REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = (11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN-4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDINE RESIDUE A736 14 70 1 70 1 CHI1 0 0 0.0000 5 6 17 18 35 2 CHI2 0 0 0.0000 6 17 18 19 27 3 CHI3 0 0 0.0000 17 18 19 20 24 4 CHI4 0 0 0.0000 18 19 20 21 21 5 CHI5 0 0 0.0000 6 17 28 29 35 6 CHI6 0 0 0.0000 17 28 29 30 32 7 PHI1 0 0 0.0000 8 42 44 54 0 8 CHI7 0 0 0.0000 42 44 45 46 52 9 CHI8 0 0 0.0000 44 45 46 47 49 10 PHI2 0 0 0.0000 42 44 54 58 0 11 PHI3 0 0 0.0000 44 54 58 62 0 12 PHI4 0 0 0.0000 54 58 62 63 0 13 PHI5 0 0 0.0000 58 62 63 70 0 14 CHI9 0 0 0.0000 62 63 65 66 69 1 C1 C_ARO 0 0.0000 0.2510 -5.0290 0.3190 2 39 40 0 0 2 C6 C_ARO 0 0.0000 0.7830 -4.8930 1.5900 1 3 38 0 0 3 C5 C_ARO 0 0.0000 1.0380 -3.6270 2.0810 2 4 37 0 0 4 C4 C_ARO 0 0.0000 0.7460 -2.5210 1.2640 3 5 41 0 0 5 C13 C_BYL 0 0.0000 1.0000 -1.1740 1.7720 4 6 36 0 0 6 C12 C_BYL 0 0.0000 1.5060 -0.1620 1.0850 5 7 17 0 0 7 C11 C_ARO 0 0.0000 1.9120 -0.1880 -0.3260 6 8 15 0 0 8 C10 C_ARO 0 0.0000 1.1610 -0.8520 -1.2900 7 9 42 0 0 9 C18 C_ARO 0 0.0000 1.5680 -0.8330 -2.6120 8 10 14 0 0 10 C19 C_ARO 0 0.0000 2.7200 -0.1650 -2.9810 9 11 13 0 0 11 C20 C_ARO 0 0.0000 3.4780 0.4930 -2.0260 10 12 15 0 0 12 CL40 C_XXX 0 0.0000 4.9270 1.3270 -2.4920 11 0 0 0 0 13 H19 H_ALI 0 0.0000 3.0300 -0.1550 -4.0160 10 0 0 0 0 14 H18 H_ALI 0 0.0000 0.9820 -1.3450 -3.3610 9 0 0 0 0 15 C21 C_ARO 0 0.0000 3.0810 0.4850 -0.7060 7 11 16 0 0 16 H21 H_ALI 0 0.0000 3.6730 0.9980 0.0370 15 0 0 0 0 17 N1 N_AMO 0 0.0000 1.6690 1.0400 1.7650 6 18 28 0 0 18 C2 C_ALI 0 0.0000 2.5540 1.1360 2.9370 17 19 25 26 0 19 C8 C_ALI 0 0.0000 3.4700 2.3490 2.7520 18 20 22 23 0 20 N3 N_AMO 0 0.0000 2.6570 3.5520 2.5410 19 21 29 0 0 21 HN3 H_AMI 0 0.0000 3.3010 4.3230 2.4410 20 0 0 0 0 22 H81 H_ALI 0 0.0000 4.0850 2.4790 3.6430 19 0 0 0 24 23 H82 H_ALI 0 0.0000 4.1140 2.1900 1.8870 19 0 0 0 24 24 Q1 PSEUD 0 0.0000 4.0995 2.3345 2.7650 0 0 0 0 0 25 H21A H_ALI 0 0.0000 1.9550 1.2620 3.8390 18 0 0 0 27 26 H22 H_ALI 0 0.0000 3.1550 0.2310 3.0180 18 0 0 0 27 27 Q2 PSEUD 0 0.0000 2.5550 0.7465 3.4285 0 0 0 0 0 28 C7 C_ALI 0 0.0000 0.9660 2.2580 1.3310 17 29 33 34 0 29 C14 C_ALI 0 0.0000 1.9770 3.4010 1.2500 20 28 30 31 0 30 H141 H_ALI 0 0.0000 1.4600 4.3280 1.0010 29 0 0 0 32 31 H142 H_ALI 0 0.0000 2.7120 3.1770 0.4760 29 0 0 0 32 32 Q3 PSEUD 0 0.0000 2.0860 3.7525 0.7385 0 0 0 0 0 33 H71 H_ALI 0 0.0000 0.5160 2.0960 0.3520 28 0 0 0 35 34 H72 H_ALI 0 0.0000 0.1910 2.5060 2.0560 28 0 0 0 35 35 Q4 PSEUD 0 0.0000 0.3535 2.3010 1.2040 0 0 0 0 0 36 H13 H_ALI 0 0.0000 0.7520 -0.9870 2.8060 5 0 0 0 0 37 H5 H_ALI 0 0.0000 1.4530 -3.4910 3.0680 3 0 0 0 0 38 H6 H_ALI 0 0.0000 0.9950 -5.7660 2.1900 2 0 0 0 0 39 H1 H_ALI 0 0.0000 0.0460 -6.0160 -0.0680 1 0 0 0 0 40 N2 N_AMI 0 0.0000 -0.0080 -3.9740 -0.4250 1 41 0 0 0 41 C3 C_ARO 0 0.0000 0.2210 -2.7410 -0.0060 4 40 42 0 0 42 C9 C_ALI 0 0.0000 -0.0910 -1.5950 -0.9250 8 41 43 44 0 43 H9 H_ALI 0 0.0000 -0.5570 -1.9800 -1.8330 42 0 0 0 0 44 C24 C_ALI 0 0.0000 -1.0600 -0.6380 -0.2280 42 45 53 54 0 45 C29 C_ALI 0 0.0000 -2.3440 -1.3880 0.1350 44 46 50 51 0 46 C28 C_ALI 0 0.0000 -3.2980 -0.4330 0.8690 45 47 48 62 0 47 H281 H_ALI 0 0.0000 -2.8580 -0.1380 1.8220 46 0 0 0 49 48 H282 H_ALI 0 0.0000 -4.2520 -0.9300 1.0420 46 0 0 0 49 49 Q5 PSEUD 0 0.0000 -3.5550 -0.5340 1.4320 0 0 0 0 0 50 H291 H_ALI 0 0.0000 -2.8210 -1.7540 -0.7740 45 0 0 0 52 51 H292 H_ALI 0 0.0000 -2.1030 -2.2290 0.7840 45 0 0 0 52 52 Q6 PSEUD 0 0.0000 -2.4620 -1.9915 0.0050 0 0 0 0 0 53 H24 H_ALI 0 0.0000 -0.5970 -0.2510 0.6800 44 0 0 0 0 54 C25 C_ALI 0 0.0000 -1.3930 0.5240 -1.1660 44 55 56 58 0 55 H251 H_ALI 0 0.0000 -1.8780 0.1400 -2.0630 54 0 0 0 57 56 H252 H_ALI 0 0.0000 -0.4750 1.0430 -1.4420 54 0 0 0 57 57 Q7 PSEUD 0 0.0000 -1.1765 0.5915 -1.7525 0 0 0 0 0 58 C26 C_ALI 0 0.0000 -2.3350 1.4970 -0.4510 54 59 60 62 0 59 H261 H_ALI 0 0.0000 -2.6540 2.2740 -1.1470 58 0 0 0 61 60 H262 H_ALI 0 0.0000 -1.8190 1.9510 0.3950 58 0 0 0 61 61 Q8 PSEUD 0 0.0000 -2.2365 2.1125 -0.3760 0 0 0 0 0 62 N27 N_AMI 0 0.0000 -3.5080 0.7540 0.0280 46 58 63 0 0 63 S1 S_XXX 0 0.0000 -5.0390 1.2480 -0.3650 62 64 65 70 0 64 O1 O_XXX 0 0.0000 -4.8740 2.6420 -0.5850 63 0 0 0 0 65 C15 C_ALI 0 0.0000 -5.3740 0.3620 -1.9130 63 66 67 68 0 66 H151 H_ALI 0 0.0000 -4.6370 0.6490 -2.6620 65 0 0 0 69 67 H152 H_ALI 0 0.0000 -5.3140 -0.7120 -1.7370 65 0 0 0 69 68 H153 H_ALI 0 0.0000 -6.3730 0.6170 -2.2680 65 0 0 0 69 69 Q9 PSEUD 0 0.0000 -5.4413 0.1847 -2.2223 0 0 0 0 0 70 O2 O_XXX 0 0.0000 -5.8200 0.7400 0.7080 63 0 0 0 0