REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = (1R,3R,7E,17beta)-17-{(1R,2E,4R)-4-hydroxy-1-methyl-4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]but-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol RESIDUE NYA 32 103 1 103 1 CHI1 0 0 0.0000 12 1 2 3 11 2 CHI2 0 0 0.0000 1 2 3 4 8 3 CHI3 0 0 0.0000 2 3 4 5 7 4 CHI4 0 0 0.0000 2 1 12 13 25 5 CHI5 0 0 0.0000 1 12 13 14 22 6 CHI6 0 0 0.0000 12 13 14 15 17 7 CHI7 0 0 0.0000 12 13 18 19 21 8 PHI1 0 0 0.0000 2 1 27 31 0 9 PHI2 0 0 0.0000 1 27 31 32 0 10 PHI3 0 0 0.0000 27 31 32 36 0 11 CHI8 0 0 0.0000 31 32 33 34 34 12 PHI4 0 0 0.0000 31 32 36 38 0 13 PHI5 0 0 0.0000 36 38 40 47 0 14 CHI9 0 0 0.0000 38 40 41 42 45 15 PHI6 0 0 0.0000 38 40 47 57 0 16 CHI10 0 0 0.0000 40 47 48 49 55 17 CHI11 0 0 0.0000 47 48 49 50 52 18 PHI7 0 0 0.0000 40 47 57 75 0 19 CHI12 0 0 0.0000 47 57 58 59 69 20 CHI13 0 0 0.0000 57 58 59 60 66 21 CHI14 0 0 0.0000 58 59 60 61 63 22 CHI15 0 0 0.0000 47 57 70 71 74 23 PHI8 0 0 0.0000 47 57 75 77 0 24 PHI9 0 0 0.0000 57 75 77 78 0 25 PHI10 0 0 0.0000 77 78 80 82 0 26 CHI16 0 0 0.0000 80 82 83 84 95 27 CHI17 0 0 0.0000 82 83 84 85 92 28 CHI18 0 0 0.0000 83 84 85 86 89 29 CHI19 0 0 0.0000 83 84 90 91 91 30 PHI11 0 0 0.0000 80 82 96 100 0 31 PHI12 0 0 0.0000 82 96 100 102 0 32 PHI13 0 0 0.0000 96 100 102 103 0 1 C35 C_ALI 0 0.0000 -7.1300 0.2210 1.5160 2 12 26 27 0 2 C36 C_ALI 0 0.0000 -8.3870 0.5560 0.7100 1 3 9 10 0 3 C31 C_ALI 0 0.0000 -8.0560 1.6280 -0.3300 2 4 8 14 0 4 C30 C_ALI 0 0.0000 -6.9700 1.1060 -1.2730 3 5 6 31 0 5 H30 H_ALI 0 0.0000 -7.3280 0.2080 -1.7770 4 0 0 0 7 6 H30A H_ALI 0 0.0000 -6.7340 1.8690 -2.0140 4 0 0 0 7 7 Q1 PSEUD 0 0.0000 -7.0310 1.0385 -1.8955 0 0 0 0 0 8 H31 H_ALI 0 0.0000 -8.9520 1.8660 -0.9040 3 0 0 0 0 9 H36 H_ALI 0 0.0000 -8.7450 -0.3420 0.2060 2 0 0 0 11 10 H36A H_ALI 0 0.0000 -9.1610 0.9280 1.3820 2 0 0 0 11 11 Q2 PSEUD 0 0.0000 -8.9530 0.2930 0.7940 0 0 0 0 0 12 C38 C_ALI 0 0.0000 -6.6280 1.4810 2.2240 1 13 23 24 0 13 C33 C_ALI 0 0.0000 -6.2970 2.5530 1.1840 12 14 18 22 0 14 C32 C_ALI 0 0.0000 -7.5540 2.8880 0.3780 3 13 15 16 0 15 H32 H_ALI 0 0.0000 -7.3180 3.6510 -0.3630 14 0 0 0 17 16 H32A H_ALI 0 0.0000 -8.3280 3.2600 1.0500 14 0 0 0 17 17 Q3 PSEUD 0 0.0000 -7.8230 3.4555 0.3435 0 0 0 0 0 18 C34 C_ALI 0 0.0000 -5.2110 2.0310 0.2410 13 19 20 31 0 19 H34 H_ALI 0 0.0000 -4.9750 2.7950 -0.5000 18 0 0 0 21 20 H34A H_ALI 0 0.0000 -4.3150 1.7930 0.8150 18 0 0 0 21 21 Q4 PSEUD 0 0.0000 -4.6450 2.2940 0.1575 0 0 0 0 0 22 H33 H_ALI 0 0.0000 -5.9390 3.4510 1.6880 13 0 0 0 0 23 H38 H_ALI 0 0.0000 -7.4020 1.8530 2.8960 12 0 0 0 25 24 H38A H_ALI 0 0.0000 -5.7320 1.2430 2.7980 12 0 0 0 25 25 Q5 PSEUD 0 0.0000 -6.5670 1.5480 2.8470 0 0 0 0 0 26 H35 H_ALI 0 0.0000 -7.3660 -0.5420 2.2570 1 0 0 0 0 27 C37 C_ALI 0 0.0000 -6.0440 -0.3010 0.5730 1 28 29 31 0 28 H37 H_ALI 0 0.0000 -5.1490 -0.5390 1.1470 27 0 0 0 30 29 H37A H_ALI 0 0.0000 -6.4020 -1.1990 0.0690 27 0 0 0 30 30 Q6 PSEUD 0 0.0000 -5.7755 -0.8690 0.6080 0 0 0 0 0 31 C29 C_ALI 0 0.0000 -5.7130 0.7710 -0.4670 4 18 27 32 0 32 C24 C_ALI 0 0.0000 -4.6270 0.2490 -1.4100 31 33 35 36 0 33 O3 O_HYD 0 0.0000 -5.0960 -0.9280 -2.0710 32 34 0 0 0 34 HO3 H_OXY 0 0.0000 -5.3260 -1.6510 -1.4720 33 0 0 0 0 35 H24 H_ALI 0 0.0000 -4.3910 1.0120 -2.1510 32 0 0 0 0 36 C23 C_BYL 0 0.0000 -3.3890 -0.0810 -0.6170 32 37 38 0 0 37 H23 H_ALI 0 0.0000 -2.9380 0.6690 0.0160 36 0 0 0 0 38 C22 C_BYL 0 0.0000 -2.8600 -1.2770 -0.6950 36 39 40 0 0 39 H22 H_ALI 0 0.0000 -3.3110 -2.0260 -1.3270 38 0 0 0 0 40 C20 C_ALI 0 0.0000 -1.6220 -1.6060 0.0990 38 41 46 47 0 41 C21 C_ALI 0 0.0000 -1.9210 -2.7640 1.0530 40 42 43 44 0 42 H21 H_ALI 0 0.0000 -1.0250 -3.0030 1.6270 41 0 0 0 45 43 H21A H_ALI 0 0.0000 -2.7230 -2.4770 1.7330 41 0 0 0 45 44 H21B H_ALI 0 0.0000 -2.2280 -3.6380 0.4790 41 0 0 0 45 45 Q7 PSEUD 0 0.0000 -1.9920 -3.0393 1.2797 0 0 0 0 0 46 H20 H_ALI 0 0.0000 -1.3150 -0.7320 0.6730 40 0 0 0 0 47 C17 C_ALI 0 0.0000 -0.4970 -2.0100 -0.8560 40 48 56 57 0 48 C16 C_ALI 0 0.0000 -0.1520 -0.8360 -1.8090 47 49 53 54 0 49 C15 C_ALI 0 0.0000 1.3610 -0.5410 -1.6100 48 50 51 75 0 50 H15 H_ALI 0 0.0000 1.8320 -0.2800 -2.5580 49 0 0 0 52 51 H15A H_ALI 0 0.0000 1.5070 0.2500 -0.8750 49 0 0 0 52 52 Q8 PSEUD 0 0.0000 1.6695 -0.0150 -1.7165 0 0 0 0 0 53 H16 H_ALI 0 0.0000 -0.3450 -1.1240 -2.8430 48 0 0 0 55 54 H16A H_ALI 0 0.0000 -0.7420 0.0430 -1.5490 48 0 0 0 55 55 Q9 PSEUD 0 0.0000 -0.5435 -0.5405 -2.1960 0 0 0 0 0 56 H17 H_ALI 0 0.0000 -0.7830 -2.8910 -1.4290 47 0 0 0 0 57 C13 C_ALI 0 0.0000 0.7840 -2.2770 -0.0800 47 58 70 75 0 58 C12 C_ALI 0 0.0000 1.0660 -3.6900 0.3730 57 59 67 68 0 59 C11 C_ALI 0 0.0000 2.3500 -3.6580 1.2190 58 60 64 65 0 60 C9 C_ALI 0 0.0000 3.5370 -3.1150 0.4270 59 61 62 77 0 61 H9 H_ALI 0 0.0000 3.8440 -3.8540 -0.3130 60 0 0 0 63 62 H9A H_ALI 0 0.0000 4.3660 -2.9240 1.1080 60 0 0 0 63 63 Q10 PSEUD 0 0.0000 4.1050 -3.3890 0.3975 0 0 0 0 0 64 H11 H_ALI 0 0.0000 2.1850 -3.0250 2.0910 59 0 0 0 66 65 H11A H_ALI 0 0.0000 2.5800 -4.6700 1.5540 59 0 0 0 66 66 Q11 PSEUD 0 0.0000 2.3825 -3.8475 1.8225 0 0 0 0 0 67 H12 H_ALI 0 0.0000 0.2350 -4.0590 0.9750 58 0 0 0 69 68 H12A H_ALI 0 0.0000 1.2100 -4.3350 -0.4940 58 0 0 0 69 69 Q12 PSEUD 0 0.0000 0.7225 -4.1970 0.2405 0 0 0 0 0 70 C18 C_ALI 0 0.0000 0.8420 -1.3480 1.1340 57 71 72 73 0 71 H18 H_ALI 0 0.0000 0.0780 -1.6420 1.8530 70 0 0 0 74 72 H18A H_ALI 0 0.0000 1.8250 -1.4190 1.5990 70 0 0 0 74 73 H18B H_ALI 0 0.0000 0.6650 -0.3210 0.8140 70 0 0 0 74 74 Q13 PSEUD 0 0.0000 0.8560 -1.1273 1.4220 0 0 0 0 0 75 C14 C_ALI 0 0.0000 1.8990 -1.8740 -1.0860 49 57 76 77 0 76 H14 H_ALI 0 0.0000 1.9770 -2.6030 -1.8930 75 0 0 0 0 77 C8 C_BYL 0 0.0000 3.1640 -1.8210 -0.2820 60 75 78 0 0 78 C7 C_BYL 0 0.0000 3.9070 -0.7220 -0.1960 77 79 80 0 0 79 H7 H_ALI 0 0.0000 3.6050 0.1760 -0.7150 78 0 0 0 0 80 C6 C_BYL 0 0.0000 5.1390 -0.7290 0.6080 78 81 82 0 0 81 H6 H_ALI 0 0.0000 5.4900 -1.6490 1.0510 80 0 0 0 0 82 C5 C_BYL 0 0.0000 5.8190 0.3980 0.7900 80 83 96 0 0 83 C4 C_ALI 0 0.0000 5.2720 1.7160 0.2920 82 84 93 94 0 84 C3 C_ALI 0 0.0000 6.3180 2.3660 -0.6230 83 85 90 92 0 85 C2 C_BYL 0 0.0000 7.6490 2.3560 0.0830 84 86 100 0 0 86 C28 C_BYL 0 0.0000 8.3200 3.4660 0.2620 85 87 88 0 0 87 H28 H_ALI 0 0.0000 9.2750 3.4450 0.7660 86 0 0 0 89 88 H28A H_ALI 0 0.0000 7.9180 4.4040 -0.0940 86 0 0 0 89 89 Q14 PSEUD 0 0.0000 8.5965 3.9245 0.3360 0 0 0 0 0 90 O2 O_HYD 0 0.0000 5.9380 3.7150 -0.9040 84 91 0 0 0 91 HO2 H_OXY 0 0.0000 6.5560 4.1860 -1.4790 90 0 0 0 0 92 H3 H_ALI 0 0.0000 6.3910 1.8030 -1.5530 84 0 0 0 0 93 H4 H_ALI 0 0.0000 4.3530 1.5430 -0.2690 83 0 0 0 95 94 H4A H_ALI 0 0.0000 5.0690 2.3720 1.1380 83 0 0 0 95 95 Q15 PSEUD 0 0.0000 4.7110 1.9575 0.4345 0 0 0 0 0 96 C10 C_ALI 0 0.0000 7.1570 0.3840 1.4930 82 97 98 100 0 97 H10 H_ALI 0 0.0000 7.0870 0.9450 2.4250 96 0 0 0 99 98 H10A H_ALI 0 0.0000 7.4490 -0.6450 1.7040 96 0 0 0 99 99 Q16 PSEUD 0 0.0000 7.2680 0.1500 2.0645 0 0 0 0 0 100 C1 C_ALI 0 0.0000 8.1990 1.0370 0.5760 85 96 101 102 0 101 H1 H_ALI 0 0.0000 9.1200 1.2090 1.1330 100 0 0 0 0 102 O1 O_HYD 0 0.0000 8.4620 0.1800 -0.5380 100 103 0 0 0 103 HO1 H_OXY 0 0.0000 9.1130 0.5320 -1.1600 102 0 0 0 0