REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = "(9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,5(10)-TRIENE-3,17-DIYL DISULFAMATE" RESIDUE PO1 16 68 1 68 1 CHI1 0 0 0.0000 10 1 2 3 9 2 CHI2 0 0 0.0000 1 2 3 4 9 3 CHI3 0 0 0.0000 2 3 6 7 9 4 CHI4 0 0 0.0000 1 21 22 23 27 5 CHI5 0 0 0.0000 21 22 23 24 27 6 CHI6 0 0 0.0000 30 31 32 33 39 7 CHI7 0 0 0.0000 31 32 33 34 36 8 PHI1 0 0 0.0000 13 41 43 53 0 9 CHI8 0 0 0.0000 41 43 44 45 51 10 CHI9 0 0 0.0000 43 44 45 46 48 11 PHI2 0 0 0.0000 41 43 53 59 0 12 CHI10 0 0 0.0000 43 53 54 55 58 13 PHI3 0 0 0.0000 43 53 59 61 0 14 PHI4 0 0 0.0000 53 59 61 62 0 15 PHI5 0 0 0.0000 59 61 62 65 0 16 PHI6 0 0 0.0000 61 62 65 67 0 1 C1 C_ARO 0 0.0000 4.1920 -0.2660 0.5860 2 10 21 0 0 2 O3 O_EST 0 0.0000 5.5440 -0.2650 0.4390 1 3 0 0 0 3 S1 S_XXX 0 0.0000 5.8270 0.0520 -1.0230 2 4 5 6 0 4 O2 O_XXX 0 0.0000 4.8150 -0.6150 -1.7650 3 0 0 0 0 5 O1 O_XXX 0 0.0000 7.2260 -0.1280 -1.1930 3 0 0 0 0 6 N1 N_AMO 0 0.0000 5.5520 1.6700 -1.2410 3 7 8 0 0 7 HN11 H_AMI 0 0.0000 5.2640 2.2180 -0.4940 6 0 0 0 9 8 HN12 H_AMI 0 0.0000 5.6780 2.0700 -2.1160 6 0 0 0 9 9 Q1 PSEUD 0 0.0000 5.4710 2.1440 -1.3050 0 0 0 0 0 10 C6 C_ARO 0 0.0000 3.4770 -1.4290 0.4040 1 11 20 0 0 11 C5 C_ARO 0 0.0000 2.0960 -1.4520 0.5500 10 12 30 0 0 12 C11 C_ALI 0 0.0000 1.3920 -2.7520 0.3010 11 13 17 18 0 13 C10 C_ALI 0 0.0000 -0.0320 -2.7160 0.8540 12 14 15 41 0 14 H101 H_ALI 0 0.0000 -0.0030 -2.7070 1.9430 13 0 0 0 16 15 H102 H_ALI 0 0.0000 -0.5830 -3.5900 0.5070 13 0 0 0 16 16 Q2 PSEUD 0 0.0000 -0.2930 -3.1485 1.2250 0 0 0 0 0 17 H111 H_ALI 0 0.0000 1.9500 -3.5440 0.8020 12 0 0 0 19 18 H112 H_ALI 0 0.0000 1.3550 -2.9640 -0.7680 12 0 0 0 19 19 Q3 PSEUD 0 0.0000 1.6525 -3.2540 0.0170 0 0 0 0 0 20 H6 H_ALI 0 0.0000 4.0000 -2.3320 0.1280 10 0 0 0 0 21 C2 C_ARO 0 0.0000 3.5200 0.9090 0.9080 1 22 28 0 0 22 O4 O_EST 0 0.0000 4.2110 2.0680 1.0800 21 23 0 0 0 23 C7 C_ALI 0 0.0000 3.2500 3.0790 1.3920 22 24 25 26 0 24 H71 H_ALI 0 0.0000 3.7600 4.0310 1.5390 23 0 0 0 27 25 H72 H_ALI 0 0.0000 2.5390 3.1700 0.5710 23 0 0 0 27 26 H73 H_ALI 0 0.0000 2.7190 2.8060 2.3040 23 0 0 0 27 27 Q4 PSEUD 0 0.0000 3.0060 3.3357 1.4713 0 0 0 0 0 28 C3 C_ARO 0 0.0000 2.1440 0.8920 1.0480 21 29 30 0 0 29 H3 H_ALI 0 0.0000 1.6200 1.8030 1.2960 28 0 0 0 0 30 C4 C_ARO 0 0.0000 1.4310 -0.2860 0.8720 11 28 31 0 0 31 C8 C_ALI 0 0.0000 -0.0590 -0.2470 1.0510 30 32 40 41 0 32 C12 C_ALI 0 0.0000 -0.6570 1.0630 0.5590 31 33 37 38 0 33 C13 C_ALI 0 0.0000 -2.1850 1.0710 0.7590 32 34 35 53 0 34 H131 H_ALI 0 0.0000 -2.4190 1.0000 1.8210 33 0 0 0 36 35 H132 H_ALI 0 0.0000 -2.6070 1.9880 0.3480 33 0 0 0 36 36 Q5 PSEUD 0 0.0000 -2.5130 1.4940 1.0845 0 0 0 0 0 37 H121 H_ALI 0 0.0000 -0.2170 1.8900 1.1160 32 0 0 0 39 38 H122 H_ALI 0 0.0000 -0.4330 1.1850 -0.5010 32 0 0 0 39 39 Q6 PSEUD 0 0.0000 -0.3250 1.5375 0.3075 0 0 0 0 0 40 H8 H_ALI 0 0.0000 -0.2700 -0.3330 2.1170 31 0 0 0 0 41 C9 C_ALI 0 0.0000 -0.7100 -1.4440 0.3450 13 31 42 43 0 42 H9 H_ALI 0 0.0000 -0.5830 -1.3630 -0.7350 41 0 0 0 0 43 C15 C_ALI 0 0.0000 -2.1850 -1.4120 0.6960 41 44 52 53 0 44 C19 C_ALI 0 0.0000 -3.0390 -2.5020 0.0470 43 45 49 50 0 45 C18 C_ALI 0 0.0000 -4.4600 -1.8740 0.0700 44 46 47 59 0 46 H181 H_ALI 0 0.0000 -5.0020 -2.2060 0.9550 45 0 0 0 48 47 H182 H_ALI 0 0.0000 -5.0070 -2.1540 -0.8310 45 0 0 0 48 48 Q7 PSEUD 0 0.0000 -5.0045 -2.1800 0.0620 0 0 0 0 0 49 H191 H_ALI 0 0.0000 -3.0120 -3.4150 0.6430 44 0 0 0 51 50 H192 H_ALI 0 0.0000 -2.7200 -2.6980 -0.9760 44 0 0 0 51 51 Q8 PSEUD 0 0.0000 -2.8660 -3.0565 -0.1665 0 0 0 0 0 52 H15 H_ALI 0 0.0000 -2.3400 -1.3970 1.7750 43 0 0 0 0 53 C14 C_ALI 0 0.0000 -2.7500 -0.1280 0.0270 33 43 54 59 0 54 C16 C_ALI 0 0.0000 -2.3220 -0.0830 -1.4410 53 55 56 57 0 55 H161 H_ALI 0 0.0000 -1.2370 0.0060 -1.5000 54 0 0 0 58 56 H162 H_ALI 0 0.0000 -2.6390 -0.9990 -1.9400 54 0 0 0 58 57 H163 H_ALI 0 0.0000 -2.7840 0.7750 -1.9280 54 0 0 0 58 58 Q9 PSEUD 0 0.0000 -2.2200 -0.0727 -1.7893 0 0 0 0 0 59 C17 C_ALI 0 0.0000 -4.2580 -0.3390 0.1140 45 53 60 61 0 60 H17 H_ALI 0 0.0000 -4.6430 0.0660 1.0500 59 0 0 0 0 61 O5 O_EST 0 0.0000 -4.9090 0.2810 -0.9980 59 62 0 0 0 62 S2 S_XXX 0 0.0000 -6.2400 0.8130 -0.4870 61 63 64 65 0 63 O6 O_XXX 0 0.0000 -6.7120 -0.1540 0.4410 62 0 0 0 0 64 O7 O_XXX 0 0.0000 -6.9440 1.2610 -1.6380 62 0 0 0 0 65 N2 N_AMI 0 0.0000 -5.9210 2.1720 0.4030 62 66 67 0 0 66 HN21 H_AMI 0 0.0000 -5.0070 2.4790 0.5100 65 0 0 0 68 67 HN22 H_AMI 0 0.0000 -6.6490 2.6620 0.8170 65 0 0 0 68 68 Q10 PSEUD 0 0.0000 -5.8280 2.5705 0.6635 0 0 0 0 0