REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = "REIDISPONGIOLIDE A" RESIDUE RGA 56 178 1 178 1 CHI1 0 0 0.0000 1 2 3 4 111 2 CHI2 0 0 0.0000 3 4 5 6 109 3 CHI3 0 0 0.0000 5 6 7 8 11 4 CHI4 0 0 0.0000 5 6 12 13 108 5 CHI5 0 0 0.0000 6 12 13 14 105 6 CHI6 0 0 0.0000 12 13 14 15 19 7 CHI7 0 0 0.0000 13 14 15 16 19 8 CHI8 0 0 0.0000 12 13 20 21 104 9 CHI9 0 0 0.0000 13 20 21 22 101 10 CHI10 0 0 0.0000 21 22 23 24 24 11 CHI11 0 0 0.0000 20 21 26 27 101 12 CHI12 0 0 0.0000 21 26 27 28 98 13 CHI13 0 0 0.0000 26 27 29 30 97 14 CHI14 0 0 0.0000 27 29 30 31 34 15 CHI15 0 0 0.0000 27 29 35 36 96 16 CHI16 0 0 0.0000 29 35 36 37 41 17 CHI17 0 0 0.0000 35 36 37 38 41 18 CHI18 0 0 0.0000 29 35 42 43 95 19 CHI19 0 0 0.0000 35 42 43 44 92 20 CHI20 0 0 0.0000 42 43 44 45 49 21 CHI21 0 0 0.0000 43 44 45 46 49 22 CHI22 0 0 0.0000 42 43 50 51 91 23 CHI23 0 0 0.0000 50 51 52 53 89 24 CHI24 0 0 0.0000 51 52 53 54 57 25 CHI25 0 0 0.0000 51 52 58 59 88 26 CHI26 0 0 0.0000 52 58 59 60 64 27 CHI27 0 0 0.0000 58 59 60 61 64 28 CHI28 0 0 0.0000 52 58 65 66 87 29 CHI29 0 0 0.0000 58 65 66 67 84 30 CHI30 0 0 0.0000 65 66 67 68 72 31 CHI31 0 0 0.0000 66 67 68 69 72 32 CHI32 0 0 0.0000 65 66 73 74 83 33 CHI33 0 0 0.0000 73 74 75 76 81 34 CHI34 0 0 0.0000 74 75 76 77 80 35 PHI1 0 0 0.0000 1 2 112 113 0 36 PHI2 0 0 0.0000 2 112 113 115 0 37 PHI3 0 0 0.0000 112 113 115 122 0 38 CHI35 0 0 0.0000 113 115 116 117 120 39 PHI4 0 0 0.0000 113 115 122 130 0 40 CHI36 0 0 0.0000 115 122 123 124 128 41 CHI37 0 0 0.0000 122 123 124 125 128 42 PHI5 0 0 0.0000 115 122 130 137 0 43 CHI38 0 0 0.0000 122 130 131 132 135 44 PHI6 0 0 0.0000 122 130 137 141 0 45 PHI7 0 0 0.0000 130 137 141 145 0 46 PHI8 0 0 0.0000 137 141 145 147 0 47 PHI9 0 0 0.0000 141 145 147 154 0 48 CHI39 0 0 0.0000 145 147 148 149 152 49 PHI10 0 0 0.0000 145 147 154 162 0 50 CHI40 0 0 0.0000 147 154 155 156 160 51 CHI41 0 0 0.0000 154 155 156 157 160 52 PHI11 0 0 0.0000 147 154 162 166 0 53 PHI12 0 0 0.0000 154 162 166 168 0 54 PHI13 0 0 0.0000 166 168 170 176 0 55 CHI42 0 0 0.0000 168 170 171 172 175 56 PHI14 0 0 0.0000 168 170 176 178 0 1 O1 O_BYL 0 0.0000 0.0220 -0.2860 -3.0300 2 0 0 0 0 2 C1 C_BYL 0 0.0000 0.1450 -0.0280 -4.2130 1 3 112 0 0 3 C2 C_BYL 0 0.0000 -0.4300 1.1580 -4.7380 2 4 111 0 0 4 C3 C_BYL 0 0.0000 -1.1620 1.9590 -3.9310 3 5 110 0 0 5 C4 C_BYL 0 0.0000 -1.7730 3.1870 -4.4390 4 6 109 0 0 6 C5 C_BYL 0 0.0000 -2.6940 3.8110 -3.7020 5 7 12 0 0 7 C38 C_ALI 0 0.0000 -3.3390 5.0750 -4.2070 6 8 9 10 0 8 H381 H_ALI 0 0.0000 -2.8190 5.9380 -3.7920 7 0 0 0 11 9 H382 H_ALI 0 0.0000 -3.2800 5.1040 -5.2950 7 0 0 0 11 10 H383 H_ALI 0 0.0000 -4.3840 5.0980 -3.8990 7 0 0 0 11 11 Q1 PSEUD 0 0.0000 -3.4943 5.3800 -4.3287 0 0 0 0 0 12 C6 C_ALI 0 0.0000 -3.0870 3.2400 -2.3640 6 13 106 107 0 13 C7 C_ALI 0 0.0000 -3.8890 4.2700 -1.5670 12 14 20 105 0 14 O7 O_EST 0 0.0000 -3.7750 5.5490 -2.1940 13 15 0 0 0 15 C48 C_ALI 0 0.0000 -2.6350 6.1910 -1.6180 14 16 17 18 0 16 H481 H_ALI 0 0.0000 -2.7830 6.2990 -0.5440 15 0 0 0 19 17 H482 H_ALI 0 0.0000 -1.7460 5.5890 -1.8050 15 0 0 0 19 18 H483 H_ALI 0 0.0000 -2.5070 7.1760 -2.0680 15 0 0 0 19 19 Q2 PSEUD 0 0.0000 -2.3453 6.3547 -1.4723 0 0 0 0 0 20 C8 C_ALI 0 0.0000 -5.3590 3.8550 -1.5220 13 21 102 103 0 21 C9 C_BYL 0 0.0000 -5.7490 3.4880 -0.1090 20 22 26 0 0 22 C39 C_BYL 0 0.0000 -5.7860 4.4460 0.8040 21 23 25 0 0 23 C40 C_BYL 0 0.0000 -6.1570 4.1260 2.1990 22 24 28 0 0 24 O40 O_BYL 0 0.0000 -5.9800 4.9070 3.1130 23 0 0 0 0 25 H39 H_ALI 0 0.0000 -5.5450 5.4620 0.5300 22 0 0 0 0 26 C10 C_ALI 0 0.0000 -6.0800 2.0600 0.1970 21 27 99 100 0 27 C11 C_ALI 0 0.0000 -6.0350 1.7960 1.6990 26 28 29 98 0 28 O11 O_EST 0 0.0000 -6.7140 2.8920 2.3910 23 27 0 0 0 29 C12 C_ALI 0 0.0000 -6.7510 0.4790 2.0130 27 30 35 97 0 30 C41 C_ALI 0 0.0000 -7.8800 0.7390 3.0120 29 31 32 33 0 31 H411 H_ALI 0 0.0000 -7.4650 1.1550 3.9300 30 0 0 0 34 32 H412 H_ALI 0 0.0000 -8.5910 1.4450 2.5820 30 0 0 0 34 33 H413 H_ALI 0 0.0000 -8.3900 -0.1990 3.2360 30 0 0 0 34 34 Q3 PSEUD 0 0.0000 -8.1487 0.8003 3.2493 0 0 0 0 0 35 C13 C_ALI 0 0.0000 -5.7540 -0.5110 2.6160 29 36 42 96 0 36 O13 O_EST 0 0.0000 -6.1060 -0.7690 3.9770 35 37 0 0 0 37 C49 C_ALI 0 0.0000 -5.3200 0.1120 4.7810 36 38 39 40 0 38 H491 H_ALI 0 0.0000 -5.5130 -0.0890 5.8350 37 0 0 0 41 39 H492 H_ALI 0 0.0000 -4.2630 -0.0480 4.5690 37 0 0 0 41 40 H493 H_ALI 0 0.0000 -5.5840 1.1450 4.5540 37 0 0 0 41 41 Q4 PSEUD 0 0.0000 -5.1200 0.3360 4.9860 0 0 0 0 0 42 C14 C_ALI 0 0.0000 -5.7840 -1.8220 1.8260 35 43 93 94 0 43 C15 C_ALI 0 0.0000 -4.9700 -2.8820 2.5750 42 44 50 92 0 44 O15 O_EST 0 0.0000 -3.8770 -2.2550 3.2490 43 45 0 0 0 45 C50 C_ALI 0 0.0000 -3.9130 -2.7080 4.6040 44 46 47 48 0 46 H501 H_ALI 0 0.0000 -4.8820 -2.4690 5.0420 45 0 0 0 49 47 H502 H_ALI 0 0.0000 -3.7580 -3.7860 4.6310 45 0 0 0 49 48 H503 H_ALI 0 0.0000 -3.1260 -2.2130 5.1730 45 0 0 0 49 49 Q5 PSEUD 0 0.0000 -3.9220 -2.8227 4.9487 0 0 0 0 0 50 C16 C_BYL 0 0.0000 -4.4410 -3.8950 1.5940 43 51 91 0 0 51 C17 C_BYL 0 0.0000 -3.3630 -4.5840 1.8760 50 52 90 0 0 52 C18 C_ALI 0 0.0000 -2.8400 -5.5930 0.8860 51 53 58 89 0 53 C42 C_ALI 0 0.0000 -3.0170 -7.0030 1.4530 52 54 55 56 0 54 H421 H_ALI 0 0.0000 -2.4640 -7.0900 2.3890 53 0 0 0 57 55 H422 H_ALI 0 0.0000 -4.0740 -7.1920 1.6360 53 0 0 0 57 56 H423 H_ALI 0 0.0000 -2.6360 -7.7320 0.7370 53 0 0 0 57 57 Q6 PSEUD 0 0.0000 -3.0580 -7.3380 1.5873 0 0 0 0 0 58 C19 C_ALI 0 0.0000 -1.3560 -5.3280 0.6280 52 59 65 88 0 59 O19 O_EST 0 0.0000 -0.5740 -6.0040 1.6150 58 60 0 0 0 60 C51 C_ALI 0 0.0000 -0.2460 -5.0380 2.6150 59 61 62 63 0 61 H511 H_ALI 0 0.0000 0.1750 -4.1510 2.1400 60 0 0 0 64 62 H512 H_ALI 0 0.0000 -1.1460 -4.7630 3.1640 60 0 0 0 64 63 H513 H_ALI 0 0.0000 0.4850 -5.4620 3.3050 60 0 0 0 64 64 Q7 PSEUD 0 0.0000 -0.1620 -4.7920 2.8697 0 0 0 0 0 65 C20 C_ALI 0 0.0000 -0.9780 -5.8420 -0.7610 58 66 85 86 0 66 C21 C_ALI 0 0.0000 0.3860 -5.2750 -1.1600 65 67 73 84 0 67 O21 O_EST 0 0.0000 1.3400 -6.3360 -1.2380 66 68 0 0 0 68 C52 C_ALI 0 0.0000 2.0380 -6.3560 0.0090 67 69 70 71 0 69 H521 H_ALI 0 0.0000 2.8520 -7.0800 -0.0420 68 0 0 0 72 70 H522 H_ALI 0 0.0000 2.4450 -5.3660 0.2130 68 0 0 0 72 71 H523 H_ALI 0 0.0000 1.3500 -6.6380 0.8060 68 0 0 0 72 72 Q8 PSEUD 0 0.0000 2.2157 -6.3613 0.3257 0 0 0 0 0 73 C22 C_BYL 0 0.0000 0.2750 -4.5990 -2.5040 66 74 83 0 0 74 C23 C_BYL 0 0.0000 1.2460 -3.8310 -2.9340 73 75 82 0 0 75 C24 C_ALI 0 0.0000 1.1310 -3.1540 -4.2760 74 76 81 113 0 76 C43 C_ALI 0 0.0000 1.9930 -3.8980 -5.2970 75 77 78 79 0 77 H431 H_ALI 0 0.0000 3.0470 -3.7260 -5.0780 76 0 0 0 80 78 H432 H_ALI 0 0.0000 1.7810 -4.9660 -5.2430 76 0 0 0 80 79 H433 H_ALI 0 0.0000 1.7660 -3.5330 -6.2990 76 0 0 0 80 80 Q9 PSEUD 0 0.0000 2.1980 -4.0750 -5.5400 0 0 0 0 0 81 H24 H_ALI 0 0.0000 0.0910 -3.1660 -4.6010 75 0 0 0 0 82 H23 H_ALI 0 0.0000 2.1290 -3.6860 -2.3300 74 0 0 0 0 83 H22 H_ALI 0 0.0000 -0.6040 -4.7510 -3.1120 73 0 0 0 0 84 H21 H_ALI 0 0.0000 0.7100 -4.5490 -0.4140 66 0 0 0 0 85 H201 H_ALI 0 0.0000 -1.7290 -5.5240 -1.4840 65 0 0 0 87 86 H202 H_ALI 0 0.0000 -0.9280 -6.9310 -0.7450 65 0 0 0 87 87 Q10 PSEUD 0 0.0000 -1.3285 -6.2275 -1.1145 0 0 0 0 0 88 H19 H_ALI 0 0.0000 -1.1630 -4.2570 0.6840 58 0 0 0 0 89 H18 H_ALI 0 0.0000 -3.3930 -5.5050 -0.0490 52 0 0 0 0 90 H17 H_ALI 0 0.0000 -2.8500 -4.4300 2.8130 51 0 0 0 0 91 H16 H_ALI 0 0.0000 -4.9510 -4.0550 0.6550 50 0 0 0 0 92 H15 H_ALI 0 0.0000 -5.6080 -3.3810 3.3040 43 0 0 0 0 93 H141 H_ALI 0 0.0000 -5.3510 -1.6620 0.8380 42 0 0 0 95 94 H142 H_ALI 0 0.0000 -6.8150 -2.1610 1.7210 42 0 0 0 95 95 Q11 PSEUD 0 0.0000 -6.0830 -1.9115 1.2795 0 0 0 0 0 96 H13 H_ALI 0 0.0000 -4.7510 -0.0870 2.5760 35 0 0 0 0 97 H12 H_ALI 0 0.0000 -7.1660 0.0630 1.0950 29 0 0 0 0 98 H11 H_ALI 0 0.0000 -5.0000 1.7340 2.0370 27 0 0 0 0 99 H101 H_ALI 0 0.0000 -5.3600 1.4110 -0.3020 26 0 0 0 101 100 H102 H_ALI 0 0.0000 -7.0800 1.8370 -0.1760 26 0 0 0 101 101 Q12 PSEUD 0 0.0000 -6.2200 1.6240 -0.2390 0 0 0 0 0 102 H81 H_ALI 0 0.0000 -5.9800 4.6830 -1.8650 20 0 0 0 104 103 H82 H_ALI 0 0.0000 -5.5120 2.9960 -2.1740 20 0 0 0 104 104 Q13 PSEUD 0 0.0000 -5.7460 3.8395 -2.0195 0 0 0 0 0 105 H7 H_ALI 0 0.0000 -3.4970 4.3280 -0.5520 13 0 0 0 0 106 H61 H_ALI 0 0.0000 -2.1890 2.9720 -1.8080 12 0 0 0 108 107 H62 H_ALI 0 0.0000 -3.6960 2.3480 -2.5160 12 0 0 0 108 108 Q14 PSEUD 0 0.0000 -2.9425 2.6600 -2.1620 0 0 0 0 0 109 H4 H_ALI 0 0.0000 -1.4790 3.5880 -5.3960 5 0 0 0 0 110 H3 H_ALI 0 0.0000 -1.2900 1.6920 -2.8890 4 0 0 0 0 111 H2 H_ALI 0 0.0000 -0.2890 1.4140 -5.7760 3 0 0 0 0 112 O25 O_EST 0 0.0000 0.8270 -0.8720 -5.0150 2 113 0 0 0 113 C25 C_ALI 0 0.0000 1.6110 -1.7070 -4.1620 75 112 114 115 0 114 H25 H_ALI 0 0.0000 1.5090 -1.3710 -3.1310 113 0 0 0 0 115 C26 C_ALI 0 0.0000 3.0810 -1.6250 -4.5810 113 116 121 122 0 116 C44 C_ALI 0 0.0000 3.1770 -1.6300 -6.1080 115 117 118 119 0 117 H441 H_ALI 0 0.0000 4.1380 -1.2150 -6.4130 116 0 0 0 120 118 H442 H_ALI 0 0.0000 3.0910 -2.6530 -6.4740 116 0 0 0 120 119 H443 H_ALI 0 0.0000 2.3720 -1.0260 -6.5250 116 0 0 0 120 120 Q15 PSEUD 0 0.0000 3.2003 -1.6313 -6.4707 0 0 0 0 0 121 H26 H_ALI 0 0.0000 3.6210 -2.4830 -4.1800 115 0 0 0 0 122 C27 C_ALI 0 0.0000 3.6950 -0.3340 -4.0350 115 123 129 130 0 123 O27 O_EST 0 0.0000 2.9110 0.7830 -4.4600 122 124 0 0 0 124 C53 C_ALI 0 0.0000 3.6530 1.4410 -5.4890 123 125 126 127 0 125 H531 H_ALI 0 0.0000 4.5820 1.8320 -5.0740 124 0 0 0 128 126 H532 H_ALI 0 0.0000 3.8810 0.7300 -6.2830 124 0 0 0 128 127 H533 H_ALI 0 0.0000 3.0620 2.2620 -5.8940 124 0 0 0 128 128 Q16 PSEUD 0 0.0000 3.8417 1.6080 -5.7503 0 0 0 0 0 129 H27 H_ALI 0 0.0000 4.7120 -0.2290 -4.4120 122 0 0 0 0 130 C28 C_ALI 0 0.0000 3.7210 -0.3880 -2.5070 122 131 136 137 0 131 C45 C_ALI 0 0.0000 4.5420 -1.5970 -2.0520 130 132 133 134 0 132 H451 H_ALI 0 0.0000 4.5150 -1.6660 -0.9650 131 0 0 0 135 133 H452 H_ALI 0 0.0000 4.1220 -2.5050 -2.4850 131 0 0 0 135 134 H453 H_ALI 0 0.0000 5.5740 -1.4800 -2.3840 131 0 0 0 135 135 Q17 PSEUD 0 0.0000 4.7370 -1.8837 -1.9447 0 0 0 0 0 136 H28 H_ALI 0 0.0000 2.7020 -0.4780 -2.1290 130 0 0 0 0 137 C29 C_ALI 0 0.0000 4.3550 0.8930 -1.9620 130 138 139 141 0 138 H291 H_ALI 0 0.0000 5.4010 0.9390 -2.2660 137 0 0 0 140 139 H292 H_ALI 0 0.0000 3.8230 1.7580 -2.3570 137 0 0 0 140 140 Q18 PSEUD 0 0.0000 4.6120 1.3485 -2.3115 0 0 0 0 0 141 C30 C_ALI 0 0.0000 4.2680 0.8960 -0.4340 137 142 143 145 0 142 H301 H_ALI 0 0.0000 3.2220 0.8500 -0.1300 141 0 0 0 144 143 H302 H_ALI 0 0.0000 4.8000 0.0300 -0.0390 141 0 0 0 144 144 Q19 PSEUD 0 0.0000 4.0110 0.4400 -0.0845 0 0 0 0 0 145 C31 C_BYL 0 0.0000 4.8930 2.1580 0.1020 141 146 147 0 0 146 O31 O_BYL 0 0.0000 5.3590 2.9710 -0.6580 145 0 0 0 0 147 C32 C_ALI 0 0.0000 4.9350 2.4050 1.5880 145 148 153 154 0 148 C46 C_ALI 0 0.0000 3.6180 3.0400 2.0380 147 149 150 151 0 149 H461 H_ALI 0 0.0000 2.7920 2.3680 1.8040 148 0 0 0 152 150 H462 H_ALI 0 0.0000 3.6480 3.2190 3.1120 148 0 0 0 152 151 H463 H_ALI 0 0.0000 3.4740 3.9870 1.5160 148 0 0 0 152 152 Q20 PSEUD 0 0.0000 3.3047 3.1913 2.1440 0 0 0 0 0 153 H32 H_ALI 0 0.0000 5.0780 1.4580 2.1100 147 0 0 0 0 154 C33 C_ALI 0 0.0000 6.0940 3.3480 1.9160 147 155 161 162 0 155 O33 O_EST 0 0.0000 7.3250 2.7550 1.4960 154 156 0 0 0 156 C54 C_ALI 0 0.0000 8.1760 3.8230 1.0770 155 157 158 159 0 157 H541 H_ALI 0 0.0000 9.1610 3.4260 0.8280 156 0 0 0 160 158 H542 H_ALI 0 0.0000 7.7480 4.3060 0.1990 156 0 0 0 160 159 H543 H_ALI 0 0.0000 8.2710 4.5500 1.8830 156 0 0 0 160 160 Q21 PSEUD 0 0.0000 8.3933 4.0940 0.9700 0 0 0 0 0 161 H33 H_ALI 0 0.0000 5.9510 4.2950 1.3940 154 0 0 0 0 162 C34 C_ALI 0 0.0000 6.1370 3.5990 3.4250 154 163 164 166 0 163 H341 H_ALI 0 0.0000 6.9730 4.2580 3.6600 162 0 0 0 165 164 H342 H_ALI 0 0.0000 5.2050 4.0670 3.7420 162 0 0 0 165 165 Q22 PSEUD 0 0.0000 6.0890 4.1625 3.7010 0 0 0 0 0 166 C35 C_BYL 0 0.0000 6.3120 2.2880 4.1470 162 167 168 0 0 167 H35 H_ALI 0 0.0000 5.5970 1.4920 4.0010 166 0 0 0 0 168 C36 C_BYL 0 0.0000 7.3390 2.1130 4.9570 166 169 170 0 0 169 H36 H_ALI 0 0.0000 8.0540 2.9090 5.1020 168 0 0 0 0 170 N36 N_AMI 0 0.0000 7.5000 0.9020 5.6240 168 171 176 0 0 171 C47 C_ALI 0 0.0000 6.5300 -0.1780 5.4270 170 172 173 174 0 172 H471 H_ALI 0 0.0000 6.8200 -1.0410 6.0260 171 0 0 0 175 173 H472 H_ALI 0 0.0000 5.5410 0.1610 5.7330 171 0 0 0 175 174 H473 H_ALI 0 0.0000 6.5080 -0.4590 4.3740 171 0 0 0 175 175 Q23 PSEUD 0 0.0000 6.2897 -0.4463 5.3777 0 0 0 0 0 176 C37 C_BYL 0 0.0000 8.5490 0.7230 6.4510 170 177 178 0 0 177 H37 H_ALI 0 0.0000 9.2640 1.5190 6.5970 176 0 0 0 0 178 O37 O_BYL 0 0.0000 8.6900 -0.3330 7.0330 176 0 0 0 0