REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = "1-(3,4,DIHYDROXY-5-NITROPHENYL)-3-{4-[3-(TRIFLUOROMETHYL) PHENYL] PIPERAZIN-1-YL}PROPAN-1-ONE"
RESIDUE BIA 14 60 1 60
1 CHI1 0 0 0.0000 10 1 2 3 9
2 CHI2 0 0 0.0000 1 2 3 4 6
3 CHI3 0 0 0.0000 2 1 10 11 43
4 CHI4 0 0 0.0000 1 10 11 12 40
5 CHI5 0 0 0.0000 10 11 12 13 37
6 CHI6 0 0 0.0000 11 12 13 14 37
7 CHI7 0 0 0.0000 12 13 14 15 34
8 CHI8 0 0 0.0000 13 14 15 16 31
9 CHI9 0 0 0.0000 14 15 17 18 31
10 CHI10 0 0 0.0000 18 19 20 21 21
11 CHI11 0 0 0.0000 23 24 25 26 27
12 CHI12 0 0 0.0000 19 28 29 30 30
13 PHI1 0 0 0.0000 2 1 44 52 0
14 CHI13 0 0 0.0000 45 46 47 48 50
1 N2 N_AMI 0 0.0000 3.2570 -1.2570 0.3730 2 10 44 0 0
2 C21 C_ALI 0 0.0000 2.8870 -2.4980 -0.3190 1 3 7 8 0
3 C16 C_ALI 0 0.0000 1.4350 -2.8530 0.0030 2 4 5 12 0
4 H161 H_ALI 0 0.0000 1.3140 -2.9410 1.0830 3 0 0 0 6
5 H162 H_ALI 0 0.0000 1.1810 -3.8020 -0.4690 3 0 0 0 6
6 Q1 PSEUD 0 0.0000 1.2475 -3.3715 0.3070 0 0 0 0 0
7 H211 H_ALI 0 0.0000 3.5400 -3.3060 0.0120 2 0 0 0 9
8 H212 H_ALI 0 0.0000 2.9970 -2.3600 -1.3940 2 0 0 0 9
9 Q2 PSEUD 0 0.0000 3.2685 -2.8330 -0.6910 0 0 0 0 0
10 C25 C_ALI 0 0.0000 2.3670 -0.2050 -0.1340 1 11 41 42 0
11 C12 C_ALI 0 0.0000 0.9150 -0.5600 0.1880 10 12 38 39 0
12 N23 N_AMO 0 0.0000 0.5460 -1.8010 -0.5040 3 11 13 0 0
13 C27 C_ALI 0 0.0000 -0.8110 -2.1450 -0.0590 12 14 35 36 0
14 C22 C_ALI 0 0.0000 -1.7520 -0.9700 -0.3350 13 15 32 33 0
15 C6 C_BYL 0 0.0000 -3.1440 -1.3220 0.1220 14 16 17 0 0
16 O8 O_BYL 0 0.0000 -3.3620 -2.4060 0.6200 15 0 0 0 0
17 C11 C_ARO 0 0.0000 -4.2370 -0.3520 -0.0360 15 18 23 0 0
18 C3 C_ARO 0 0.0000 -3.9820 0.9040 -0.6140 17 19 22 0 0
19 C7 C_ARO 0 0.0000 -4.9990 1.8230 -0.7680 18 20 28 0 0
20 O9 O_HYD 0 0.0000 -4.7380 3.0350 -1.3280 19 21 0 0 0
21 H9 H_OXY 0 0.0000 -4.8710 2.9360 -2.2810 20 0 0 0 0
22 H3 H_ALI 0 0.0000 -2.9820 1.1510 -0.9390 18 0 0 0 0
23 C19 C_ARO 0 0.0000 -5.5210 -0.6790 0.3860 17 24 31 0 0
24 C28 C_ARO 0 0.0000 -6.5640 0.2540 0.2320 23 25 28 0 0
25 N14 N_AMO 0 0.0000 -7.8000 -0.0490 0.6330 24 26 27 0 0
26 O17 O_XXX 0 0.0000 -8.7970 0.8490 0.4830 25 0 0 0 0
27 O18 O_XXX 0 0.0000 -8.0290 -1.1360 1.1330 25 0 0 0 0
28 C32 C_ARO 0 0.0000 -6.2910 1.5180 -0.3470 19 24 29 0 0
29 O5 O_HYD 0 0.0000 -7.2850 2.4230 -0.4990 28 30 0 0 0
30 H5 H_OXY 0 0.0000 -7.3060 2.9550 0.3080 29 0 0 0 0
31 H19 H_ALI 0 0.0000 -5.7170 -1.6450 0.8290 23 0 0 0 0
32 H221 H_ALI 0 0.0000 -1.7630 -0.7580 -1.4040 14 0 0 0 34
33 H222 H_ALI 0 0.0000 -1.4030 -0.0900 0.2060 14 0 0 0 34
34 Q3 PSEUD 0 0.0000 -1.5830 -0.4240 -0.5990 0 0 0 0 0
35 H271 H_ALI 0 0.0000 -0.8000 -2.3570 1.0110 13 0 0 0 37
36 H272 H_ALI 0 0.0000 -1.1600 -3.0240 -0.6000 13 0 0 0 37
37 Q4 PSEUD 0 0.0000 -0.9800 -2.6905 0.2055 0 0 0 0 0
38 H121 H_ALI 0 0.0000 0.2630 0.2480 -0.1430 11 0 0 0 40
39 H122 H_ALI 0 0.0000 0.8050 -0.6980 1.2630 11 0 0 0 40
40 Q5 PSEUD 0 0.0000 0.5340 -0.2250 0.5600 0 0 0 0 0
41 H251 H_ALI 0 0.0000 2.6220 0.7440 0.3380 10 0 0 0 43
42 H252 H_ALI 0 0.0000 2.4890 -0.1170 -1.2140 10 0 0 0 43
43 Q6 PSEUD 0 0.0000 2.5555 0.3135 -0.4380 0 0 0 0 0
44 C31 C_ARO 0 0.0000 4.5470 -0.9300 -0.0510 1 45 52 0 0
45 C26 C_ARO 0 0.0000 5.1710 0.2120 0.4350 44 46 51 0 0
46 C24 C_ARO 0 0.0000 6.4490 0.5290 0.0180 45 47 56 0 0
47 C33 C_ALI 0 0.0000 7.1290 1.7650 0.5480 46 48 49 50 0
48 F37 X_XXX 0 0.0000 8.4030 1.8770 -0.0190 47 0 0 0 0
49 F38 X_XXX 0 0.0000 6.3700 2.8930 0.2170 47 0 0 0 0
50 F39 X_XXX 0 0.0000 7.2450 1.6720 1.9390 47 0 0 0 0
51 H26 H_ALI 0 0.0000 4.6600 0.8470 1.1440 45 0 0 0 58
52 C4 C_ARO 0 0.0000 5.2070 -1.7440 -0.9630 44 53 54 0 0
53 H4 H_ALI 0 0.0000 4.7240 -2.6310 -1.3450 52 0 0 0 58
54 C10 C_ARO 0 0.0000 6.4830 -1.4180 -1.3800 52 55 56 0 0
55 H10 H_ALI 0 0.0000 6.9970 -2.0500 -2.0890 54 0 0 0 59
56 C37 C_ARO 0 0.0000 7.1030 -0.2830 -0.8900 46 54 57 0 0
57 H37 H_ALI 0 0.0000 8.1010 -0.0310 -1.2180 56 0 0 0 0
58 Q7 PSEUD 0 0.0000 4.6920 -0.8920 -0.1005 0 0 0 0 60
59 Q8 PSEUD 0 0.0000 6.9970 -2.0500 -2.0890 0 0 0 0 60
60 QQA PSEUD 0 0.0000 5.8445 -1.4710 -1.0947 0 0 0 0 0