REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = (5S,6R,7R,9R)-12-HYDROXY-6-METHOXY-5-METHYL-7-(METHYLAMINO)-6,7,8,9-TETRAHYDRO-5H,14H-5,9-EPOXY-4B,9A,15-TRIAZADIBENZO[B,H]CYCLONONA[1,2,3,4-JKL]CYCLOPENTA[E]-AS-INDACEN-14-ONE
RESIDUE A1ST 9 64 1 64
1 CHI1 0 0 0.0000 6 7 8 9 24
2 CHI2 0 0 0.0000 7 8 9 10 17
3 CHI3 0 0 0.0000 8 9 10 11 16
4 CHI4 0 0 0.0000 9 10 11 12 15
5 CHI5 0 0 0.0000 7 8 18 19 23
6 CHI6 0 0 0.0000 8 18 19 20 23
7 CHI7 0 0 0.0000 25 26 33 34 36
8 CHI8 0 0 0.0000 6 7 38 39 42
9 PHI1 0 0 0.0000 30 62 63 64 0
1 C1 C_ARO 0 0.0000 2.1090 0.4130 0.0900 2 46 47 0 0
2 C2 C_ARO 0 0.0000 0.7940 0.6860 -0.2790 1 3 45 0 0
3 C3 C_ARO 0 0.0000 0.5050 1.8220 -1.0100 2 4 44 0 0
4 C4 C_ARO 0 0.0000 1.5180 2.7130 -1.3750 3 5 43 0 0
5 C5 C_ARO 0 0.0000 2.8600 2.4740 -1.0010 4 6 47 0 0
6 N6 N_AMO 0 0.0000 4.0270 3.2400 -1.2220 5 7 56 0 0
7 C24 C_ALI 0 0.0000 4.0930 4.6110 -1.7300 6 8 25 38 0
8 C25 C_ALI 0 0.0000 3.9630 4.7650 -3.2720 7 9 18 24 0
9 C26 C_ALI 0 0.0000 5.1750 4.2910 -4.0790 8 10 17 33 0
10 N31 N_AMO 0 0.0000 5.2790 2.8350 -4.1700 9 11 16 0 0
11 C32 C_ALI 0 0.0000 6.3980 2.4510 -5.0170 10 12 13 14 0
12 H321 H_ALI 0 0.0000 7.3430 2.6500 -4.5040 11 0 0 0 15
13 H322 H_ALI 0 0.0000 6.3770 3.0190 -5.9510 11 0 0 0 15
14 H323 H_ALI 0 0.0000 6.3430 1.3850 -5.2540 11 0 0 0 15
15 Q1 PSEUD 0 0.0000 6.6877 2.3513 -5.2363 0 0 0 0 0
16 HN31 H_AMI 0 0.0000 5.4150 2.4550 -3.2350 10 0 0 0 0
17 H26 H_ALI 0 0.0000 5.0610 4.6390 -5.1130 9 0 0 0 0
18 O33 O_EST 0 0.0000 2.7720 4.1990 -3.8000 8 19 0 0 0
19 C34 C_ALI 0 0.0000 2.5720 4.5740 -5.1570 18 20 21 22 0
20 H341 H_ALI 0 0.0000 3.0870 5.5180 -5.3540 19 0 0 0 23
21 H342 H_ALI 0 0.0000 1.5020 4.6830 -5.3520 19 0 0 0 23
22 H343 H_ALI 0 0.0000 2.9820 3.7960 -5.8050 19 0 0 0 23
23 Q2 PSEUD 0 0.0000 2.5237 4.6657 -5.5037 0 0 0 0 0
24 H25 H_ALI 0 0.0000 3.8810 5.8430 -3.4720 8 0 0 0 0
25 O29 O_EST 0 0.0000 5.3030 5.2210 -1.2730 7 26 0 0 0
26 C28 C_ALI 0 0.0000 6.4870 4.8700 -1.9520 25 27 33 37 0
27 N9 N_AMO 0 0.0000 6.9990 3.6440 -1.4000 26 28 57 0 0
28 C10 C_ARO 0 0.0000 8.3550 3.3340 -1.2610 27 29 59 0 0
29 C11 C_ARO 0 0.0000 9.4770 4.0500 -1.7290 28 30 32 0 0
30 C12 C_ARO 0 0.0000 10.7590 3.5680 -1.4710 29 31 62 0 0
31 H12 H_ALI 0 0.0000 11.6250 4.1180 -1.8310 30 0 0 0 0
32 H11 H_ALI 0 0.0000 9.3580 4.9710 -2.2930 29 0 0 0 0
33 C27 C_ALI 0 0.0000 6.4240 4.9280 -3.4810 9 26 34 35 0
34 H271 H_ALI 0 0.0000 7.3310 4.5120 -3.9360 33 0 0 0 36
35 H272 H_ALI 0 0.0000 6.4030 5.9900 -3.7650 33 0 0 0 36
36 Q3 PSEUD 0 0.0000 6.8670 5.2510 -3.8505 0 0 0 0 0
37 H28 H_ALI 0 0.0000 7.2060 5.6390 -1.6440 26 0 0 0 0
38 C35 C_ALI 0 0.0000 3.0410 5.5140 -1.0390 7 39 40 41 0
39 H351 H_ALI 0 0.0000 3.4520 5.9530 -0.1250 38 0 0 0 42
40 H352 H_ALI 0 0.0000 2.7340 6.3260 -1.7040 38 0 0 0 42
41 H353 H_ALI 0 0.0000 2.1520 4.9330 -0.7720 38 0 0 0 42
42 Q4 PSEUD 0 0.0000 2.7793 5.7373 -0.8670 0 0 0 0 0
43 H4 H_ALI 0 0.0000 1.2420 3.6060 -1.9270 4 0 0 0 0
44 H3 H_ALI 0 0.0000 -0.5210 2.0320 -1.3000 3 0 0 0 0
45 H2 H_ALI 0 0.0000 -0.0000 0.0010 0.0020 2 0 0 0 0
46 H1 H_ALI 0 0.0000 2.3130 -0.4950 0.6500 1 0 0 0 0
47 C23 C_ARO 0 0.0000 3.1690 1.2880 -0.2640 1 5 48 0 0
48 C22 C_ARO 0 0.0000 4.5960 1.1730 -0.0290 47 49 56 0 0
49 C21 C_ARO 0 0.0000 5.4220 0.2410 0.5740 48 50 53 0 0
50 C17 C_ARO 0 0.0000 6.7730 0.4320 0.5180 49 51 58 0 0
51 C18 C_BYL 0 0.0000 7.3770 -0.7090 1.1870 50 52 54 0 0
52 O30 O_BYL 0 0.0000 8.5740 -0.8770 1.3340 51 0 0 0 0
53 C20 C_BYL 0 0.0000 5.2250 -1.0020 1.2620 49 54 55 0 0
54 N19 N_AMO 0 0.0000 6.3510 -1.5460 1.6170 51 53 0 0 0
55 H20 H_ALI 0 0.0000 4.2450 -1.4500 1.4700 53 0 0 0 0
56 C7 C_ARO 0 0.0000 4.9850 2.4040 -0.6870 6 48 57 0 0
57 C8 C_ARO 0 0.0000 6.4000 2.5980 -0.7640 27 56 58 0 0
58 C16 C_ARO 0 0.0000 7.2180 1.5590 -0.1540 50 57 59 0 0
59 C15 C_ARO 0 0.0000 8.5160 2.1240 -0.5240 28 58 60 0 0
60 C14 C_ARO 0 0.0000 9.8400 1.6740 -0.2890 59 61 62 0 0
61 H14 H_ALI 0 0.0000 10.0270 0.7580 0.2610 60 0 0 0 0
62 C13 C_ARO 0 0.0000 10.9410 2.3940 -0.7590 30 60 63 0 0
63 O36 O_HYD 0 0.0000 12.2000 1.9350 -0.5160 62 64 0 0 0
64 HO36 H_OXY 0 0.0000 12.3600 1.8830 0.4400 63 0 0 0 0