REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = "BENZYL-CARBAMIC ACID [8-DEETHYL-ASCOMYCIN-8-YL]ETHYL ESTER" RESIDUE FKA 54 168 1 168 1 CHI1 0 0 0.0000 83 1 2 3 82 2 CHI2 0 0 0.0000 1 2 4 5 82 3 CHI3 0 0 0.0000 2 4 5 6 12 4 CHI4 0 0 0.0000 4 5 6 7 9 5 CHI5 0 0 0.0000 2 4 13 14 81 6 CHI6 0 0 0.0000 4 13 14 15 21 7 CHI7 0 0 0.0000 13 14 15 16 18 8 CHI8 0 0 0.0000 4 13 22 23 81 9 CHI9 0 0 0.0000 13 22 24 25 81 10 CHI10 0 0 0.0000 22 24 26 27 81 11 CHI11 0 0 0.0000 24 26 27 28 37 12 CHI12 0 0 0.0000 26 27 28 29 31 13 CHI13 0 0 0.0000 26 27 32 33 36 14 CHI14 0 0 0.0000 24 26 38 39 79 15 CHI15 0 0 0.0000 26 38 39 40 79 16 CHI16 0 0 0.0000 38 39 40 41 47 17 CHI17 0 0 0.0000 39 40 41 42 46 18 CHI18 0 0 0.0000 40 41 42 43 46 19 CHI19 0 0 0.0000 38 39 48 49 78 20 CHI20 0 0 0.0000 39 48 49 50 54 21 CHI21 0 0 0.0000 48 49 50 51 54 22 CHI22 0 0 0.0000 39 48 55 56 77 23 CHI23 0 0 0.0000 48 55 56 57 74 24 CHI24 0 0 0.0000 55 56 57 58 61 25 CHI25 0 0 0.0000 55 56 62 63 73 26 CHI26 0 0 0.0000 56 62 63 64 70 27 CHI27 0 0 0.0000 62 63 64 65 68 28 CHI28 0 0 0.0000 24 26 80 81 81 29 PHI1 0 0 0.0000 2 1 83 119 0 30 CHI29 0 0 0.0000 1 83 84 85 117 31 CHI30 0 0 0.0000 83 84 85 86 89 32 CHI31 0 0 0.0000 84 90 91 92 116 33 CHI32 0 0 0.0000 90 91 92 93 103 34 CHI33 0 0 0.0000 91 92 93 94 100 35 CHI34 0 0 0.0000 92 93 94 95 99 36 CHI35 0 0 0.0000 93 94 95 96 99 37 CHI36 0 0 0.0000 90 91 104 105 115 38 CHI37 0 0 0.0000 91 104 105 106 112 39 CHI38 0 0 0.0000 104 105 106 107 109 40 CHI39 0 0 0.0000 105 106 107 108 108 41 PHI2 0 0 0.0000 1 83 119 126 0 42 CHI40 0 0 0.0000 83 119 120 121 124 43 PHI3 0 0 0.0000 83 119 126 130 0 44 CHI41 0 0 0.0000 119 126 127 128 128 45 PHI4 0 0 0.0000 119 126 130 134 0 46 PHI5 0 0 0.0000 126 130 134 136 0 47 PHI6 0 0 0.0000 130 134 136 138 0 48 PHI7 0 0 0.0000 134 136 138 142 0 49 PHI8 0 0 0.0000 136 138 142 146 0 50 PHI9 0 0 0.0000 138 142 146 147 0 51 PHI10 0 0 0.0000 142 146 147 149 0 52 PHI11 0 0 0.0000 146 147 149 151 0 53 PHI12 0 0 0.0000 147 149 151 155 0 54 PHI13 0 0 0.0000 149 151 155 164 0 1 O1 O_EST 0 0.0000 1.8950 1.7600 2.5180 2 83 0 0 0 2 C1 C_BYL 0 0.0000 2.3230 0.8630 3.4100 1 3 4 0 0 3 O2 O_BYL 0 0.0000 2.5490 -0.2800 3.0800 2 0 0 0 0 4 C2 C_ALI 0 0.0000 2.5540 1.2870 4.8360 2 5 13 82 0 5 C3 C_ALI 0 0.0000 3.8370 0.6180 5.3560 4 6 10 11 0 6 C4 C_ALI 0 0.0000 4.0600 1.0600 6.8050 5 7 8 15 0 7 H41 H_ALI 0 0.0000 4.9850 0.6220 7.1790 6 0 0 0 9 8 H42 H_ALI 0 0.0000 4.1240 2.1470 6.8490 6 0 0 0 9 9 Q1 PSEUD 0 0.0000 4.5545 1.3845 7.0140 0 0 0 0 0 10 H31A H_ALI 0 0.0000 3.7200 -0.4650 5.3210 5 0 0 0 12 11 H32 H_ALI 0 0.0000 4.6810 0.9210 4.7440 5 0 0 0 12 12 Q2 PSEUD 0 0.0000 4.2005 0.2280 5.0325 0 0 0 0 0 13 N1 N_AMO 0 0.0000 1.4400 0.8970 5.7150 4 14 22 0 0 14 C6 C_ALI 0 0.0000 1.5880 1.2200 7.1470 13 15 19 20 0 15 C5 C_ALI 0 0.0000 2.8830 0.5780 7.6580 6 14 16 17 0 16 H51 H_ALI 0 0.0000 2.8020 -0.5070 7.5820 15 0 0 0 18 17 H52 H_ALI 0 0.0000 3.0460 0.8580 8.6970 15 0 0 0 18 18 Q3 PSEUD 0 0.0000 2.9240 0.1755 8.1395 0 0 0 0 0 19 H61 H_ALI 0 0.0000 0.7540 0.8200 7.7210 14 0 0 0 21 20 H62 H_ALI 0 0.0000 1.6360 2.3020 7.2740 14 0 0 0 21 21 Q4 PSEUD 0 0.0000 1.1950 1.5610 7.4975 0 0 0 0 0 22 C7 C_BYL 0 0.0000 0.3350 0.2980 5.2450 13 23 24 0 0 23 O3 O_BYL 0 0.0000 0.3070 -0.1330 4.1070 22 0 0 0 0 24 C8 C_BYL 0 0.0000 -0.9080 0.1730 6.0600 22 25 26 0 0 25 O4 O_BYL 0 0.0000 -1.0540 0.7900 7.0820 24 0 0 0 0 26 C9 C_ALI 0 0.0000 -2.0180 -0.7360 5.5790 24 27 38 80 0 27 C10 C_ALI 0 0.0000 -2.7610 -1.3140 6.7840 26 28 32 37 0 28 C11 C_ALI 0 0.0000 -3.8900 -2.2220 6.2720 27 29 30 40 0 29 H111 H_ALI 0 0.0000 -4.4860 -2.5790 7.1120 28 0 0 0 31 30 H112 H_ALI 0 0.0000 -3.4690 -3.0700 5.7320 28 0 0 0 31 31 Q5 PSEUD 0 0.0000 -3.9775 -2.8245 6.4220 0 0 0 0 0 32 C34 C_ALI 0 0.0000 -1.8010 -2.1540 7.6350 27 33 34 35 0 33 H341 H_ALI 0 0.0000 -2.3430 -2.5820 8.4790 32 0 0 0 36 34 H342 H_ALI 0 0.0000 -1.3830 -2.9560 7.0270 32 0 0 0 36 35 H343 H_ALI 0 0.0000 -0.9950 -1.5210 8.0050 32 0 0 0 36 36 Q6 PSEUD 0 0.0000 -1.5737 -2.3530 7.8370 0 0 0 0 0 37 H10 H_ALI 0 0.0000 -3.1810 -0.5130 7.3880 27 0 0 0 0 38 O5 O_EST 0 0.0000 -2.9000 0.0300 4.7680 26 39 0 0 0 39 C13 C_ALI 0 0.0000 -3.9030 -0.8120 4.2140 38 40 48 79 0 40 C12 C_ALI 0 0.0000 -4.7740 -1.3940 5.3300 28 39 41 47 0 41 O7 O_EST 0 0.0000 -5.7830 -2.2320 4.7610 40 42 0 0 0 42 C42 C_ALI 0 0.0000 -6.9130 -2.1680 5.6330 41 43 44 45 0 43 H421 H_ALI 0 0.0000 -7.7130 -2.7940 5.2380 42 0 0 0 46 44 H422 H_ALI 0 0.0000 -6.6280 -2.5240 6.6230 42 0 0 0 46 45 H423 H_ALI 0 0.0000 -7.2600 -1.1370 5.7040 42 0 0 0 46 46 Q7 PSEUD 0 0.0000 -7.2003 -2.1517 5.8550 0 0 0 0 0 47 H12 H_ALI 0 0.0000 -5.2430 -0.5830 5.8850 40 0 0 0 0 48 C14 C_ALI 0 0.0000 -4.7880 0.0380 3.2890 39 49 55 78 0 49 O8 O_EST 0 0.0000 -5.0110 1.3000 3.9550 48 50 0 0 0 50 C43 C_ALI 0 0.0000 -6.2910 1.7710 3.5300 49 51 52 53 0 51 H431 H_ALI 0 0.0000 -6.5040 2.7260 4.0090 50 0 0 0 54 52 H432 H_ALI 0 0.0000 -6.2890 1.9000 2.4470 50 0 0 0 54 53 H433 H_ALI 0 0.0000 -7.0560 1.0460 3.8080 50 0 0 0 54 54 Q8 PSEUD 0 0.0000 -6.6163 1.8907 3.4213 0 0 0 0 0 55 C15 C_ALI 0 0.0000 -4.0650 0.3190 1.9860 48 56 75 76 0 56 C16 C_ALI 0 0.0000 -4.4080 -0.5870 0.8190 55 57 62 74 0 57 C35 C_ALI 0 0.0000 -5.7040 -1.3660 1.0070 56 58 59 60 0 58 H351 H_ALI 0 0.0000 -5.8820 -1.9910 0.1330 57 0 0 0 61 59 H352 H_ALI 0 0.0000 -5.6240 -1.9950 1.8940 57 0 0 0 61 60 H353 H_ALI 0 0.0000 -6.5320 -0.6680 1.1300 57 0 0 0 61 61 Q9 PSEUD 0 0.0000 -6.0127 -1.5513 1.0523 0 0 0 0 0 62 C17 C_ALI 0 0.0000 -4.5350 0.2630 -0.4520 56 63 71 72 0 63 C18 C_BYL 0 0.0000 -3.4670 -0.1130 -1.4500 62 64 69 0 0 64 C36 C_ALI 0 0.0000 -3.4560 -1.5050 -2.0240 63 65 66 67 0 65 H361 H_ALI 0 0.0000 -2.5790 -1.6280 -2.6600 64 0 0 0 68 66 H362 H_ALI 0 0.0000 -3.4220 -2.2320 -1.2130 64 0 0 0 68 67 H363 H_ALI 0 0.0000 -4.3580 -1.6610 -2.6150 64 0 0 0 68 68 Q10 PSEUD 0 0.0000 -3.4530 -1.8403 -2.1627 0 0 0 0 0 69 C19 C_BYL 0 0.0000 -2.5760 0.7810 -1.7990 63 70 136 0 0 70 H19 H_ALI 0 0.0000 -2.6320 1.7670 -1.3440 69 0 0 0 0 71 H171 H_ALI 0 0.0000 -5.5170 0.1010 -0.8950 62 0 0 0 73 72 H172 H_ALI 0 0.0000 -4.4300 1.3150 -0.1910 62 0 0 0 73 73 Q11 PSEUD 0 0.0000 -4.9735 0.7080 -0.5430 0 0 0 0 0 74 H16 H_ALI 0 0.0000 -3.5880 -1.3030 0.6750 56 0 0 0 0 75 H151 H_ALI 0 0.0000 -4.2530 1.3640 1.6930 55 0 0 0 77 76 H152 H_ALI 0 0.0000 -2.9770 0.2470 2.1690 55 0 0 0 77 77 Q12 PSEUD 0 0.0000 -3.6150 0.8055 1.9310 0 0 0 0 0 78 H14 H_ALI 0 0.0000 -5.7520 -0.4260 3.1850 48 0 0 0 0 79 H13 H_ALI 0 0.0000 -3.4520 -1.6140 3.6390 39 0 0 0 0 80 O6 O_HYD 0 0.0000 -1.4540 -1.8060 4.8190 26 81 0 0 0 81 HO6 H_OXY 0 0.0000 -0.7430 -2.1840 5.3550 80 0 0 0 0 82 H2 H_ALI 0 0.0000 2.6760 2.3700 4.8780 4 0 0 0 0 83 C25 C_ALI 0 0.0000 1.8440 1.5100 1.0870 1 84 118 119 0 84 C26 C_BYL 0 0.0000 3.2480 1.3040 0.5810 83 85 90 0 0 85 C41 C_ALI 0 0.0000 4.2730 2.3970 0.7380 84 86 87 88 0 86 H411 H_ALI 0 0.0000 5.1900 2.1130 0.2210 85 0 0 0 89 87 H412 H_ALI 0 0.0000 3.8870 3.3220 0.3090 85 0 0 0 89 88 H413 H_ALI 0 0.0000 4.4850 2.5480 1.7960 85 0 0 0 89 89 Q13 PSEUD 0 0.0000 4.5207 2.6610 0.7753 0 0 0 0 0 90 C27 C_BYL 0 0.0000 3.5780 0.1750 0.0040 84 91 117 0 0 91 C28 C_ALI 0 0.0000 5.0200 -0.1090 -0.3250 90 92 104 116 0 92 C29 C_ALI 0 0.0000 5.4190 -1.4660 0.2570 91 93 101 102 0 93 C30 C_ALI 0 0.0000 6.8830 -1.7550 -0.0770 92 94 100 106 0 94 O11 O_EST 0 0.0000 7.2550 -3.0230 0.4670 93 95 0 0 0 95 C44 C_ALI 0 0.0000 8.6500 -2.9490 0.7690 94 96 97 98 0 96 H441 H_ALI 0 0.0000 8.9810 -3.8980 1.1900 95 0 0 0 99 97 H442 H_ALI 0 0.0000 9.2090 -2.7400 -0.1420 95 0 0 0 99 98 H443 H_ALI 0 0.0000 8.8230 -2.1510 1.4920 95 0 0 0 99 99 Q14 PSEUD 0 0.0000 9.0043 -2.9297 0.8467 0 0 0 0 0 100 H30 H_ALI 0 0.0000 7.5140 -0.9760 0.3500 93 0 0 0 0 101 H291 H_ALI 0 0.0000 4.7880 -2.2450 -0.1700 92 0 0 0 103 102 H292 H_ALI 0 0.0000 5.2900 -1.4480 1.3400 92 0 0 0 103 103 Q15 PSEUD 0 0.0000 5.0390 -1.8465 0.5850 0 0 0 0 0 104 C33 C_ALI 0 0.0000 5.2000 -0.1340 -1.8440 91 105 113 114 0 105 C32 C_ALI 0 0.0000 6.6650 -0.4230 -2.1790 104 106 110 111 0 106 C31 C_ALI 0 0.0000 7.0630 -1.7800 -1.5960 93 105 107 109 0 107 O12 O_HYD 0 0.0000 8.4310 -2.0500 -1.9090 106 108 0 0 0 108 HO2 H_OXY 0 0.0000 8.5010 -2.0570 -2.8740 107 0 0 0 0 109 H31 H_ALI 0 0.0000 6.4320 -2.5590 -2.0240 106 0 0 0 0 110 H321 H_ALI 0 0.0000 6.7930 -0.4400 -3.2620 105 0 0 0 112 111 H322 H_ALI 0 0.0000 7.2960 0.3550 -1.7510 105 0 0 0 112 112 Q16 PSEUD 0 0.0000 7.0445 -0.0425 -2.5065 0 0 0 0 0 113 H331 H_ALI 0 0.0000 4.5690 -0.9120 -2.2720 104 0 0 0 115 114 H332 H_ALI 0 0.0000 4.9160 0.8320 -2.2600 104 0 0 0 115 115 Q17 PSEUD 0 0.0000 4.7425 -0.0400 -2.2660 0 0 0 0 0 116 H28 H_ALI 0 0.0000 5.6510 0.6690 0.1020 91 0 0 0 0 117 H27 H_ALI 0 0.0000 2.8150 -0.5510 -0.2330 90 0 0 0 0 118 H25 H_ALI 0 0.0000 1.2450 0.6260 0.8910 83 0 0 0 0 119 C24 C_ALI 0 0.0000 1.2170 2.7390 0.4280 83 120 125 126 0 120 C40 C_ALI 0 0.0000 -0.2030 2.9270 0.9770 119 121 122 123 0 121 H401 H_ALI 0 0.0000 -0.6260 3.8510 0.5830 120 0 0 0 124 122 H402 H_ALI 0 0.0000 -0.8240 2.0850 0.6740 120 0 0 0 124 123 H403 H_ALI 0 0.0000 -0.1670 2.9790 2.0650 120 0 0 0 124 124 Q18 PSEUD 0 0.0000 -0.5390 2.9717 1.1073 0 0 0 0 0 125 H24 H_ALI 0 0.0000 1.8060 3.6170 0.7240 119 0 0 0 0 126 C23 C_ALI 0 0.0000 1.1730 2.6660 -1.0860 119 127 129 130 0 127 O10 O_HYD 0 0.0000 2.4410 2.9890 -1.6550 126 128 0 0 0 128 HO0 H_OXY 0 0.0000 2.3200 3.0080 -2.6140 127 0 0 0 0 129 H23 H_ALI 0 0.0000 0.4530 3.4260 -1.4400 126 0 0 0 0 130 C22 C_ALI 0 0.0000 0.6950 1.3050 -1.5890 126 131 132 134 0 131 H221 H_ALI 0 0.0000 0.2890 0.7180 -0.7690 130 0 0 0 133 132 H222 H_ALI 0 0.0000 1.5280 0.7710 -2.0450 130 0 0 0 133 133 Q19 PSEUD 0 0.0000 0.9085 0.7445 -1.4070 0 0 0 0 0 134 C21 C_BYL 0 0.0000 -0.3780 1.5150 -2.6260 130 135 136 0 0 135 O9 O_BYL 0 0.0000 -0.3580 2.4960 -3.3290 134 0 0 0 0 136 C20 C_ALI 0 0.0000 -1.4870 0.5000 -2.7930 69 134 137 138 0 137 H20 H_ALI 0 0.0000 -1.0700 -0.4910 -2.6480 136 0 0 0 0 138 C37 C_ALI 0 0.0000 -2.0410 0.6260 -4.2170 136 139 140 142 0 139 H371 H_ALI 0 0.0000 -2.9330 0.0080 -4.3160 138 0 0 0 141 140 H372 H_ALI 0 0.0000 -2.2960 1.6670 -4.4170 138 0 0 0 141 141 Q20 PSEUD 0 0.0000 -2.6145 0.8375 -4.3665 0 0 0 0 0 142 C51 C_ALI 0 0.0000 -0.9830 0.1590 -5.2180 138 143 144 146 0 143 H511 H_ALI 0 0.0000 -0.1270 0.8330 -5.1840 142 0 0 0 145 144 H512 H_ALI 0 0.0000 -0.6610 -0.8490 -4.9620 142 0 0 0 145 145 Q21 PSEUD 0 0.0000 -0.3940 -0.0080 -5.0730 0 0 0 0 0 146 O17 O_EST 0 0.0000 -1.5480 0.1620 -6.5560 142 147 0 0 0 147 C50 C_BYL 0 0.0000 -0.7940 -0.2140 -7.6060 146 148 149 0 0 148 O23 O_BYL 0 0.0000 0.3580 -0.5570 -7.4340 147 0 0 0 0 149 N2 N_AMI 0 0.0000 -1.3190 -0.2110 -8.8470 147 150 151 0 0 150 HN2 H_AMI 0 0.0000 -2.2390 0.0610 -8.9840 149 0 0 0 0 151 C49 C_ALI 0 0.0000 -0.4990 -0.6220 -9.9900 149 152 153 155 0 152 H491 H_ALI 0 0.0000 0.3680 0.0330 -10.0690 151 0 0 0 154 153 H492 H_ALI 0 0.0000 -0.1650 -1.6500 -9.8470 151 0 0 0 154 154 Q22 PSEUD 0 0.0000 0.1015 -0.8085 -9.9580 0 0 0 0 0 155 C47 C_ARO 0 0.0000 -1.3150 -0.5290 -11.2530 151 156 164 0 0 156 C46 C_ARO 0 0.0000 -1.3310 0.6440 -11.9820 155 157 163 0 0 157 C45 C_ARO 0 0.0000 -2.0790 0.7290 -13.1410 156 158 162 0 0 158 C39 C_ARO 0 0.0000 -2.8130 -0.3600 -13.5710 157 159 161 0 0 159 C38 C_ARO 0 0.0000 -2.7960 -1.5350 -12.8430 158 160 164 0 0 160 H38 H_ALI 0 0.0000 -3.3690 -2.3860 -13.1790 159 0 0 0 167 161 H39 H_ALI 0 0.0000 -3.3980 -0.2930 -14.4760 158 0 0 0 0 162 H45 H_ALI 0 0.0000 -2.0920 1.6470 -13.7090 157 0 0 0 167 163 H46 H_ALI 0 0.0000 -0.7580 1.4960 -11.6450 156 0 0 0 166 164 C48 C_ARO 0 0.0000 -2.0440 -1.6210 -11.6870 155 159 165 0 0 165 H48 H_ALI 0 0.0000 -2.0310 -2.5390 -11.1180 164 0 0 0 166 166 Q23 PSEUD 0 0.0000 -1.3945 -0.5215 -11.3815 0 0 0 0 168 167 Q24 PSEUD 0 0.0000 -2.7305 -0.3695 -13.4440 0 0 0 0 168 168 QQA PSEUD 0 0.0000 -2.0625 -0.4455 -12.4128 0 0 0 0 0