REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE RESIDUE A627 14 73 1 73 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 68 0 12 CHI10 0 0 0.0000 50 52 53 54 64 13 PHI3 0 0 0.0000 50 52 68 69 0 14 CHI11 0 0 0.0000 52 68 69 70 73 1 N1 N_AMI 0 0.0000 1.6360 -1.3610 -0.4360 2 45 50 0 0 2 C15 C_ARO 0 0.0000 1.6980 -2.7260 -0.7480 1 3 44 0 0 3 C14 C_ARO 0 0.0000 0.4180 -3.1860 -0.7490 2 4 46 0 0 4 C3 C_BYL 0 0.0000 -0.4030 -4.3070 -0.9360 3 5 48 0 0 5 N5 N_AMO 0 0.0000 -0.0210 -5.4950 -1.2340 4 6 0 0 0 6 C6 C_BYL 0 0.0000 1.3400 -5.7510 -1.4000 5 7 43 0 0 7 C7 C_ARO 0 0.0000 1.8740 -5.5860 -2.7420 6 8 12 0 0 8 C9 C_ARO 0 0.0000 1.0340 -5.1900 -3.7830 7 9 11 0 0 9 C10 C_ARO 0 0.0000 1.5460 -5.0320 -5.0710 8 10 14 0 0 10 H10 H_ALI 0 0.0000 0.8830 -4.7240 -5.8750 9 0 0 0 41 11 H9 H_ALI 0 0.0000 -0.0210 -5.0020 -3.6010 8 0 0 0 40 12 C12 C_ARO 0 0.0000 3.2260 -5.8240 -2.9890 7 13 39 0 0 13 C11 C_ARO 0 0.0000 3.7380 -5.6660 -4.2770 12 14 38 0 0 14 C24 C_ARO 0 0.0000 2.9080 -5.2670 -5.3440 9 13 15 0 0 15 N17 N_AMO 0 0.0000 3.4220 -5.1080 -6.6360 14 16 24 0 0 16 C18 C_ALI 0 0.0000 4.5590 -5.9250 -7.0720 15 17 21 22 0 17 C19 C_ALI 0 0.0000 4.6310 -5.9740 -8.6000 16 18 19 26 0 18 H191 H_ALI 0 0.0000 5.5450 -6.5070 -8.8870 17 0 0 0 20 19 H192 H_ALI 0 0.0000 3.7800 -6.5480 -8.9920 17 0 0 0 20 20 Q1 PSEUD 0 0.0000 4.6625 -6.5275 -8.9395 0 0 0 0 0 21 H181 H_ALI 0 0.0000 4.4570 -6.9490 -6.6910 16 0 0 0 23 22 H182 H_ALI 0 0.0000 5.4870 -5.5100 -6.6590 16 0 0 0 23 23 Q2 PSEUD 0 0.0000 4.9720 -6.2295 -6.6750 0 0 0 0 0 24 C22 C_ALI 0 0.0000 3.3120 -3.7860 -7.2650 15 25 35 36 0 25 C21 C_ALI 0 0.0000 3.4230 -3.9040 -8.7870 24 26 32 33 0 26 N20 N_AMO 0 0.0000 4.6450 -4.6210 -9.1710 17 25 27 0 0 27 C23 C_ALI 0 0.0000 4.7680 -4.6800 -10.6270 26 28 29 30 0 28 H231 H_ALI 0 0.0000 4.4160 -5.6480 -10.9950 27 0 0 0 31 29 H232 H_ALI 0 0.0000 5.8120 -4.5500 -10.9240 27 0 0 0 31 30 H233 H_ALI 0 0.0000 4.1710 -3.8890 -11.0900 27 0 0 0 31 31 Q3 PSEUD 0 0.0000 4.7997 -4.6957 -11.0030 0 0 0 0 0 32 H211 H_ALI 0 0.0000 2.5350 -4.4150 -9.1840 25 0 0 0 34 33 H212 H_ALI 0 0.0000 3.4350 -2.8930 -9.2120 25 0 0 0 34 34 Q4 PSEUD 0 0.0000 2.9850 -3.6540 -9.1980 0 0 0 0 0 35 H221 H_ALI 0 0.0000 4.0990 -3.1290 -6.8740 24 0 0 0 37 36 H222 H_ALI 0 0.0000 2.3460 -3.3270 -7.0180 24 0 0 0 37 37 Q5 PSEUD 0 0.0000 3.2225 -3.2280 -6.9460 0 0 0 0 0 38 H11 H_ALI 0 0.0000 4.7930 -5.8550 -4.4600 13 0 0 0 41 39 H12 H_ALI 0 0.0000 3.8900 -6.1320 -2.1860 12 0 0 0 40 40 Q9 PSEUD 0 0.0000 1.9345 -5.5670 -2.8935 0 0 0 0 42 41 Q10 PSEUD 0 0.0000 2.8380 -5.2895 -5.1675 0 0 0 0 42 42 QQB PSEUD 0 0.0000 2.3863 -5.4283 -4.0305 0 0 0 0 0 43 O8 O_BYL 0 0.0000 2.0870 -6.1040 -0.4660 6 0 0 0 0 44 H15 H_ALI 0 0.0000 2.6440 -3.2170 -0.9330 2 0 0 0 0 45 C16 C_ARO 0 0.0000 0.2890 -1.0110 -0.2500 1 46 49 0 0 46 C13 C_ARO 0 0.0000 -0.4200 -2.1510 -0.4500 3 45 47 0 0 47 N2 N_AMO 0 0.0000 -1.7360 -2.6070 -0.4480 46 48 0 0 0 48 N4 N_AMO 0 0.0000 -1.7110 -3.8650 -0.7330 4 47 0 0 0 49 H16 H_ALI 0 0.0000 -0.0000 0.0000 -0.0020 45 0 0 0 0 50 C25 C_BYL 0 0.0000 2.7060 -0.4620 -0.3200 1 51 52 0 0 51 O26 O_BYL 0 0.0000 2.4770 0.7060 -0.0380 50 0 0 0 0 52 C20 C_ALI 0 0.0000 4.0700 -1.0350 -0.5580 50 53 67 68 0 53 C27 C_ARO 0 0.0000 4.4790 -0.8930 -2.0000 52 54 58 0 0 54 C28 C_ARO 0 0.0000 5.3280 -1.8340 -2.5650 53 55 57 0 0 55 C31 C_ARO 0 0.0000 5.7070 -1.7020 -3.9010 54 56 60 0 0 56 H31 H_ALI 0 0.0000 6.3720 -2.4330 -4.3510 55 0 0 0 65 57 H28 H_ALI 0 0.0000 5.7020 -2.6720 -1.9830 54 0 0 0 64 58 C29 C_ARO 0 0.0000 4.0010 0.1770 -2.7430 53 59 63 0 0 59 C33 C_ARO 0 0.0000 4.3800 0.3090 -4.0790 58 60 62 0 0 60 C35 C_ARO 0 0.0000 5.2330 -0.6310 -4.6580 55 59 61 0 0 61 H35 H_ALI 0 0.0000 5.5280 -0.5280 -5.6980 60 0 0 0 0 62 H33 H_ALI 0 0.0000 4.0110 1.1430 -4.6680 59 0 0 0 65 63 H29 H_ALI 0 0.0000 3.3360 0.9140 -2.3000 58 0 0 0 64 64 Q7 PSEUD 0 0.0000 4.5190 -0.8790 -2.1415 0 0 0 0 66 65 Q8 PSEUD 0 0.0000 5.1915 -0.6450 -4.5095 0 0 0 0 66 66 QQA PSEUD 0 0.0000 4.8553 -0.7620 -3.3255 0 0 0 0 0 67 H20 H_ALI 0 0.0000 4.0590 -2.0880 -0.2600 52 0 0 0 0 68 O34 O_EST 0 0.0000 4.9760 -0.3480 0.2870 52 69 0 0 0 69 C36 C_ALI 0 0.0000 6.3000 -0.8530 0.1590 68 70 71 72 0 70 H361 H_ALI 0 0.0000 6.2660 -1.9370 0.0200 69 0 0 0 73 71 H362 H_ALI 0 0.0000 6.8730 -0.6090 1.0580 69 0 0 0 73 72 H363 H_ALI 0 0.0000 6.7750 -0.3910 -0.7100 69 0 0 0 73 73 Q6 PSEUD 0 0.0000 6.6380 -0.9790 0.1227 0 0 0 0 0