 0
62 HC1 H_ALI 0 0.0000 0.7870 -0.7920 1.0400 1 0 0 0 0
63 C2 C_ALI 0 0.0000 -1.2460 -1.3990 1.4070 1 64 81 82 0
64 O32 O_EST 0 0.0000 -2.3320 -1.0560 2.3080 63 65 0 0 0
65 C33 C_BYL 0 0.0000 -2.4760 -1.7180 3.4730 64 66 67 0 0
66 O34 O_BYL 0 0.0000 -1.6960 -2.6020 3.7690 65 0 0 0 0
67 C35 C_ARO 0 0.0000 -3.5790 -1.3700 4.3880 65 68 73 0 0
68 C36 C_ARO 0 0.0000 -3.7290 -2.0560 5.5960 67 69 72 0 0
69 C37 C_ARO 0 0.0000 -4.7630 -1.7280 6.4520 68 70 75 0 0
70 O38 O_HYD 0 0.0000 -4.9100 -2.3950 7.6280 69 71 0 0 0
71 H38 H_OXY 0 0.0000 -4.3960 -1.9110 8.2890 70 0 0 0 0
72 H36 H_ALI 0 0.0000 -3.0370 -2.8420 5.8610 68 0 0 0 0
73 C43 C_ARO 0 0.0000 -4.4730 -0.3500 4.0510 67 74 80 0 0
74 C41 C_ARO 0 0.0000 -5.5090 -0.0300 4.9080 73 75 78 0 0
75 C39 C_ARO 0 0.0000 -5.6560 -0.7150 6.1110 69 74 76 0 0
76 O40 O_HYD 0 0.0000 -6.6720 -0.3950 6.9540 75 77 0 0 0
77 H40 H_OXY 0 0.0000 -6.3380 0.2910 7.5470 76 0 0 0 0
78 O42 O_HYD 0 0.0000 -6.3820 0.9580 4.5780 74 79 0 0 0
79 H42 H_OXY 0 0.0000 -6.0170 1.7820 4.9300 78 0 0 0 0
80 H43 H_ALI 0 0.0000 -4.3590 0.1810 3.1180 73 0 0 0 0
81 HC2 H_ALI 0 0.0000 -0.9980 -2.4540 1.5200 63 0 0 0 0
82 C3 C_ALI 0 0.0000 -1.6730 -1.1240 -0.0380 4 63 83 84 0
83 HC3 H_ALI 0 0.0000 -2.6130 -1.6360 -0.2450 82 0 0 0 0
84 O56 O_EST 0 0.0000 -0.6490 -1.5970 -0.9520 82 85 0 0 0
85 C57 C_BYL 0 0.0000 -0.9890 -2.0170 -2.1860 84 86 87 0 0
86 O58 O_BYL 0 0.0000 -2.1390 -1.9180 -2.5660 85 0 0 0 0
87 C59 C_ARO 0 0.0000 0.0330 -2.5990 -3.0750 85 88 99 0 0
88 C60 C_ARO 0 0.0000 -0.2870 -2.9170 -4.3980 87 89 98 0 0
89 C61 C_ARO 0 0.0000 0.6730 -3.4620 -5.2290 88 90 92 0 0
90 O62 O_HYD 0 0.0000 0.3610 -3.7720 -6.5160 89 91 0 0 0
91 H62 H_OXY 0 0.0000 0.5490 -2.9850 -7.0460 90 0 0 0 0
92 C63 C_ARO 0 0.0000 1.9600 -3.6930 -4.7490 89 93 95 0 0
93 O64 O_HYD 0 0.0000 2.9020 -4.2290 -5.5680 92 94 0 0 0
94 H64 H_OXY 0 0.0000 3.3480 -3.4890 -6.0030 93 0 0 0 0
95 C65 C_ARO 0 0.0000 2.2820 -3.3760 -3.4320 92 96 99 0 0
96 O66 O_HYD 0 0.0000 3.5400 -3.6030 -2.9680 95 97 0 0 0
97 H66 H_OXY 0 0.0000 4.0270 -2.7730 -3.0640 96 0 0 0 0
98 H60 H_ALI 0 0.0000 -1.2850 -2.7380 -4.7700 88 0 0 0 0
99 C67 C_ARO 0 0.0000 1.3270 -2.8270 -2.5980 87 95 100 0 0
100 H67 H_ALI 0 0.0000 1.5780 -2.5810 -1.5770 99 0 0 0 0