REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = 1-{[(3R)-3-methyl-4-({4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]phenyl}sulfonyl)piperazin-1-yl]methyl}cyclopropanecarboxamide RESIDUE D4N 10 68 1 68 1 CHI1 0 0 0.0000 1 2 3 4 64 2 CHI2 0 0 0.0000 2 3 4 5 7 3 CHI3 0 0 0.0000 2 3 8 9 11 4 CHI4 0 0 0.0000 2 3 12 13 64 5 CHI5 0 0 0.0000 3 12 13 14 61 6 CHI6 0 0 0.0000 31 36 37 38 48 7 CHI7 0 0 0.0000 36 37 38 39 41 8 CHI8 0 0 0.0000 36 37 42 43 46 9 CHI9 0 0 0.0000 36 37 47 48 48 10 PHI1 0 0 0.0000 1 2 65 67 0 1 O1 O_BYL 0 0.0000 -6.2850 1.4150 -1.0250 2 0 0 0 0 2 C3 C_BYL 0 0.0000 -5.6040 1.4490 -0.0220 1 3 65 0 0 3 C1 C_ALI 0 0.0000 -4.3440 2.2760 0.0060 2 4 8 12 0 4 C6 C_ALI 0 0.0000 -3.9410 2.9920 -1.2840 3 5 6 8 0 5 H6 H_ALI 0 0.0000 -2.8750 3.0800 -1.4990 4 0 0 0 7 6 H6A H_ALI 0 0.0000 -4.5860 2.8650 -2.1530 4 0 0 0 7 7 Q1 PSEUD 0 0.0000 -3.7305 2.9725 -1.8260 0 0 0 0 0 8 C14 C_ALI 0 0.0000 -4.4930 3.7940 -0.1050 3 4 9 10 0 9 H14 H_ALI 0 0.0000 -5.5020 4.1960 -0.1980 8 0 0 0 11 10 H14A H_ALI 0 0.0000 -3.7920 4.4110 0.4570 8 0 0 0 11 11 Q2 PSEUD 0 0.0000 -4.6470 4.3035 0.1295 0 0 0 0 0 12 C23 C_ALI 0 0.0000 -3.2220 1.7390 0.8970 3 13 62 63 0 13 N20 N_AMO 0 0.0000 -2.9190 0.3520 0.5200 12 14 25 0 0 14 C21 C_ALI 0 0.0000 -2.1250 -0.3150 1.5600 13 15 22 23 0 15 C22 C_ALI 0 0.0000 -1.9850 -1.8020 1.2170 14 16 21 27 0 16 C68 C_ALI 0 0.0000 -3.3560 -2.4770 1.2860 15 17 18 19 0 17 H68 H_ALI 0 0.0000 -3.2560 -3.5310 1.0240 16 0 0 0 20 18 H68A H_ALI 0 0.0000 -3.7540 -2.3900 2.2970 16 0 0 0 20 19 H68B H_ALI 0 0.0000 -4.0360 -1.9920 0.5850 16 0 0 0 20 20 Q3 PSEUD 0 0.0000 -3.6820 -2.6377 1.3020 0 0 0 0 0 21 H22 H_ALI 0 0.0000 -1.3050 -2.2810 1.9210 15 0 0 0 0 22 H21 H_ALI 0 0.0000 -2.6260 -0.2100 2.5230 14 0 0 0 24 23 H21A H_ALI 0 0.0000 -1.1370 0.1410 1.6120 14 0 0 0 24 24 Q4 PSEUD 0 0.0000 -1.8815 -0.0345 2.0675 0 0 0 0 0 25 C19 C_ALI 0 0.0000 -2.2430 0.2960 -0.7840 13 26 59 60 0 26 C18 C_ALI 0 0.0000 -2.1080 -1.1660 -1.2230 25 27 56 57 0 27 N17 N_AMO 0 0.0000 -1.4460 -1.9180 -0.1470 15 26 28 0 0 28 S14 S_XXX 0 0.0000 -0.1270 -2.8690 -0.4610 27 29 54 55 0 29 C11 C_ARO 0 0.0000 1.3030 -1.8590 -0.2690 28 30 34 0 0 30 C10 C_ARO 0 0.0000 1.9220 -1.7640 0.9630 29 31 33 0 0 31 C9 C_ARO 0 0.0000 3.0440 -0.9710 1.1140 30 32 36 0 0 32 H9 H_ALI 0 0.0000 3.5280 -0.8970 2.0770 31 0 0 0 52 33 H10 H_ALI 0 0.0000 1.5300 -2.3100 1.8080 30 0 0 0 51 34 C12 C_ARO 0 0.0000 1.8060 -1.1600 -1.3510 29 35 50 0 0 35 C13 C_ARO 0 0.0000 2.9250 -0.3630 -1.1990 34 36 49 0 0 36 C8 C_ARO 0 0.0000 3.5480 -0.2730 0.0320 31 35 37 0 0 37 C5 C_ALI 0 0.0000 4.7710 0.5920 0.1970 36 38 42 47 0 38 C2 C_ALI 0 0.0000 4.3800 2.0630 0.0450 37 39 40 41 0 39 F4 X_XXX 0 0.0000 3.8160 2.2680 -1.2180 38 0 0 0 0 40 F1 X_XXX 0 0.0000 3.4480 2.4020 1.0330 38 0 0 0 0 41 F3 X_XXX 0 0.0000 5.5180 2.8650 0.1840 38 0 0 0 0 42 C7 C_ALI 0 0.0000 5.8020 0.2260 -0.8730 37 43 44 45 0 43 H7 H_ALI 0 0.0000 6.6870 0.8510 -0.7540 42 0 0 0 46 44 H7A H_ALI 0 0.0000 6.0810 -0.8230 -0.7650 42 0 0 0 46 45 H7B H_ALI 0 0.0000 5.3730 0.3880 -1.8620 42 0 0 0 46 46 Q5 PSEUD 0 0.0000 6.0470 0.1387 -1.1270 0 0 0 0 0 47 O6 O_HYD 0 0.0000 5.3340 0.3800 1.4930 37 48 0 0 0 48 HO6 H_OXY 0 0.0000 4.7340 0.5920 2.2210 47 0 0 0 0 49 H13 H_ALI 0 0.0000 3.3160 0.1860 -2.0430 35 0 0 0 52 50 H12 H_ALI 0 0.0000 1.3230 -1.2340 -2.3140 34 0 0 0 51 51 Q10 PSEUD 0 0.0000 1.4265 -1.7720 -0.2530 0 0 0 0 53 52 Q11 PSEUD 0 0.0000 3.4220 -0.3555 0.0170 0 0 0 0 53 53 QQA PSEUD 0 0.0000 2.4242 -1.0638 -0.1180 0 0 0 0 0 54 O15 O_XXX 0 0.0000 -0.1970 -3.2080 -1.8390 28 0 0 0 0 55 O16 O_XXX 0 0.0000 -0.0750 -3.8390 0.5760 28 0 0 0 0 56 H18 H_ALI 0 0.0000 -1.5070 -1.2210 -2.1310 26 0 0 0 58 57 H18A H_ALI 0 0.0000 -3.0960 -1.5850 -1.4080 26 0 0 0 58 58 Q6 PSEUD 0 0.0000 -2.3015 -1.4030 -1.7695 0 0 0 0 0 59 H19 H_ALI 0 0.0000 -1.2530 0.7440 -0.6990 25 0 0 0 61 60 H19A H_ALI 0 0.0000 -2.8290 0.8450 -1.5210 25 0 0 0 61 61 Q7 PSEUD 0 0.0000 -2.0410 0.7945 -1.1100 0 0 0 0 0 62 H23 H_ALI 0 0.0000 -2.3310 2.3530 0.7690 12 0 0 0 64 63 H23A H_ALI 0 0.0000 -3.5390 1.7710 1.9390 12 0 0 0 64 64 Q8 PSEUD 0 0.0000 -2.9350 2.0620 1.3540 0 0 0 0 0 65 N1 N_AMI 0 0.0000 -5.9740 0.7480 1.0680 2 66 67 0 0 66 HN1 H_AMI 0 0.0000 -6.8190 0.2720 1.0750 65 0 0 0 68 67 HN1A H_AMI 0 0.0000 -5.3960 0.7200 1.8470 65 0 0 0 68 68 Q9 PSEUD 0 0.0000 -6.1075 0.4960 1.4610 0 0 0 0 0