REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = (3E)-N-(2,6-DIETHYLPHENYL)-3-{[4-(4-METHYLPIPERAZIN-1-YL)BENZOYL]IMINO}PYRROLO[3,4-C]PYRAZOLE-5(3H)-CARBOXAMIDE RESIDUE MPY 16 80 1 80 1 CHI1 0 0 0.0000 4 5 6 7 43 2 CHI2 0 0 0.0000 5 6 7 8 40 3 CHI3 0 0 0.0000 9 14 15 16 37 4 CHI4 0 0 0.0000 14 15 16 17 23 5 CHI5 0 0 0.0000 15 16 17 18 20 6 CHI6 0 0 0.0000 14 15 24 25 37 7 CHI7 0 0 0.0000 15 24 25 26 34 8 CHI8 0 0 0.0000 24 25 26 27 31 9 CHI9 0 0 0.0000 25 26 27 28 31 10 PHI1 0 0 0.0000 2 1 50 52 0 11 PHI2 0 0 0.0000 1 50 52 54 0 12 PHI3 0 0 0.0000 50 52 54 71 0 13 CHI10 0 0 0.0000 54 55 62 63 70 14 CHI11 0 0 0.0000 55 62 63 64 67 15 PHI4 0 0 0.0000 54 71 72 76 0 16 PHI5 0 0 0.0000 71 72 76 79 0 1 N1 N_AMI 0 0.0000 0.5570 -0.0190 -3.2470 2 45 50 0 0 2 C15 C_ARO 0 0.0000 0.1940 -0.0760 -1.9290 1 3 44 0 0 3 C14 C_ARO 0 0.0000 1.3120 -0.0740 -1.1660 2 4 46 0 0 4 C3 C_BYL 0 0.0000 1.9490 -0.1030 0.1580 3 5 48 0 0 5 N5 N_AMO 0 0.0000 1.3440 -0.1680 1.3370 4 6 0 0 0 6 C6 C_BYL 0 0.0000 2.0720 -0.1870 2.4640 5 7 43 0 0 7 C7 C_ARO 0 0.0000 1.3980 -0.2590 3.7770 6 8 12 0 0 8 C9 C_ARO 0 0.0000 2.1550 -0.2790 4.9520 7 9 11 0 0 9 C10 C_ARO 0 0.0000 1.5250 -0.3460 6.1740 8 10 14 0 0 10 H10 H_ALI 0 0.0000 2.1090 -0.3610 7.0820 9 0 0 0 41 11 H9 H_ALI 0 0.0000 3.2330 -0.2420 4.9010 8 0 0 0 40 12 C12 C_ARO 0 0.0000 0.0030 -0.3020 3.8470 7 13 39 0 0 13 C11 C_ARO 0 0.0000 -0.6210 -0.3740 5.0710 12 14 38 0 0 14 C24 C_ARO 0 0.0000 0.1350 -0.3940 6.2400 9 13 15 0 0 15 N17 N_AMO 0 0.0000 -0.4980 -0.4620 7.4760 14 16 24 0 0 16 C18 C_ALI 0 0.0000 -1.9410 -0.4990 7.2080 15 17 21 22 0 17 C19 C_ALI 0 0.0000 -2.7100 -0.4520 8.5290 16 18 19 26 0 18 H191 H_ALI 0 0.0000 -2.3960 -1.2810 9.1620 17 0 0 0 20 19 H192 H_ALI 0 0.0000 -3.7790 -0.5330 8.3300 17 0 0 0 20 20 Q1 PSEUD 0 0.0000 -3.0875 -0.9070 8.7460 0 0 0 0 0 21 H181 H_ALI 0 0.0000 -2.1880 -1.4190 6.6780 16 0 0 0 23 22 H182 H_ALI 0 0.0000 -2.2190 0.3570 6.5960 16 0 0 0 23 23 Q2 PSEUD 0 0.0000 -2.2035 -0.5310 6.6370 0 0 0 0 0 24 C22 C_ALI 0 0.0000 -0.2240 0.8060 8.1610 15 25 35 36 0 25 C21 C_ALI 0 0.0000 -0.9940 0.8540 9.4820 24 26 32 33 0 26 N20 N_AMO 0 0.0000 -2.4370 0.8160 9.2150 17 25 27 0 0 27 C23 C_ALI 0 0.0000 -3.1060 0.7440 10.5200 26 28 29 30 0 28 H231 H_ALI 0 0.0000 -2.9310 1.6690 11.0700 27 0 0 0 31 29 H232 H_ALI 0 0.0000 -4.1770 0.6070 10.3720 27 0 0 0 31 30 H233 H_ALI 0 0.0000 -2.7070 -0.0960 11.0870 27 0 0 0 31 31 Q3 PSEUD 0 0.0000 -3.2717 0.7267 10.8430 0 0 0 0 0 32 H211 H_ALI 0 0.0000 -0.7460 1.7730 10.0130 25 0 0 0 34 33 H212 H_ALI 0 0.0000 -0.7160 -0.0030 10.0950 25 0 0 0 34 34 Q4 PSEUD 0 0.0000 -0.7310 0.8850 10.0540 0 0 0 0 0 35 H221 H_ALI 0 0.0000 0.8430 0.8870 8.3610 24 0 0 0 37 36 H222 H_ALI 0 0.0000 -0.5390 1.6350 7.5280 24 0 0 0 37 37 Q5 PSEUD 0 0.0000 0.1520 1.2610 7.9445 0 0 0 0 0 38 H11 H_ALI 0 0.0000 -1.6980 -0.4120 5.1260 13 0 0 0 41 39 H12 H_ALI 0 0.0000 -0.5830 -0.2860 2.9410 12 0 0 0 40 40 Q10 PSEUD 0 0.0000 1.3250 -0.2640 3.9210 0 0 0 0 42 41 Q11 PSEUD 0 0.0000 0.2055 -0.3865 6.1040 0 0 0 0 42 42 QQA PSEUD 0 0.0000 0.7653 -0.3252 5.0125 0 0 0 0 0 43 O8 O_BYL 0 0.0000 3.2880 -0.1450 2.4050 6 0 0 0 0 44 H15 H_ALI 0 0.0000 -0.8180 -0.1140 -1.5580 2 0 0 0 0 45 C16 C_ARO 0 0.0000 1.9170 0.0290 -3.3620 1 46 49 0 0 46 C13 C_ARO 0 0.0000 2.4620 -0.0000 -2.0980 3 45 47 0 0 47 N2 N_AMO 0 0.0000 3.5600 0.0060 -1.3280 46 48 0 0 0 48 N4 N_AMO 0 0.0000 3.2890 -0.0500 -0.0770 4 47 0 0 0 49 H16 H_ALI 0 0.0000 2.4720 0.0830 -4.2870 45 0 0 0 0 50 C25 C_BYL 0 0.0000 -0.3040 -0.0080 -4.2840 1 51 52 0 0 51 O26 O_BYL 0 0.0000 -1.5010 -0.0550 -4.0790 50 0 0 0 0 52 N30 N_AMI 0 0.0000 0.1610 0.0550 -5.5470 50 53 54 0 0 53 H30 H_AMI 0 0.0000 1.1170 0.0920 -5.7100 52 0 0 0 0 54 C27 C_ARO 0 0.0000 -0.7320 0.0670 -6.6230 52 55 71 0 0 55 C28 C_ARO 0 0.0000 -1.5980 -1.0010 -6.8200 54 56 62 0 0 56 C31 C_ARO 0 0.0000 -2.4800 -0.9860 -7.8820 55 57 61 0 0 57 C35 C_ARO 0 0.0000 -2.4980 0.0880 -8.7530 56 58 60 0 0 58 C33 C_ARO 0 0.0000 -1.6340 1.1500 -8.5630 57 59 71 0 0 59 H33 H_ALI 0 0.0000 -1.6500 1.9870 -9.2450 58 0 0 0 0 60 H35 H_ALI 0 0.0000 -3.1880 0.0960 -9.5840 57 0 0 0 0 61 H31 H_ALI 0 0.0000 -3.1560 -1.8140 -8.0340 56 0 0 0 0 62 C32 C_ALI 0 0.0000 -1.5790 -2.1720 -5.8710 55 63 68 69 0 63 C36 C_ALI 0 0.0000 -0.5880 -3.2220 -6.3770 62 64 65 66 0 64 H361 H_ALI 0 0.0000 -0.5740 -4.0690 -5.6910 63 0 0 0 67 65 H362 H_ALI 0 0.0000 -0.8910 -3.5610 -7.3670 63 0 0 0 67 66 H363 H_ALI 0 0.0000 0.4080 -2.7830 -6.4330 63 0 0 0 67 67 Q6 PSEUD 0 0.0000 -0.3523 -3.4710 -6.4970 0 0 0 0 0 68 H321 H_ALI 0 0.0000 -2.5750 -2.6100 -5.8150 62 0 0 0 70 69 H322 H_ALI 0 0.0000 -1.2750 -1.8320 -4.8810 62 0 0 0 70 70 Q7 PSEUD 0 0.0000 -1.9250 -2.2210 -5.3480 0 0 0 0 0 71 C29 C_ARO 0 0.0000 -0.7490 1.1420 -7.5020 54 58 72 0 0 72 C34 C_ALI 0 0.0000 0.1910 2.3000 -7.2950 71 73 74 76 0 73 H341 H_ALI 0 0.0000 1.1050 1.9450 -6.8200 72 0 0 0 75 74 H342 H_ALI 0 0.0000 0.4320 2.7490 -8.2580 72 0 0 0 75 75 Q8 PSEUD 0 0.0000 0.7685 2.3470 -7.5390 0 0 0 0 0 76 C37 C_ALI 0 0.0000 -0.4760 3.3450 -6.3980 72 77 78 79 0 77 H371 H_ALI 0 0.0000 0.2040 4.1830 -6.2480 76 0 0 0 80 78 H372 H_ALI 0 0.0000 -1.3900 3.7000 -6.8730 76 0 0 0 80 79 H373 H_ALI 0 0.0000 -0.7170 2.8960 -5.4340 76 0 0 0 80 80 Q9 PSEUD 0 0.0000 -0.6343 3.5930 -6.1850 0 0 0 0 0