REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = 9-CYCLOPENTYL-6-{2-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPOXY]-PHENYLAMINO}-9H-PURINE-2-CARBONITRILE RESIDUE IHJ 19 81 1 81 1 CHI1 0 0 0.0000 4 5 7 8 57 2 CHI2 0 0 0.0000 5 7 8 9 56 3 CHI3 0 0 0.0000 8 13 21 22 56 4 CHI4 0 0 0.0000 13 21 22 23 56 5 CHI5 0 0 0.0000 21 22 23 24 53 6 CHI6 0 0 0.0000 22 23 24 25 50 7 CHI7 0 0 0.0000 23 24 25 26 47 8 CHI8 0 0 0.0000 24 25 26 27 33 9 CHI9 0 0 0.0000 25 26 27 28 30 10 CHI10 0 0 0.0000 24 25 34 35 47 11 CHI11 0 0 0.0000 25 34 35 36 44 12 CHI12 0 0 0.0000 34 35 36 37 41 13 CHI13 0 0 0.0000 35 36 37 38 41 14 CHI14 0 0 0.0000 2 1 59 60 76 15 CHI15 0 0 0.0000 1 59 60 61 67 16 CHI16 0 0 0.0000 59 60 61 62 64 17 CHI17 0 0 0.0000 1 59 68 69 75 18 CHI18 0 0 0.0000 59 68 69 70 72 19 PHI1 0 0 0.0000 6 79 80 81 0 1 N01 N_AMI 0 0.0000 4.7620 1.6410 -0.0350 2 59 77 0 0 2 C02 C_ARO 0 0.0000 3.6810 2.4000 -0.3680 1 3 58 0 0 3 N03 N_AMO 0 0.0000 2.6190 1.6510 -0.4500 2 4 0 0 0 4 C08 C_ARO 0 0.0000 2.9490 0.3670 -0.1820 3 5 77 0 0 5 C09 C_ARO 0 0.0000 2.2350 -0.8440 -0.1160 4 6 7 0 0 6 N10 N_AMO 0 0.0000 2.8940 -1.9520 0.1930 5 79 0 0 0 7 N11 N_AMO 0 0.0000 0.8740 -0.8780 -0.3720 5 8 57 0 0 8 C30 C_ARO 0 0.0000 0.2050 -2.1060 -0.4360 7 9 13 0 0 9 C31 C_ARO 0 0.0000 0.9190 -3.2780 -0.6340 8 10 12 0 0 10 C32 C_ARO 0 0.0000 0.2560 -4.4890 -0.6970 9 11 15 0 0 11 H32 H_ALI 0 0.0000 0.8130 -5.4010 -0.8560 10 0 0 0 19 12 H31 H_ALI 0 0.0000 1.9930 -3.2450 -0.7440 9 0 0 0 18 13 C35 C_ARO 0 0.0000 -1.1800 -2.1550 -0.2900 8 14 21 0 0 14 C34 C_ARO 0 0.0000 -1.8370 -3.3720 -0.3540 13 15 17 0 0 15 C33 C_ARO 0 0.0000 -1.1190 -4.5360 -0.5580 10 14 16 0 0 16 H33 H_ALI 0 0.0000 -1.6330 -5.4850 -0.6070 15 0 0 0 0 17 H34 H_ALI 0 0.0000 -2.9110 -3.4130 -0.2450 14 0 0 0 19 18 Q13 PSEUD 0 0.0000 1.9930 -3.2450 -0.7440 0 0 0 0 20 19 Q14 PSEUD 0 0.0000 -1.0490 -4.4070 -0.5505 0 0 0 0 20 20 QQA PSEUD 0 0.0000 0.4720 -3.8260 -0.6473 0 0 0 0 0 21 O40 O_EST 0 0.0000 -1.8850 -1.0090 -0.0910 13 22 0 0 0 22 C41 C_ALI 0 0.0000 -3.2600 -1.3830 0.0130 21 23 54 55 0 23 C42 C_ALI 0 0.0000 -4.1140 -0.1340 0.2390 22 24 51 52 0 24 C43 C_ALI 0 0.0000 -5.5860 -0.5340 0.3500 23 25 48 49 0 25 N51 N_AMO 0 0.0000 -6.4050 0.6650 0.5670 24 26 34 0 0 26 C52 C_ALI 0 0.0000 -6.5020 1.3500 -0.7280 25 27 31 32 0 27 C53 C_ALI 0 0.0000 -7.4450 2.5480 -0.6060 26 28 29 36 0 28 H531 H_ALI 0 0.0000 -7.4730 3.0850 -1.5550 27 0 0 0 30 29 H532 H_ALI 0 0.0000 -7.0850 3.2150 0.1770 27 0 0 0 30 30 Q1 PSEUD 0 0.0000 -7.2790 3.1500 -0.6890 0 0 0 0 0 31 H521 H_ALI 0 0.0000 -5.5140 1.6960 -1.0300 26 0 0 0 33 32 H522 H_ALI 0 0.0000 -6.8890 0.6580 -1.4760 26 0 0 0 33 33 Q2 PSEUD 0 0.0000 -6.2015 1.1770 -1.2530 0 0 0 0 0 34 C56 C_ALI 0 0.0000 -7.7550 0.1990 0.9050 25 35 45 46 0 35 C55 C_ALI 0 0.0000 -8.6980 1.3970 1.0260 34 36 42 43 0 36 N54 N_AMO 0 0.0000 -8.7950 2.0820 -0.2690 27 35 37 0 0 37 C61 C_ALI 0 0.0000 -9.6140 3.2820 -0.0510 36 38 39 40 0 38 H611 H_ALI 0 0.0000 -9.1340 3.9200 0.6900 37 0 0 0 41 39 H612 H_ALI 0 0.0000 -9.7160 3.8270 -0.9900 37 0 0 0 41 40 H613 H_ALI 0 0.0000 -10.6010 2.9880 0.3070 37 0 0 0 41 41 Q3 PSEUD 0 0.0000 -9.8170 3.5783 0.0023 0 0 0 0 0 42 H551 H_ALI 0 0.0000 -8.3110 2.0890 1.7740 35 0 0 0 44 43 H552 H_ALI 0 0.0000 -9.6860 1.0520 1.3290 35 0 0 0 44 44 Q4 PSEUD 0 0.0000 -8.9985 1.5705 1.5515 0 0 0 0 0 45 H561 H_ALI 0 0.0000 -7.7270 -0.3380 1.8530 34 0 0 0 47 46 H562 H_ALI 0 0.0000 -8.1150 -0.4680 0.1220 34 0 0 0 47 47 Q5 PSEUD 0 0.0000 -7.9210 -0.4030 0.9875 0 0 0 0 0 48 H431 H_ALI 0 0.0000 -5.7140 -1.2190 1.1890 24 0 0 0 50 49 H432 H_ALI 0 0.0000 -5.8990 -1.0260 -0.5710 24 0 0 0 50 50 Q6 PSEUD 0 0.0000 -5.8065 -1.1225 0.3090 0 0 0 0 0 51 H421 H_ALI 0 0.0000 -3.9850 0.5510 -0.6000 23 0 0 0 53 52 H422 H_ALI 0 0.0000 -3.8010 0.3580 1.1600 23 0 0 0 53 53 Q7 PSEUD 0 0.0000 -3.8930 0.4545 0.2800 0 0 0 0 0 54 H411 H_ALI 0 0.0000 -3.3890 -2.0680 0.8520 22 0 0 0 56 55 H412 H_ALI 0 0.0000 -3.5730 -1.8750 -0.9080 22 0 0 0 56 56 Q8 PSEUD 0 0.0000 -3.4810 -1.9715 -0.0280 0 0 0 0 0 57 H11 H_AMI 0 0.0000 0.3850 -0.0510 -0.5070 7 0 0 0 0 58 H02 H_ALI 0 0.0000 3.7020 3.4660 -0.5380 2 0 0 0 0 59 C16 C_ALI 0 0.0000 6.1340 2.1200 0.1510 1 60 68 76 0 60 C17 C_ALI 0 0.0000 6.6470 2.7670 -1.1470 59 61 65 66 0 61 C18 C_ALI 0 0.0000 6.9750 4.2350 -0.8080 60 62 63 69 0 62 H181 H_ALI 0 0.0000 7.8700 4.5590 -1.3390 61 0 0 0 64 63 H182 H_ALI 0 0.0000 6.1310 4.8810 -1.0520 61 0 0 0 64 64 Q9 PSEUD 0 0.0000 7.0005 4.7200 -1.1955 0 0 0 0 0 65 H171 H_ALI 0 0.0000 7.5460 2.2530 -1.4900 60 0 0 0 67 66 H172 H_ALI 0 0.0000 5.8760 2.7240 -1.9160 60 0 0 0 67 67 Q10 PSEUD 0 0.0000 6.7110 2.4885 -1.7030 0 0 0 0 0 68 C20 C_ALI 0 0.0000 6.1680 3.2180 1.2340 59 69 73 74 0 69 C19 C_ALI 0 0.0000 7.2260 4.2250 0.7200 61 68 70 71 0 70 H191 H_ALI 0 0.0000 8.2340 3.8750 0.9440 69 0 0 0 72 71 H192 H_ALI 0 0.0000 7.0570 5.2140 1.1460 69 0 0 0 72 72 Q11 PSEUD 0 0.0000 7.6455 4.5445 1.0450 0 0 0 0 0 73 H201 H_ALI 0 0.0000 5.1930 3.6990 1.3200 68 0 0 0 75 74 H202 H_ALI 0 0.0000 6.4730 2.7990 2.1930 68 0 0 0 75 75 Q12 PSEUD 0 0.0000 5.8330 3.2490 1.7565 0 0 0 0 0 76 H16 H_ALI 0 0.0000 6.7830 1.2920 0.4380 59 0 0 0 0 77 C07 C_ARO 0 0.0000 4.3290 0.3440 0.0940 1 4 78 0 0 78 N06 N_AMI 0 0.0000 4.9090 -0.8100 0.3940 77 79 0 0 0 79 C05 C_ARO 0 0.0000 4.2000 -1.9290 0.4400 6 78 80 0 0 80 C12 C_XXX 0 0.0000 4.8640 -3.1540 0.7680 79 81 0 0 0 81 N13 N_AMO 0 0.0000 5.3910 -4.1270 1.0280 80 0 0 0 0