REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = "2ALPHA-(3-HYDROXYPROPOXY)-1ALPHA,25-DIHYDROXYVITAMIN D3" RESIDUE OCC 31 103 1 103 1 CHI1 0 0 0.0000 10 1 2 3 9 2 CHI2 0 0 0.0000 1 2 3 4 6 3 CHI3 0 0 0.0000 2 3 4 5 5 4 CHI4 0 0 0.0000 1 10 11 12 76 5 CHI5 0 0 0.0000 11 12 13 14 67 6 CHI6 0 0 0.0000 12 13 14 15 23 7 CHI7 0 0 0.0000 13 14 15 16 18 8 CHI8 0 0 0.0000 13 14 19 20 23 9 CHI9 0 0 0.0000 12 13 24 25 66 10 CHI10 0 0 0.0000 13 24 25 26 63 11 CHI11 0 0 0.0000 24 25 26 27 60 12 CHI12 0 0 0.0000 25 26 27 28 59 13 CHI13 0 0 0.0000 26 27 28 29 53 14 CHI14 0 0 0.0000 27 28 29 30 50 15 CHI15 0 0 0.0000 28 29 30 31 47 16 CHI16 0 0 0.0000 29 30 31 32 43 17 CHI17 0 0 0.0000 30 31 32 33 33 18 CHI18 0 0 0.0000 30 31 34 35 38 19 CHI19 0 0 0.0000 30 31 39 40 43 20 CHI20 0 0 0.0000 26 27 54 55 58 21 CHI21 0 0 0.0000 11 12 68 69 75 22 CHI22 0 0 0.0000 12 68 69 70 72 23 PHI1 0 0 0.0000 2 1 78 83 0 24 PHI2 0 0 0.0000 1 78 83 87 0 25 CHI23 0 0 0.0000 78 83 84 85 85 26 PHI3 0 0 0.0000 78 83 87 89 0 27 PHI4 0 0 0.0000 83 87 89 90 0 28 PHI5 0 0 0.0000 87 89 90 94 0 29 PHI6 0 0 0.0000 89 90 94 98 0 30 PHI7 0 0 0.0000 90 94 98 102 0 31 PHI8 0 0 0.0000 94 98 102 103 0 1 C5 C_BYL 0 0.0000 -3.2190 1.7820 -0.1250 2 10 78 0 0 2 C4 C_ALI 0 0.0000 -4.4850 2.2140 0.5880 1 3 7 8 0 3 C3 C_ALI 0 0.0000 -5.1100 0.9830 1.2510 2 4 6 87 0 4 O2 O_HYD 0 0.0000 -6.3340 1.3560 1.8860 3 5 0 0 0 5 HO2 H_OXY 0 0.0000 -6.1140 2.0260 2.5470 4 0 0 0 0 6 H3 H_ALI 0 0.0000 -4.4220 0.5840 1.9960 3 0 0 0 0 7 H41 H_ALI 0 0.0000 -4.2420 2.9570 1.3480 2 0 0 0 9 8 H42 H_ALI 0 0.0000 -5.1850 2.6390 -0.1320 2 0 0 0 9 9 Q1 PSEUD 0 0.0000 -4.7135 2.7980 0.6080 0 0 0 0 0 10 C6 C_BYL 0 0.0000 -2.0670 2.4730 -0.0020 1 11 77 0 0 11 C7 C_BYL 0 0.0000 -0.8650 2.0230 -0.7080 10 12 76 0 0 12 C8 C_BYL 0 0.0000 0.2740 2.7050 -0.5860 11 13 68 0 0 13 C14 C_ALI 0 0.0000 1.5360 2.2930 -1.2840 12 14 24 67 0 14 C13 C_ALI 0 0.0000 2.5980 2.0880 -0.1650 13 15 19 26 0 15 C12 C_ALI 0 0.0000 2.8600 3.4290 0.4710 14 16 17 69 0 16 H121 H_ALI 0 0.0000 3.1030 4.1550 -0.3040 15 0 0 0 18 17 H122 H_ALI 0 0.0000 3.6870 3.3470 1.1760 15 0 0 0 18 18 Q2 PSEUD 0 0.0000 3.3950 3.7510 0.4360 0 0 0 0 0 19 C18 C_ALI 0 0.0000 2.0010 1.1420 0.8790 14 20 21 22 0 20 H181 H_ALI 0 0.0000 1.0720 1.5630 1.2620 19 0 0 0 23 21 H182 H_ALI 0 0.0000 1.7990 0.1750 0.4180 19 0 0 0 23 22 H183 H_ALI 0 0.0000 2.7070 1.0130 1.6990 19 0 0 0 23 23 Q3 PSEUD 0 0.0000 1.8593 0.9170 1.1263 0 0 0 0 0 24 C15 C_ALI 0 0.0000 1.5340 0.9160 -1.9510 13 25 64 65 0 25 C16 C_ALI 0 0.0000 3.0470 0.5630 -2.0150 24 26 61 62 0 26 C17 C_ALI 0 0.0000 3.7330 1.3820 -0.8900 14 25 27 60 0 27 C20 C_ALI 0 0.0000 4.4760 0.4490 0.0680 26 28 54 59 0 28 C22 C_ALI 0 0.0000 5.5900 -0.2780 -0.6890 27 29 51 52 0 29 C23 C_ALI 0 0.0000 6.2520 -1.3010 0.2360 28 30 48 49 0 30 C24 C_ALI 0 0.0000 7.3650 -2.0270 -0.5210 29 31 45 46 0 31 C25 C_ALI 0 0.0000 8.0280 -3.0500 0.4040 30 32 34 39 0 32 O25 O_HYD 0 0.0000 7.0810 -4.0640 0.7490 31 33 0 0 0 33 H25 H_OXY 0 0.0000 6.8030 -4.4790 -0.0780 32 0 0 0 0 34 C27 C_ALI 0 0.0000 9.2200 -3.6880 -0.3120 31 35 36 37 0 35 H271 H_ALI 0 0.0000 9.9420 -2.9150 -0.5750 34 0 0 0 38 36 H272 H_ALI 0 0.0000 9.6920 -4.4170 0.3470 34 0 0 0 38 37 H273 H_ALI 0 0.0000 8.8750 -4.1870 -1.2170 34 0 0 0 38 38 Q4 PSEUD 0 0.0000 9.5030 -3.8397 -0.4817 0 0 0 0 44 39 C26 C_ALI 0 0.0000 8.5110 -2.3500 1.6750 31 40 41 42 0 40 H261 H_ALI 0 0.0000 7.6620 -1.8950 2.1850 39 0 0 0 43 41 H262 H_ALI 0 0.0000 8.9830 -3.0790 2.3350 39 0 0 0 43 42 H263 H_ALI 0 0.0000 9.2330 -1.5770 1.4120 39 0 0 0 43 43 Q5 PSEUD 0 0.0000 8.6260 -2.1837 1.9773 0 0 0 0 44 44 QQA PSEUD 0 0.0000 9.0645 -3.0117 0.7478 0 0 0 0 0 45 H241 H_ALI 0 0.0000 6.9420 -2.5400 -1.3850 30 0 0 0 47 46 H242 H_ALI 0 0.0000 8.1090 -1.3040 -0.8550 30 0 0 0 47 47 Q6 PSEUD 0 0.0000 7.5255 -1.9220 -1.1200 0 0 0 0 0 48 H231 H_ALI 0 0.0000 6.6750 -0.7880 1.1000 29 0 0 0 50 49 H232 H_ALI 0 0.0000 5.5080 -2.0240 0.5700 29 0 0 0 50 50 Q7 PSEUD 0 0.0000 6.0915 -1.4060 0.8350 0 0 0 0 0 51 H221 H_ALI 0 0.0000 5.1670 -0.7900 -1.5530 28 0 0 0 53 52 H222 H_ALI 0 0.0000 6.3340 0.4450 -1.0230 28 0 0 0 53 53 Q8 PSEUD 0 0.0000 5.7505 -0.1725 -1.2880 0 0 0 0 0 54 C21 C_ALI 0 0.0000 5.0860 1.2690 1.2080 27 55 56 57 0 55 H211 H_ALI 0 0.0000 5.7830 1.9990 0.7970 54 0 0 0 58 56 H212 H_ALI 0 0.0000 4.2930 1.7860 1.7470 54 0 0 0 58 57 H213 H_ALI 0 0.0000 5.6160 0.6040 1.8900 54 0 0 0 58 58 Q9 PSEUD 0 0.0000 5.2307 1.4630 1.4780 0 0 0 0 0 59 H20 H_ALI 0 0.0000 3.7790 -0.2820 0.4790 27 0 0 0 0 60 H17 H_ALI 0 0.0000 4.4210 2.1110 -1.3180 26 0 0 0 0 61 H161 H_ALI 0 0.0000 3.4560 0.8430 -2.9850 25 0 0 0 63 62 H162 H_ALI 0 0.0000 3.1900 -0.5040 -1.8420 25 0 0 0 63 63 Q10 PSEUD 0 0.0000 3.3230 0.1695 -2.4135 0 0 0 0 0 64 H151 H_ALI 0 0.0000 1.1080 0.9730 -2.9530 24 0 0 0 66 65 H152 H_ALI 0 0.0000 0.9930 0.1920 -1.3420 24 0 0 0 66 66 Q11 PSEUD 0 0.0000 1.0505 0.5825 -2.1475 0 0 0 0 0 67 H14 H_ALI 0 0.0000 1.8560 3.0620 -1.9860 13 0 0 0 0 68 C9 C_ALI 0 0.0000 0.3860 3.9580 0.2710 12 69 73 74 0 69 C11 C_ALI 0 0.0000 1.5840 3.8640 1.2130 15 68 70 71 0 70 H111 H_ALI 0 0.0000 1.7540 4.8380 1.6700 69 0 0 0 72 71 H112 H_ALI 0 0.0000 1.3640 3.1380 1.9960 69 0 0 0 72 72 Q12 PSEUD 0 0.0000 1.5590 3.9880 1.8330 0 0 0 0 0 73 H91 H_ALI 0 0.0000 0.5060 4.8260 -0.3770 68 0 0 0 75 74 H92 H_ALI 0 0.0000 -0.5250 4.0740 0.8590 68 0 0 0 75 75 Q13 PSEUD 0 0.0000 -0.0095 4.4500 0.2410 0 0 0 0 0 76 H7 H_ALI 0 0.0000 -0.9010 1.1380 -1.3260 11 0 0 0 0 77 H6 H_ALI 0 0.0000 -2.0310 3.3570 0.6170 10 0 0 0 0 78 C10 C_BYL 0 0.0000 -3.3100 0.5710 -0.9670 1 79 83 0 0 79 C19 C_BYL 0 0.0000 -2.7490 0.5100 -2.1750 78 80 81 0 0 80 H191 H_ALI 0 0.0000 -2.8290 -0.3930 -2.7620 79 0 0 0 82 81 H192 H_ALI 0 0.0000 -2.2140 1.3630 -2.5650 79 0 0 0 82 82 Q14 PSEUD 0 0.0000 -2.5215 0.4850 -2.6635 0 0 0 0 0 83 C1 C_ALI 0 0.0000 -4.0720 -0.6070 -0.3820 78 84 86 87 0 84 O1 O_HYD 0 0.0000 -3.3000 -1.2180 0.6540 83 85 0 0 0 85 HO1 H_OXY 0 0.0000 -2.4810 -1.5300 0.2460 84 0 0 0 0 86 H1 H_ALI 0 0.0000 -4.2760 -1.3360 -1.1670 83 0 0 0 0 87 C2 C_ALI 0 0.0000 -5.3920 -0.0870 0.1950 3 83 88 89 0 88 H2 H_ALI 0 0.0000 -5.9930 0.3440 -0.6060 87 0 0 0 0 89 O28 O_EST 0 0.0000 -6.1060 -1.1700 0.7950 87 90 0 0 0 90 C29 C_ALI 0 0.0000 -6.9270 -1.7390 -0.2260 89 91 92 94 0 91 H291 H_ALI 0 0.0000 -7.6160 -0.9830 -0.6020 90 0 0 0 93 92 H292 H_ALI 0 0.0000 -6.2980 -2.0950 -1.0420 90 0 0 0 93 93 Q15 PSEUD 0 0.0000 -6.9570 -1.5390 -0.8220 0 0 0 0 0 94 C30 C_ALI 0 0.0000 -7.7230 -2.9110 0.3530 90 95 96 98 0 95 H301 H_ALI 0 0.0000 -7.0340 -3.6670 0.7290 94 0 0 0 97 96 H302 H_ALI 0 0.0000 -8.3520 -2.5550 1.1690 94 0 0 0 97 97 Q16 PSEUD 0 0.0000 -7.6930 -3.1110 0.9490 0 0 0 0 0 98 C31 C_ALI 0 0.0000 -8.6020 -3.5200 -0.7400 94 99 100 102 0 99 H311 H_ALI 0 0.0000 -9.2910 -2.7640 -1.1160 98 0 0 0 101 100 H312 H_ALI 0 0.0000 -7.9740 -3.8760 -1.5560 98 0 0 0 101 101 Q17 PSEUD 0 0.0000 -8.6325 -3.3200 -1.3360 0 0 0 0 0 102 O32 O_HYD 0 0.0000 -9.3450 -4.6140 -0.1990 98 103 0 0 0 103 H32 H_OXY 0 0.0000 -9.8850 -4.9690 -0.9190 102 0 0 0 0