REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = 1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-3-YL]METHYL}-3-CYANO-N-(1-ISOPROPYLPIPERIDIN-4-YL)-7-METHYL-1H-INDOLE-2-CARBOXAMIDE RESIDUE IIB 16 73 1 73 1 CHI1 0 0 0.0000 6 7 8 9 43 2 CHI2 0 0 0.0000 7 8 9 10 42 3 CHI3 0 0 0.0000 8 9 10 11 41 4 CHI4 0 0 0.0000 9 10 11 12 18 5 CHI5 0 0 0.0000 10 11 12 13 15 6 CHI6 0 0 0.0000 9 10 19 20 40 7 CHI7 0 0 0.0000 10 19 20 21 37 8 CHI8 0 0 0.0000 19 20 21 22 34 9 CHI9 0 0 0.0000 20 21 22 23 34 10 CHI10 0 0 0.0000 21 22 23 24 27 11 CHI11 0 0 0.0000 21 22 28 29 32 12 CHI12 0 0 0.0000 5 6 44 45 61 13 CHI13 0 0 0.0000 6 44 45 46 58 14 CHI14 0 0 0.0000 47 49 50 51 57 15 CHI15 0 0 0.0000 4 62 63 64 64 16 PHI1 0 0 0.0000 1 68 69 72 0 1 C1 C_ARO 0 0.0000 -3.3690 -5.2870 1.0230 2 67 68 0 0 2 C6 C_ARO 0 0.0000 -4.2650 -5.2370 -0.0360 1 3 66 0 0 3 C5 C_ARO 0 0.0000 -4.3580 -4.1170 -0.8130 2 4 65 0 0 4 C4 C_ARO 0 0.0000 -3.5480 -3.0140 -0.5390 3 5 62 0 0 5 C3 C_ARO 0 0.0000 -2.6380 -3.0570 0.5340 4 6 68 0 0 6 N7 N_AMO 0 0.0000 -1.9760 -1.8530 0.5770 5 7 44 0 0 7 C8 C_ARO 0 0.0000 -2.4200 -1.0290 -0.4240 6 8 62 0 0 8 C10 C_BYL 0 0.0000 -1.9360 0.3370 -0.6820 7 9 43 0 0 9 N11 N_AMO 0 0.0000 -2.4730 1.3790 -0.0170 8 10 42 0 0 10 C12 C_ALI 0 0.0000 -2.0720 2.7480 -0.3530 9 11 19 41 0 11 C13 C_ALI 0 0.0000 -0.8010 3.1140 0.4210 10 12 16 17 0 12 C14 C_ALI 0 0.0000 -0.4540 4.5800 0.1530 11 13 14 21 0 13 H141 H_ALI 0 0.0000 -0.3100 4.7290 -0.9170 12 0 0 0 15 14 H142 H_ALI 0 0.0000 0.4640 4.8380 0.6810 12 0 0 0 15 15 Q1 PSEUD 0 0.0000 0.0770 4.7835 -0.1180 0 0 0 0 0 16 H131 H_ALI 0 0.0000 -0.9700 2.9690 1.4880 11 0 0 0 18 17 H132 H_ALI 0 0.0000 0.0210 2.4790 0.0920 11 0 0 0 18 18 Q2 PSEUD 0 0.0000 -0.4745 2.7240 0.7900 0 0 0 0 0 19 C17 C_ALI 0 0.0000 -3.1890 3.7200 0.0370 10 20 38 39 0 20 C16 C_ALI 0 0.0000 -2.7170 5.1540 -0.2100 19 21 35 36 0 21 N15 N_AMO 0 0.0000 -1.5450 5.4420 0.6220 12 20 22 0 0 22 C27 C_ALI 0 0.0000 -1.1460 6.8250 0.3270 21 23 28 34 0 23 C28 C_ALI 0 0.0000 -2.2760 7.7770 0.7260 22 24 25 26 0 24 H281 H_ALI 0 0.0000 -1.9810 8.8030 0.5070 23 0 0 0 27 25 H282 H_ALI 0 0.0000 -3.1750 7.5300 0.1620 23 0 0 0 27 26 H283 H_ALI 0 0.0000 -2.4770 7.6760 1.7920 23 0 0 0 27 27 Q3 PSEUD 0 0.0000 -2.5443 8.0030 0.8203 0 0 0 0 33 28 C32 C_ALI 0 0.0000 0.1160 7.1720 1.1190 22 29 30 31 0 29 H321 H_ALI 0 0.0000 0.3360 8.2330 1.0050 28 0 0 0 32 30 H322 H_ALI 0 0.0000 -0.0420 6.9440 2.1730 28 0 0 0 32 31 H323 H_ALI 0 0.0000 0.9540 6.5850 0.7420 28 0 0 0 32 32 Q4 PSEUD 0 0.0000 0.4160 7.2540 1.3067 0 0 0 0 33 33 QQA PSEUD 0 0.0000 -1.0642 7.6285 1.0635 0 0 0 0 0 34 H27 H_ALI 0 0.0000 -0.9460 6.9260 -0.7390 22 0 0 0 0 35 H161 H_ALI 0 0.0000 -3.5200 5.8480 0.0410 20 0 0 0 37 36 H162 H_ALI 0 0.0000 -2.4540 5.2730 -1.2610 20 0 0 0 37 37 Q5 PSEUD 0 0.0000 -2.9870 5.5605 -0.6100 0 0 0 0 0 38 H171 H_ALI 0 0.0000 -3.4300 3.5930 1.0930 19 0 0 0 40 39 H172 H_ALI 0 0.0000 -4.0740 3.5190 -0.5660 19 0 0 0 40 40 Q6 PSEUD 0 0.0000 -3.7520 3.5560 0.2635 0 0 0 0 0 41 H12 H_ALI 0 0.0000 -1.8810 2.8220 -1.4230 10 0 0 0 0 42 H11 H_AMI 0 0.0000 -3.1250 1.2230 0.6840 9 0 0 0 0 43 O56 O_BYL 0 0.0000 -1.0520 0.5260 -1.4960 8 0 0 0 0 44 C37 C_ALI 0 0.0000 -0.9440 -1.5010 1.5550 6 45 59 60 0 45 C38 C_ARO 0 0.0000 0.4090 -1.8950 1.0210 44 46 48 0 0 46 N41 N_AMO 0 0.0000 0.7710 -3.0800 0.6150 45 47 0 0 0 47 O42 O_EST 0 0.0000 1.9190 -3.0980 0.2350 46 49 0 0 0 48 C44 C_ARO 0 0.0000 1.5300 -1.0570 0.8710 45 49 58 0 0 49 C43 C_ARO 0 0.0000 2.4940 -1.8860 0.3530 47 48 50 0 0 50 C45 C_ARO 0 0.0000 3.8740 -1.5250 -0.0010 49 51 54 0 0 51 S46 S_RED 0 0.0000 4.6920 0.0560 0.1310 50 52 0 0 0 52 C47 C_ARO 0 0.0000 6.2880 -0.4290 -0.5050 51 53 55 0 0 53 CL50 C_XXX 0 0.0000 7.7140 0.5360 -0.7220 52 0 0 0 0 54 C49 C_ARO 0 0.0000 4.8780 -2.3230 -0.5180 50 55 57 0 0 55 C48 C_ARO 0 0.0000 6.1020 -1.7500 -0.7750 52 54 56 0 0 56 H48 H_ALI 0 0.0000 6.9070 -2.3420 -1.1840 55 0 0 0 0 57 H49 H_ALI 0 0.0000 4.7040 -3.3680 -0.7230 54 0 0 0 0 58 H44 H_ALI 0 0.0000 1.6120 -0.0060 1.1070 48 0 0 0 0 59 H371 H_ALI 0 0.0000 -0.9650 -0.4260 1.7350 44 0 0 0 61 60 H372 H_ALI 0 0.0000 -1.1330 -2.0290 2.4900 44 0 0 0 61 61 Q7 PSEUD 0 0.0000 -1.0490 -1.2275 2.1125 0 0 0 0 0 62 C9 C_ARO 0 0.0000 -3.4000 -1.6860 -1.1500 4 7 63 0 0 63 C7 C_XXX 0 0.0000 -4.1240 -1.1730 -2.2750 62 64 0 0 0 64 N1 N_AMO 0 0.0000 -4.6980 -0.7660 -3.1670 63 0 0 0 0 65 H5 H_ALI 0 0.0000 -5.0570 -4.0850 -1.6360 3 0 0 0 0 66 H6 H_ALI 0 0.0000 -4.8920 -6.0900 -0.2490 2 0 0 0 0 67 H1 H_ALI 0 0.0000 -3.3060 -6.1800 1.6280 1 0 0 0 0 68 C2 C_ARO 0 0.0000 -2.5600 -4.2110 1.3110 1 5 69 0 0 69 C11 C_ALI 0 0.0000 -1.5940 -4.2800 2.4650 68 70 71 72 0 70 H111 H_ALI 0 0.0000 -2.0480 -3.8290 3.3470 69 0 0 0 73 71 H112 H_ALI 0 0.0000 -1.3510 -5.3220 2.6740 69 0 0 0 73 72 H113 H_ALI 0 0.0000 -0.6830 -3.7390 2.2090 69 0 0 0 73 73 Q8 PSEUD 0 0.0000 -1.3607 -4.2967 2.7433 0 0 0 0 0