#COMMAND dkcombu S -ides /homcos_data/CCD/CCD_SDF_2D_20240403.des -tao 0.3 -tap 0.3 -tam 0.1 -con T -mtd 1 -nmcs 150 -Q ./SDF_2D/D07606.sdf -osc ./DKCOMBU_PDBLIG_20240403/D07606 #DATE_START Apr 9,2024 2:7:46 #DATE_END Apr 9,2024 2:7:53 #COMP_TIME_PROGRESS 0.209187 seconds #COMP_TIME 6.433395 seconds #QUERY_FILENAME ./SDF_2D/D07606.sdf #QUERY_NAME D07606 #QUERY_FILETYPE S #QUERY_MOLFORMULA C20_N4_O5 #QUERY_NATOM 29 #QUERY_NHEAVYATOM 29 #ALGORITHM B #CONNECT_GRAPH T #MAX_DIF_TOPODIS 1 #THRE_TANIMOTO_MCS 0.100000 #THRE_TANIMOTO_ATOMPAIR 0.300000 #THRE_TANIMOTO_ONEATOM 0.300000 #LIBRARY_DIRECTORY /homcos_data/CCD/SDF_2D #LIBRARY_DESCRIPTOR /homcos_data/CCD/CCD_SDF_2D_20240403.des #NMOL_IN_LIBRARY 43067 #NMOL_SELECTED_BY_DESCRIPTORS 36775 #NMOL_CAL_MCS 150 #NMOL_OVER_THRE 150 #N_LIBRARY_FILE 0 [SIMILAR_MOLECULE_LIST] #[rank(1)] [molecular_num(2)] [file_num(3)] [file_offset(4)] [molecular_name(5)] #[similarity MCS(6)] [similarity ONEATOM(7)] [similarity ATOMPAIR(8)] #[Natompair(9)] [Nheavyatom(10)] [select_dis(11)] [molecular formula(12)] # [element_for_query]:CCCCCCNCNNCOCOCCCCCCCOCCNCOOC # [ring_for_query]:aaaaaa b bbbbb # [atom_number_for_query]: 11111111112222222222 # :12345678901234567890123456789 #[rk][num][name] [sMCS][sONE][sPAIR][Npair][Nhvyatm][seldis][molform] :----------------------------- 1 36172 0 0 T/TF3.sdf 0.588 0.800 0.722 20 25 51.000 H25_C20_N2_O2_CL CCCCCC-C--COC-CCCCCCC-CC--O-- 2 5239 0 0 4/4BO.sdf 0.576 0.793 0.750 19 23 40.000 H18_C17_N2_O4 CCCCCC----COC-CCCCC-C-CC--OO- 3 5243 0 0 4/4BS.sdf 0.562 0.724 0.720 18 21 45.000 H20_C17_N2_O2 CCCCCC----COC-CCCCC-C-CC--O-- 4 5241 0 0 4/4BQ.sdf 0.559 0.828 0.738 19 24 45.000 H20_C18_N2_O4 CCCCCC----COC-CCCCC-C-CC--OO- 5 6890 0 0 5/5OK.sdf 0.559 0.710 0.695 19 24 72.000 H14_C17_N2_O4_S CCCCCC------COCCCCCCC-CCN--O- 6 5686 0 0 4/4PG.sdf 0.548 0.655 0.715 17 19 24.000 H15_C15_N3_O CCCCCCNCNNC-C-CCCCC---------- 7 34788 0 0 S/SAG.sdf 0.545 0.700 0.687 18 22 43.000 H17_C17_N2_O2_F CCCCCC----COC-CCCCCC--CC---O- 8 41389 0 0 Y/Y28.sdf 0.543 0.742 0.719 19 25 44.000 H17_C18_N_O6 CCCCCC----COC-CCCCCC--CC--OO- 9 7900 0 0 6/6H0.sdf 0.541 0.839 0.697 20 28 82.000 H23_C19_N3_O5_S CCCCCC---NC-COCCCCC-C-CCN---C 10 35215 0 0 S/SPB.sdf 0.529 0.793 0.725 18 23 50.000 H19_C19_N_O3 CCCCCC----C-C-CCCCC-C-CC--OO- 11 28015 0 0 M/MS7.sdf 0.515 0.724 0.728 17 21 43.000 H20_C17_N2_O2 CCCCCC----COC-CCCCCCC--C----- 12 14694 0 0 B/BVN.sdf 0.513 0.788 0.698 20 30 44.000 H27_C22_N3_O5 CCCCCCN---C--O--CCC-COCCNCO-C 13 16319 0 0 D/D50.sdf 0.513 0.788 0.724 20 30 60.000 H30_C23_N2_O5 CCCCCC----COC-CCCCCCC--CN--OC 14 5231 0 0 4/4BG.sdf 0.500 0.655 0.696 16 19 31.000 H16_C15_N2_O2 CCCCCC----COC-CCCCC-C-----O-- 15 26048 0 0 L/L59.sdf 0.500 0.800 0.698 18 25 59.000 H18_C19_N2_O4 CCCCCC----C-C-CCCCC---CCN-OO- 16 42166 0 0 Y/Y3T.sdf 0.500 0.781 0.728 19 28 58.000 H23_C20_N3_O3_F_CL CCCCCC------C-CCCCC-C-CCNCO-C 17 9682 0 0 7/7TB.sdf 0.488 0.684 0.710 21 35 60.000 H43_C29_N2_O4 CCCCCC----C-COCCCCC--OCCNCO-C 18 19104 0 0 F/FF5.sdf 0.487 0.812 0.688 19 29 64.000 H24_C19_N4_O5_S CCCCCC---N--COCCCCC-C-CCN---C 19 21354 0 0 H/HA2.sdf 0.487 0.812 0.745 19 29 39.000 H28_C22_N2_O5 CCCCCC----COC-CCCCCCC--C---OC 20 5245 0 0 4/4BU.sdf 0.486 0.833 0.709 18 26 41.000 H22_C19_N2_O5 CCCCCC-----OCOCCCCC-C-CC--O-- 21 36402 0 0 T/TNS.sdf 0.486 0.833 0.732 18 26 49.000 H22_C20_N2_O4 CCCCCCN---C-C-CCCCC-C-CC---O- 22 23749 0 0 J/JA1.sdf 0.486 0.793 0.707 17 23 60.000 H21_C18_N_O4 CCCCCCN-----C-CCCCCCC-CC----- 23 27372 0 0 M/M84.sdf 0.485 0.690 0.686 16 20 25.000 H15_C16_N_O3 CCCCCC----C-COCCCCCC------O-- 24 35709 0 0 S/SYL.sdf 0.485 0.690 0.741 16 20 67.000 H27_C17_N_O2 CCCCCC----COC-CCCCC-C--C----- 25 36676 0 0 T/TY5.sdf 0.485 0.690 0.709 16 20 31.000 H17_C16_N_O3 CCCCCC----COC-CCCCCC------O-- 26 37101 0 0 U/U2X.sdf 0.485 0.690 0.709 16 20 31.000 H23_C16_N_O3 CCCCCC----COC-CCCCCC------O-- 27 36372 0 0 T/TMS.sdf 0.474 0.806 0.729 18 27 72.000 H25_C21_N_O5 CCCCCC-C--C-C-CCCCCC--CC---O- 28 20425 0 0 G/GKN.sdf 0.472 0.828 0.702 17 24 26.000 H23_C20_N_O3 CCCCCC-C--C-COCCCCCC------O-- 29 20604 0 0 G/GQE.sdf 0.471 0.724 0.695 16 21 59.000 H14_C15_N2_O4 CCCCCC----C-COCCCCCC------O-- 30 23585 0 0 J/J2W.sdf 0.471 0.724 0.703 16 21 53.000 H15_C15_N3_O3 CCCCCC-C--C-COCCCCCC--------- 31 38945 0 0 V/VGZ.sdf 0.471 0.724 0.716 16 21 26.000 H16_C16_N2_O3 CCCCCCNC--C-COCCCCC---------- 32 24713 0 0 J/J3O.sdf 0.459 0.800 0.719 17 25 59.000 H21_C20_O4_CL CCCCCC----C-CO-C--CCCOCC--O-- 33 1381 0 0 1/16L.sdf 0.457 0.759 0.727 16 22 66.000 H19_C19_N_O2 CCCCCC----C-C-CCCCC-C-C---O-- 34 1441 0 0 1/18A.sdf 0.457 0.759 0.716 16 22 40.000 H21_C19_N_O2 CCCCCC----C-C-CCCCC-C-C---O-- 35 23582 0 0 J/J2Q.sdf 0.457 0.759 0.735 16 22 52.000 H17_C16_N3_O3 CCCCCC-C--C-COCCCCCC--------- 36 24246 0 0 J/JUS.sdf 0.457 0.759 0.692 16 22 67.000 H21_C19_N_O2 -CCCCC-----OC-CCCCCCC-CC----- 37 12392 0 0 A/A3V.sdf 0.455 0.655 0.718 15 19 56.000 H25_C16_N_O2 CCCCCC----COC-CCCCC-C-------- 38 12456 0 0 A/A5V.sdf 0.455 0.655 0.718 15 19 56.000 H25_C16_N_O2 CCCCCC----COC-CCCCC-C-------- 39 12579 0 0 A/A9V.sdf 0.455 0.655 0.729 15 19 56.000 H24_C16_O3 CCCCCC----COC-CCCCC-C-------- 40 12547 0 0 A/A8V.sdf 0.455 0.655 0.729 15 19 56.000 H24_C16_O3 CCCCCC----COC-CCCCC-C-------- 41 1450 0 0 1/18J.sdf 0.444 0.733 0.696 16 23 54.000 H21_C18_N_O3_S CCCCCC----C-C-CCCCC---CC--O-- 42 2115 0 0 1/1TN.sdf 0.444 0.793 0.687 16 23 69.000 H21_C18_N_O4 -CCCCC-----OC-CCCCCCC-CC----- 43 24514 0 0 J/J2F.sdf 0.444 0.733 0.736 16 23 32.000 H16_C16_N2_O5 CCCCCC----COC-CCCCCC------O-- 44 24424 0 0 J/J8F.sdf 0.444 0.793 0.705 16 23 34.000 H17_C19_N3_O CCCCCCNC--C-C-CCCCCC--------- 45 16663 0 0 D/DFF.sdf 0.441 0.690 0.689 15 20 44.000 H15_C16_N_O3 CCCCCC----C--OCCCCCC------O-- 46 27995 0 0 M/MRN.sdf 0.441 0.690 0.723 15 20 50.000 H19_C17_N_O2 CCCCCC----C-COCCCCC-C-------- 47 31185 0 0 P/PBF.sdf 0.441 0.690 0.689 15 20 44.000 H15_C16_N_O3 CCCCCC----C--OCCCCCC------O-- 48 39850 0 0 W/W4J.sdf 0.441 0.633 0.690 15 20 59.000 H24_C16_N_O2_F CCCCCC----COC-CCCCC-C-------- 49 16324 0 0 D/D55.sdf 0.436 0.806 0.714 17 27 82.000 H28_C21_N2_O4 CCCCCC-C-NC-COCCCCC-C-------- 50 3499 0 0 2/2XK.sdf 0.432 0.828 0.732 16 24 54.000 H14_C17_N2_O5 CCCCCC---NC-COCCCCC-C-------- 51 37336 0 0 U/UL4.sdf 0.432 0.767 0.729 16 24 66.000 H17_C18_N_O5 CCCCCC----C-COCCCCCCC-------- 52 9181 0 0 7/7HH.sdf 0.429 0.622 0.688 18 31 52.000 H19_C23_N2_O5_CL CCCCCC----COC-CCCCC---CC--OO- 53 11639 0 0 9/9KF.sdf 0.429 0.724 0.706 15 21 63.000 H18_C18_O3 C---CC------C-CCCCCCCOCC--O-- 54 25537 0 0 K/KXS.sdf 0.429 0.724 0.709 15 21 46.000 H27_C18_N_O2 CCCCCC----C-COCCCCC-C-------- 55 42177 0 0 Y/YKF.sdf 0.429 0.667 0.689 18 31 63.000 H21_C23_N3_O5 CCCCCC----C-COCCCCC-COC---O-- 56 24428 0 0 J/J8U.sdf 0.421 0.800 0.696 16 25 32.000 H22_C21_N4 CCCCCCNC--C-C-CCCCCC--------- 57 41478 0 0 Y/YFE.sdf 0.421 0.800 0.692 16 25 87.000 H24_C21_O4 CCCCCC----C-C-CCCCCC--CC----- 58 12489 0 0 A/A6V.sdf 0.417 0.759 0.713 15 22 63.000 H29_C19_N_O2 CCCCCC----COC-CCCCC-C-------- 59 15293 0 0 C/CCA.sdf 0.417 0.645 0.692 15 22 57.000 H22_C17_N_O4 CCCCCC----COCO-CCCC-C-------- 60 15712 0 0 C/COC.sdf 0.417 0.645 0.692 15 22 57.000 H21_C17_N_O4 CCCCCC----COCO-CCCC-C-------- 61 24038 0 0 J/JMP.sdf 0.417 0.759 0.742 15 22 54.000 H17_C17_N_O4 CCCCCC----C-COCCCCC-C-------- 62 30196 0 0 O/ONY.sdf 0.415 0.706 0.688 17 29 38.000 H22_C22_N4_O3 -CCCCC-----OC-CCCCCCC-CC--O-- 63 6893 0 0 5/5ON.sdf 0.405 0.733 0.742 15 23 49.000 H16_C18_O5 CCCCCC------C-CCCCCCC-----O-- 64 20321 0 0 G/GGE.sdf 0.405 0.733 0.688 15 23 66.000 H20_C17_O6 CCCCCC-C--C-COCCCCC---------- 65 27021 0 0 L/LJU.sdf 0.405 0.733 0.694 15 23 72.000 H20_C17_O6 CCCCCC----C-COCCCCC-C-------- 66 27020 0 0 L/LJL.sdf 0.405 0.733 0.694 15 23 72.000 H20_C17_O6 CCCCCC----C-COCCCCC-C-------- 67 27019 0 0 L/LJC.sdf 0.405 0.733 0.694 15 23 72.000 H20_C17_O6 CCCCCC----C-COCCCCC-C-------- 68 27018 0 0 L/LHX.sdf 0.405 0.733 0.694 15 23 72.000 H20_C17_O6 CCCCCC----C-COCCCCC-C-------- 69 38749 0 0 V/V48.sdf 0.405 0.733 0.700 15 23 76.000 H13_C16_N_O6 CCCCCC-C---OCOCCCCC---------- 70 26620 0 0 L/LP9.sdf 0.405 0.735 0.689 17 30 72.000 H23_C21_N3_O6 CCCCCCNC----C---CCC-COCC--O-- 71 2818 0 0 2/2CN.sdf 0.400 0.697 0.694 16 27 68.000 H27_C22_O3_S_BR CCCCCC------C-CCCCC-C-CC----C 72 22063 0 0 H/HXK.sdf 0.400 0.750 0.711 16 27 88.000 H28_C22_O4_S CCCCCC------C-CC-CCCC-CC----C 73 6731 0 0 5/5JN.sdf 0.395 0.818 0.702 17 31 60.000 H26_C22_N2_O7 ---CCC-C--C-COCCCCC-COCC--O-- 74 2678 0 0 2/28P.sdf 0.395 0.828 0.692 15 24 52.000 H25_C20_N_O3 CCCCCC------C-CCCCC-C-C-----C 75 14667 0 0 B/BUU.sdf 0.395 0.710 0.733 15 24 56.000 H16_C16_N2_O6 CCCCCC----COC-CCCCC-C-------- 76 1011 0 0 0/0YX.sdf 0.390 0.781 0.691 16 28 71.000 H28_C21_O5_P_BR CCCCCC------C-CCCCC-C-CC----C 77 34817 0 0 S/SB8.sdf 0.389 0.724 0.689 14 21 61.000 H15_C16_N_O4 CCCCCC----C-CO---CCC--C---O-- 78 1010 0 0 0/0YW.sdf 0.386 0.743 0.710 17 32 75.000 H30_C24_N2_O6 CCCCCCN-----C-CCCCC-C-CC----C 79 38717 0 0 V/V5M.sdf 0.385 0.800 0.730 15 25 61.000 H18_C19_O6 CCCCCC----C-C-CCCCCC------O-- 80 27818 0 0 M/MM9.sdf 0.378 0.771 0.693 17 33 47.000 H36_C24_N6_O3 CCCCCC----C------CCCC-CCNC-OC 81 10514 0 0 8/8R2.sdf 0.375 0.667 0.700 15 26 45.000 H17_C18_N5_O3 -CCC-C-----OC-CCCCC-C--C--OO- 82 5525 0 0 4/4KM.sdf 0.372 0.735 0.715 16 30 35.000 H24_C22_N_O4_F3 CCCCCC----COC-CCCCC-C-----O-- 83 26802 0 0 L/LW5.sdf 0.372 0.639 0.686 16 30 42.000 H27_C23_N2_O4_F CCCCCCNC--C-COCCCCC---------- 84 2634 0 0 2/27G.sdf 0.368 0.793 0.742 14 23 53.000 H20_C19_O4 CCCCCC----CO-OCCCCC---------- 85 41631 0 0 Y/YWO.sdf 0.368 0.793 0.708 14 23 40.000 H17_C16_N3_O4 -CCCCC-----OC-CCCCCC------O-- 86 40264 0 0 W/WR9.sdf 0.364 0.765 0.694 16 31 54.000 H31_C24_N3_O4 C----C----COC-CCCCC-C--CN-OOC 87 29094 0 0 N/NOQ.sdf 0.359 0.767 0.734 14 24 49.000 H26_C17_N2_O4_S CCCCCC-C----COCCCCC---------- 88 32333 0 0 Q/QB5.sdf 0.357 0.676 0.725 15 28 55.000 H22_C21_N4_O3 CCCCCC----COC-CCCCC---C------ 89 6026 0 0 4/4Y4.sdf 0.350 0.800 0.722 14 25 52.000 H27_C21_N_O3 CCCCCC----C-COCCCCC---------- 90 9107 0 0 7/7F9.sdf 0.350 0.800 0.738 14 25 67.000 H20_C18_N2_O5 CCCCCC------COCCCCC-C-------- 91 42623 0 0 Z/ZYM.sdf 0.350 0.800 0.690 14 25 60.000 H19_C19_N_O5 C---CC------C-CCCCCCC--C---OC 92 11050 0 0 8/84K.sdf 0.349 0.657 0.696 15 29 70.000 H30_C24_N2_O3 CCCCCC----C---CC-CC-COC---O-- 93 20640 0 0 G/GRK.sdf 0.342 0.759 0.688 13 22 56.000 H16_C16_N2_O4 ---CCC----C-COCCCCCC------O-- 94 30313 0 0 O/OST.sdf 0.342 0.759 0.707 13 22 51.000 H18_C19_O3 CCCCCC----C-C-CCCCC---------- 95 3276 0 0 2/2QW.sdf 0.341 0.833 0.690 14 26 41.000 H31_C20_N3_O2_SE CCCCCC------COCCCCCC--------- 96 18569 0 0 E/EID.sdf 0.341 0.686 0.686 15 30 79.000 H32_C25_N2_O3 CCCCCC----C---CC-CC-COC---O-- 97 22519 0 0 I/ICX.sdf 0.341 0.788 0.700 15 30 22.000 H25_C23_N2_O4_I CCCCCC----C--O-----CC-CC--OOC 98 172 0 0 0/04W.sdf 0.333 0.765 0.736 15 31 47.000 H31_C24_N_O6 CCCCCC----COC-CCCCC-------O-- 99 2548 0 0 2/24U.sdf 0.333 0.733 0.692 13 23 41.000 H24_C17_N4_O2 C--CCC----C-COCCCCCC--------- 100 22374 0 0 I/I25.sdf 0.333 0.818 0.691 15 31 52.000 H34_C24_N4_O3 CCCCCC-C--C-C-CCCCCC--------- 101 27376 0 0 M/M8A.sdf 0.326 0.676 0.705 14 28 29.000 H24_C22_N2_O4 C--CCC----C-COCCCCCC------O-- 102 39247 0 0 V/VRF.sdf 0.326 0.727 0.687 14 28 47.000 H20_C23_N2_O3 CCCCCC---N-OC-CCCCC---------- 103 2718 0 0 2/29U.sdf 0.325 0.710 0.687 13 24 41.000 H25_C17_N5_O2 C--CCC----C-COCCCCCC--------- 104 1403 0 0 1/177.sdf 0.319 0.771 0.709 15 33 52.000 H35_C24_N4_O4_CL CCCCCC----C-------CC-OCCN--OC 105 12922 0 0 A/AK6.sdf 0.319 0.590 0.687 15 33 46.000 H24_C25_N4_O3_S CCCCCC-C--C-COCCCCC---------- 106 5791 0 0 4/4T2.sdf 0.318 0.871 0.687 14 29 62.000 H24_C20_N4_O5 C---CC------C-CCCCC-COCC--O-- 107 2613 0 0 2/26U.sdf 0.317 0.742 0.686 13 25 41.000 H28_C19_N4_O2 C--CCC----C-COCCCCCC--------- 108 22636 0 0 I/IKR.sdf 0.317 0.742 0.713 13 25 46.000 H20_C19_N_O4_I C---CC-----O--CCCC-CCOC---O-- 109 25968 0 0 L/L26.sdf 0.317 0.800 0.689 13 25 72.000 H21_C18_N3_O4 C--CCC-C--C-CO---CCCC-----O-- 110 4658 0 0 3/3VJ.sdf 0.304 0.818 0.720 14 31 58.000 H23_C22_N3_O4_CL2 ----------COC-CCCCC---CCN-OOC 111 135 0 0 0/03U.sdf 0.302 0.867 0.693 13 27 50.000 H17_C20_N2_O4_F C----C------C-CCCCC-C-C---OOC 112 1185 0 0 1/10U.sdf 0.302 0.697 0.691 13 27 41.000 H29_C20_N5_O2 C--CCC----C-COCCCCCC--------- 113 5045 0 0 4/45U.sdf 0.302 0.697 0.720 13 27 41.000 H28_C20_N4_O3 C--CCC----C-COCCCCCC--------- 114 5178 0 0 4/49U.sdf 0.302 0.697 0.694 13 27 41.000 H30_C21_N4_O2 C--CCC----C-COCCCCCC--------- 115 9573 0 0 7/7YP.sdf 0.302 0.931 0.715 13 27 43.000 H23_C19_N3_O5 ---CCC-C-NC-COCCCCC---------- 116 23653 0 0 J/J5K.sdf 0.302 0.647 0.689 13 27 61.000 H25_C20_N5_O2 -C--CCNC--C-COCCCCC---------- 117 8110 0 0 6/6NY.sdf 0.300 0.793 0.694 12 23 39.000 H20_C17_N2_O4 ----------C-C-CCCCC----CNC-OC 118 27336 0 0 M/M6S.sdf 0.298 0.794 0.700 14 32 59.000 H34_C23_N6_O3 ------------C-CCCCCCC-CCN-OOC 119 1218 0 0 1/11U.sdf 0.295 0.676 0.692 13 28 41.000 H31_C21_N5_O2 C--CCC----C-COCCCCCC--------- 120 2647 0 0 2/27U.sdf 0.295 0.676 0.698 13 28 41.000 H26_C22_N4_O2 C--CCC----C-COCCCCCC--------- 121 5012 0 0 4/44U.sdf 0.295 0.676 0.686 13 28 65.000 H29_C23_N3_O2 -C--CCNC--C-COCCCCC---------- 122 4917 0 0 4/421.sdf 0.295 0.727 0.704 13 28 49.000 H19_C21_N3_O4 CCCCCC----C-CO--CCCC--------- 123 5078 0 0 4/46U.sdf 0.295 0.676 0.726 13 28 41.000 H30_C21_N4_O3 C--CCC----C-COCCCCCC--------- 124 6123 0 0 5/50U.sdf 0.295 0.676 0.698 13 28 41.000 H32_C22_N4_O2 C--CCC----C-COCCCCCC--------- 125 19106 0 0 F/FF8.sdf 0.295 0.781 0.690 13 28 44.000 H26_C22_N_O4_F C----CNC----C-CCCCCCC-----O-- 126 24909 0 0 K/K73.sdf 0.295 0.676 0.701 13 28 40.000 H28_C22_N4_O2 C--CCC----C-COCCCCCC--------- 127 12985 0 0 A/ALZ.sdf 0.293 0.767 0.698 12 24 50.000 H26_C17_N4_O3 -C--CCN---C-COCCCCC---------- 128 27289 0 0 M/M4Z.sdf 0.292 0.771 0.694 14 33 59.000 H36_C24_N6_O3 ------------C-CCCCCCC-CCN-OOC 129 3704 0 0 3/32U.sdf 0.289 0.657 0.693 13 29 41.000 H28_C22_N5_O2 C--CCC----C-COCCCCCC--------- 130 4895 0 0 4/41E.sdf 0.289 0.706 0.699 13 29 36.000 H26_C22_N2_O4_S C--CCC-C--C--OC---CCC-----O-C 131 8140 0 0 6/6OV.sdf 0.289 0.657 0.693 13 29 41.000 H33_C22_N5_O2 C--CCC----C-COCCCCCC--------- 132 37735 0 0 U/URK.sdf 0.289 0.871 0.717 13 29 58.000 H20_C20_N2_O7 ---CCC-C--C-COCCCCC-------O-- 133 33542 0 0 R/RAC.sdf 0.286 0.800 0.700 12 25 29.000 H18_C18_N2_O5 ----------C-CO---CC-C--CNCOOC 134 6224 0 0 5/53U.sdf 0.279 0.618 0.704 12 26 37.000 H25_C21_N3_O2 ------------C-CCCCCC---CN-OOC 135 11338 0 0 9/99P.sdf 0.279 0.618 0.690 12 26 37.000 H24_C20_N4_O2 ------------C-CCCCCC---CN-OOC 136 22182 0 0 H/HOF.sdf 0.279 0.897 0.721 12 26 25.000 H24_C19_N2_O5 ----------C-CO---CC-C--CNCOOC 137 30858 0 0 P/P05.sdf 0.279 0.618 0.690 12 26 37.000 H24_C20_N4_O2 ------------C-CCCCCC---CN-OOC 138 27578 0 0 M/MEL.sdf 0.277 0.765 0.691 13 31 47.000 H31_C22_N5_O4 ------------C-CCCCCCC--CN-OOC 139 28122 0 0 M/MVF.sdf 0.277 0.765 0.699 13 31 47.000 H32_C22_N6_O3 ------------C-CCCCCCC--CN-OOC 140 207 0 0 0/06P.sdf 0.273 0.647 0.691 12 27 37.000 H27_C21_N4_O2 ------------C-CCCCCC---CN-OOC 141 1180 0 0 1/10P.sdf 0.273 0.647 0.701 12 27 37.000 H27_C21_N4_O2 ------------C-CCCCCC---CN-OOC 142 2484 0 0 2/22U.sdf 0.273 0.600 0.687 12 27 37.000 H24_C21_N3_O2_CL ------------C-CCCCCC---CN-OOC 143 3867 0 0 3/37U.sdf 0.273 0.600 0.687 12 27 37.000 H24_C21_N3_O2_F ------------C-CCCCCC---CN-OOC 144 6156 0 0 5/51U.sdf 0.273 0.647 0.715 12 27 37.000 H27_C22_N3_O2 ------------C-CCCCCC---CN-OOC 145 7506 0 0 6/64U.sdf 0.273 0.600 0.687 12 27 37.000 H30_C21_N3_O2_CL ------------C-CCCCCC---CN-OOC 146 27533 0 0 M/MD8.sdf 0.273 0.647 0.700 12 27 37.000 H25_C21_N3_O3 ------------C-CCCCCC---CN-OOC 147 39261 0 0 V/VWK.sdf 0.273 0.697 0.688 12 27 22.000 H20_C22_N2_O3 C----C------C--CC-C---CCNC-OC 148 15881 0 0 C/CT2.sdf 0.268 0.793 0.720 11 23 45.000 H27_C19_N_O3 ------------C-CCCCCC---CN--OC 149 27706 0 0 M/MIN.sdf 0.267 0.676 0.693 12 28 38.000 H34_C22_N4_O2 ------------C-CCCCCC---CN-OOC 150 39258 0 0 V/VVN.sdf 0.217 0.750 0.690 10 27 25.000 H21_C21_N3_O3 -C---C---------CCCC-C--C---OC [ATOM_MATCHING] 1 |1 10|2 12|3 15|4 19|5 16|6 13|8 24|11 8|12 4|13 1|15 2|16 5|17 9|18 7|19 3|20 11|21 14|23 20|24 22|27 18 2 |1 16|2 3|3 15|4 14|5 13|6 12|11 17|12 18|13 5|15 2|16 1|17 4|18 19|19 6|21 10|23 9|24 8|27 21|28 23 3 |1 16|2 17|3 18|4 19|5 20|6 21|11 15|12 14|13 11|15 10|16 9|17 8|18 13|19 12|21 5|23 3|24 2|27 6 4 |1 6|2 1|3 2|4 3|5 4|6 5|11 7|12 8|13 9|15 10|16 11|17 14|18 13|19 12|21 16|23 20|24 21|27 17|28 23 5 |1 18|2 19|3 20|4 21|5 22|6 23|13 17|14 24|15 4|16 5|17 6|18 15|19 16|20 7|21 8|23 10|24 11|25 12|28 14 6 |1 17|2 16|3 3|4 2|5 4|6 18|7 13|8 1|9 14|10 15|11 5|13 7|15 8|16 9|17 10|18 11|19 12 7 |1 7|2 6|3 5|4 4|5 2|6 3|11 8|12 9|13 10|15 11|16 12|17 15|18 14|19 13|20 16|23 18|24 20|28 21 8 |1 6|2 1|3 2|4 3|5 4|6 5|11 7|12 8|13 9|15 10|16 11|17 14|18 13|19 12|20 15|23 21|24 23|27 19|28 25 9 |1 19|2 20|3 21|4 22|5 27|6 28|10 26|11 17|13 14|14 18|15 11|16 7|17 8|18 12|19 13|21 6|23 4|24 3|25 9|29 2 10 |1 6|2 1|3 2|4 3|5 4|6 5|11 7|13 9|15 10|16 11|17 12|18 13|19 14|21 16|23 19|24 20|27 22|28 23 11 |1 12|2 13|3 14|4 15|5 16|6 17|11 11|12 10|13 7|15 6|16 5|17 4|18 9|19 8|20 3|21 2|24 21 12 |1 22|2 23|3 24|4 25|5 29|6 30|7 26|11 20|14 21|17 14|18 15|19 16|21 9|22 8|23 7|24 6|25 3|26 2|27 10|29 4 13 |1 22|2 23|3 24|4 25|5 26|6 27|11 21|12 8|13 20|15 19|16 18|17 17|18 29|19 28|20 16|21 15|24 13|25 2|28 3|29 11 14 |1 6|2 1|3 2|4 3|5 4|6 5|11 7|12 8|13 9|15 10|16 11|17 14|18 13|19 12|21 16|27 17 15 |1 20|2 21|3 22|4 23|5 24|6 25|11 19|13 15|15 14|16 13|17 12|18 17|19 16|23 5|24 2|25 3|27 11|28 1 16 |1 7|2 12|3 11|4 10|5 9|6 8|13 2|15 3|16 4|17 5|18 6|19 19|21 14|23 20|24 16|25 25|26 17|27 18|29 21 17 |1 24|2 21|3 26|4 28|5 29|6 27|11 25|13 9|14 35|15 22|16 20|17 6|18 8|19 23|22 32|23 13|24 10|25 30|26 11|27 34|29 12 18 |1 4|2 3|3 2|4 19|5 1|6 5|10 18|13 7|14 21|15 8|16 9|17 10|18 11|19 12|21 24|23 26|24 13|25 27|29 28 19 |1 6|2 1|3 2|4 3|5 4|6 5|11 7|12 8|13 9|15 10|16 11|17 14|18 13|19 12|20 15|21 16|24 21|28 22|29 24 20 |1 21|2 22|3 23|4 24|5 25|6 26|12 17|13 14|14 20|15 13|16 12|17 11|18 16|19 15|21 2|23 4|24 5|27 1 21 |1 18|2 19|3 23|4 22|5 21|6 20|7 24|11 17|13 15|15 12|16 11|17 10|18 13|19 14|21 7|23 4|24 2|28 3 22 |1 6|2 8|3 10|4 11|5 12|6 13|7 2|13 4|15 1|16 23|17 16|18 15|19 14|20 17|21 18|23 20|24 21 23 |1 3|2 4|3 5|4 6|5 7|6 8|11 2|13 10|14 1|15 11|16 12|17 15|18 14|19 13|20 16|27 20 24 |1 15|2 16|3 17|4 18|5 19|6 20|11 14|12 13|13 9|15 8|16 7|17 12|18 11|19 10|21 3|24 6 25 |1 14|2 15|3 16|4 17|5 18|6 19|11 13|12 12|13 9|15 8|16 7|17 6|18 11|19 10|20 5|27 35 26 |1 16|2 15|3 14|4 19|5 18|6 17|11 13|12 12|13 11|15 9|16 7|17 6|18 8|19 10|20 5|27 42 27 |1 10|2 13|3 17|4 20|5 18|6 14|8 5|11 8|13 9|15 11|16 15|17 19|18 16|19 12|20 21|23 25|24 26|28 27 28 |1 7|2 6|3 5|4 20|5 19|6 18|8 24|11 16|13 14|14 17|15 4|16 12|17 1|18 9|19 13|20 2|27 10 29 |1 3|2 4|3 5|4 6|5 7|6 8|11 2|13 11|14 1|15 10|16 14|17 15|18 16|19 17|20 18|27 21 30 |1 1|2 20|3 8|4 9|5 10|6 11|8 6|11 12|13 15|14 13|15 4|16 3|17 17|18 2|19 16|20 5 31 |1 17|2 8|3 9|4 10|5 20|6 21|7 18|8 11|11 7|13 14|14 16|15 4|16 3|17 2|18 1|19 6 32 |1 14|2 3|3 15|4 16|5 4|6 5|11 13|13 11|14 24|16 6|19 10|20 8|21 7|22 21|23 1|24 18|27 22 33 |1 9|2 3|3 2|4 4|5 6|6 8|11 10|13 12|15 13|16 17|17 16|18 15|19 14|21 19|23 22|27 20 34 |1 3|2 5|3 16|4 17|5 18|6 19|11 15|13 11|15 9|16 7|17 6|18 13|19 12|21 2|23 8|27 4 35 |1 13|2 21|3 10|4 1|5 11|6 12|8 8|11 2|13 3|14 14|15 4|16 5|17 6|18 16|19 17|20 18 36 |2 8|3 9|4 10|5 11|6 12|12 22|13 5|15 6|16 1|17 2|18 3|19 4|20 13|21 14|23 16|24 17 37 |1 14|2 15|3 16|4 17|5 18|6 19|11 13|12 12|13 8|15 7|16 6|17 11|18 10|19 9|21 3 38 |1 14|2 15|3 16|4 17|5 18|6 19|11 13|12 12|13 8|15 7|16 6|17 11|18 10|19 9|21 3 39 |1 14|2 15|3 16|4 17|5 18|6 19|11 13|12 12|13 8|15 7|16 6|17 11|18 10|19 9|21 3 40 |1 14|2 15|3 16|4 17|5 18|6 19|11 13|12 12|13 8|15 7|16 6|17 11|18 10|19 9|21 3 41 |1 4|2 3|3 2|4 1|5 6|6 5|11 21|13 17|15 16|16 15|17 14|18 19|19 18|23 9|24 8|27 12 42 |2 17|3 3|4 18|5 19|6 4|12 16|13 7|15 8|16 9|17 10|18 5|19 6|20 11|21 12|23 1|24 14 43 |1 7|2 9|3 13|4 8|5 12|6 11|11 17|12 19|13 4|15 3|16 2|17 16|18 6|19 5|20 15|27 38 44 |1 3|2 17|3 4|4 18|5 5|6 19|7 22|8 20|11 1|13 10|15 9|16 8|17 13|18 12|19 11|20 14 45 |1 11|2 10|3 6|4 7|5 13|6 3|11 2|14 8|15 5|16 4|17 14|18 15|19 16|20 17|27 33 46 |1 6|2 4|3 10|4 9|5 8|6 7|11 11|13 12|14 3|15 13|16 14|17 15|18 16|19 17|21 18 47 |1 14|2 15|3 17|4 19|5 18|6 16|11 12|14 13|15 9|16 7|17 6|18 8|19 10|20 5|27 20 48 |1 7|2 8|3 9|4 10|5 11|6 12|11 6|12 20|13 5|15 4|16 3|17 14|18 13|19 16|21 1 49 |1 13|2 14|3 15|4 17|5 22|6 25|8 20|10 21|11 11|13 9|14 12|15 8|16 7|17 6|18 5|19 27|21 3 50 |1 12|2 2|3 17|4 14|5 1|6 13|10 16|11 11|13 9|14 18|15 3|16 19|17 20|18 7|19 8|21 4 51 |1 9|2 8|3 4|4 5|5 6|6 7|11 10|13 21|14 11|15 13|16 14|17 15|18 19|19 20|20 16|21 18 52 |1 5|2 6|3 7|4 8|5 26|6 27|11 4|12 25|13 15|15 14|16 13|17 12|18 17|19 16|23 3|24 2|27 22|28 24 53 |1 8|5 3|6 5|13 9|15 16|16 11|17 17|18 10|19 6|20 18|21 13|22 21|23 12|24 1|27 19 54 |1 12|2 11|3 10|4 9|5 8|6 13|11 14|13 15|14 20|15 1|16 16|17 2|18 3|19 4|21 5 55 |1 23|2 2|3 3|4 4|5 5|6 13|11 22|13 21|14 30|15 14|16 16|17 18|18 19|19 20|21 12|22 27|23 1|27 28 56 |1 11|2 10|3 9|4 8|5 7|6 12|7 22|8 13|11 15|13 2|15 18|16 3|17 19|18 20|19 4|20 5 57 |1 20|2 21|3 22|4 23|5 24|6 25|11 19|13 17|15 13|16 11|17 6|18 7|19 8|20 5|23 2|24 3 58 |1 14|2 21|3 20|4 19|5 18|6 15|11 13|12 12|13 11|15 10|16 6|17 7|18 8|19 9|21 3 59 |1 17|2 18|3 19|4 20|5 21|6 22|11 15|12 14|13 13|14 16|16 9|17 10|18 11|19 12|21 8 60 |1 17|2 18|3 19|4 20|5 21|6 22|11 15|12 14|13 13|14 16|16 9|17 10|18 11|19 12|21 8 61 |1 6|2 4|3 12|4 11|5 10|6 8|11 13|13 14|14 3|15 15|16 16|17 17|18 18|19 19|21 20 62 |2 20|3 19|4 18|5 17|6 16|12 29|13 12|15 11|16 10|17 9|18 14|19 13|20 8|21 7|23 2|24 3|27 28 63 |1 8|2 21|3 22|4 23|5 6|6 7|13 12|15 11|16 20|17 15|18 14|19 13|20 16|21 17|27 19 64 |1 8|2 7|3 6|4 4|5 3|6 9|8 1|11 10|13 16|14 11|15 21|16 20|17 19|18 18|19 17 65 |1 4|2 3|3 2|4 12|5 11|6 22|11 5|13 18|14 14|15 17|16 21|17 9|18 8|19 7|21 10 66 |1 11|2 13|3 5|4 14|5 17|6 18|11 9|13 2|14 4|15 1|16 20|17 21|18 23|19 3|21 22 67 |1 5|2 4|3 3|4 22|5 21|6 20|11 6|13 12|14 7|15 11|16 19|17 16|18 14|19 13|21 18 68 |1 2|2 15|3 1|4 12|5 11|6 10|11 3|13 19|14 16|15 18|16 9|17 7|18 6|19 20|21 8 69 |1 4|2 3|3 2|4 16|5 15|6 14|8 1|12 19|13 7|14 22|15 8|16 9|17 10|18 11|19 13 70 |1 17|2 18|3 19|4 20|5 21|6 22|7 23|8 26|13 4|17 11|18 7|19 1|21 12|22 28|23 30|24 29|27 13 71 |1 26|2 27|3 11|4 23|5 7|6 9|13 6|15 24|16 10|17 25|18 8|19 5|21 18|23 16|24 15|29 13 72 |1 26|2 27|3 8|4 6|5 5|6 7|13 9|15 24|16 11|18 10|19 23|20 18|21 17|23 15|24 14|29 12 73 |4 13|5 14|6 5|8 1|11 16|13 7|14 17|15 10|16 11|17 21|18 20|19 19|21 24|22 26|23 27|24 28|27 25 74 |1 6|2 1|3 2|4 3|5 4|6 5|13 8|15 9|16 10|17 13|18 12|19 11|21 15|23 17|29 21 75 |1 16|2 17|3 24|4 23|5 22|6 21|11 15|12 14|13 13|15 12|16 7|17 8|18 9|19 10|21 4 76 |1 11|2 5|3 6|4 7|5 9|6 10|13 16|15 14|16 15|17 19|18 18|19 17|21 21|23 23|24 24|29 26 77 |1 9|2 10|3 11|4 12|5 13|6 14|11 7|13 6|14 8|18 4|19 5|20 16|23 20|27 19 78 |1 12|2 4|3 5|4 6|5 10|6 11|7 7|13 16|15 17|16 21|17 20|18 19|19 18|21 23|23 25|24 26|29 28 79 |1 4|2 17|3 18|4 1|5 2|6 3|11 5|13 8|15 7|16 16|17 12|18 11|19 9|20 13|27 24 80 |1 17|2 18|3 19|4 20|5 21|6 22|11 16|18 27|19 26|20 9|21 8|23 28|24 30|25 33|26 29|28 31|29 32 81 |2 2|3 3|4 6|6 10|12 13|13 14|15 15|16 16|17 19|18 18|19 17|21 21|24 25|27 22|28 26 82 |1 10|2 8|3 7|4 9|5 1|6 2|11 20|12 26|13 12|15 5|16 3|17 11|18 4|19 6|21 14|27 25 83 |1 12|2 11|3 10|4 16|5 14|6 13|7 1|8 2|11 19|13 22|14 20|15 3|16 4|17 23|18 5|19 25 84 |1 13|2 8|3 9|4 10|5 11|6 12|11 14|12 16|14 15|15 19|16 20|17 21|18 22|19 23 85 |2 4|3 1|4 13|5 12|6 10|12 3|13 14|15 15|16 16|17 17|18 18|19 19|20 21|27 11 86 |1 12|6 14|11 11|12 28|13 10|15 9|16 8|17 7|18 30|19 29|21 3|24 18|25 20|27 27|28 19|29 21 87 |1 6|2 5|3 1|4 2|5 3|6 4|8 22|13 17|14 21|15 12|16 13|17 14|18 15|19 16 88 |1 4|2 14|3 15|4 16|5 17|6 18|11 13|12 12|13 3|15 2|16 11|17 10|18 1|19 9|23 23 89 |1 14|2 1|3 3|4 16|5 2|6 15|11 17|13 4|14 25|15 5|16 6|17 20|18 7|19 21 90 |1 13|2 11|3 9|4 7|5 4|6 1|13 15|14 3|15 16|16 17|17 18|18 19|19 20|21 21 91 |1 12|5 6|6 8|13 13|15 25|16 14|17 23|18 10|19 9|20 17|21 15|24 21|28 2|29 20 92 |1 10|2 13|3 12|4 11|5 21|6 20|11 19|15 8|16 18|18 16|19 17|21 23|22 29|23 14|27 28 93 |4 12|5 13|6 8|11 6|13 1|14 21|15 16|16 4|17 2|18 3|19 15|20 14|27 19 94 |1 17|2 18|3 19|4 22|5 21|6 20|11 16|13 11|15 9|16 10|17 14|18 13|19 12 95 |1 3|2 2|3 22|4 21|5 20|6 19|13 12|14 1|15 13|16 14|17 15|18 17|19 18|20 16 96 |1 15|2 16|3 17|4 18|5 19|6 20|11 14|15 21|16 22|18 11|19 12|21 24|22 30|23 25|27 29 97 |1 8|2 7|3 6|4 5|5 10|6 9|11 11|14 12|20 18|21 19|23 22|24 23|27 20|28 24|29 26 98 |1 26|2 7|3 6|4 8|5 27|6 11|11 22|12 24|13 29|15 30|16 12|17 28|18 9|19 10|27 5 99 |1 7|4 12|5 11|6 10|11 8|13 15|14 9|15 16|16 17|17 18|18 22|19 23|20 19 100 |1 15|2 16|3 22|4 21|5 18|6 17|8 24|11 4|13 6|15 7|16 8|17 9|18 13|19 14|20 10 101 |1 14|4 17|5 16|6 15|11 12|13 10|14 13|15 7|16 6|17 5|18 8|19 9|20 4|27 1 102 |1 21|2 20|3 26|4 24|5 23|6 22|10 27|12 28|13 15|15 8|16 10|17 11|18 12|19 14 103 |1 8|4 13|5 12|6 11|11 9|13 16|14 10|15 17|16 18|17 19|18 23|19 24|20 20 104 |1 3|2 4|3 5|4 6|5 7|6 8|11 2|19 12|20 19|22 27|23 28|24 29|25 31|28 30|29 32 105 |1 13|2 14|3 15|4 9|5 11|6 12|8 16|11 10|13 7|14 19|15 6|16 21|17 8|18 22|19 23 106 |1 22|5 24|6 23|13 19|15 16|16 15|17 14|18 17|19 18|21 6|22 5|23 2|24 4|27 7 107 |1 9|4 14|5 13|6 12|11 10|13 17|14 11|15 18|16 19|17 20|18 24|19 25|20 21 108 |1 5|5 1|6 6|12 8|15 15|16 10|17 11|18 12|20 16|21 17|22 18|23 19|27 20 109 |1 9|4 10|5 4|6 5|8 14|11 12|13 6|14 19|18 1|19 7|20 22|21 23|27 24 110 |11 13|12 24|13 1|15 2|16 3|17 17|18 18|19 19|23 10|24 11|25 30|27 28|28 29|29 12 111 |1 6|6 5|13 7|15 8|16 10|17 12|18 11|19 9|21 19|23 23|27 21|28 25|29 27 112 |1 11|4 16|5 15|6 14|11 12|13 19|14 13|15 20|16 21|17 22|18 26|19 27|20 23 113 |1 11|4 16|5 15|6 14|11 12|13 19|14 13|15 20|16 21|17 22|18 26|19 27|20 23 114 |1 11|4 16|5 15|6 14|11 12|13 19|14 13|15 20|16 21|17 22|18 26|19 27|20 23 115 |4 8|5 20|6 13|8 1|10 27|11 11|13 16|14 18|15 6|16 24|17 7|18 9|19 21 116 |2 23|5 25|6 8|7 7|8 10|11 6|13 20|14 17|15 5|16 3|17 2|18 1|19 21 117 |11 15|13 12|15 11|16 10|17 18|18 17|19 16|24 2|25 3|26 4|28 1|29 5 118 |13 4|15 3|16 2|17 1|18 6|19 5|20 8|21 9|23 28|24 29|25 32|27 10|28 30|29 31 119 |1 12|4 17|5 16|6 15|11 13|13 20|14 14|15 21|16 22|17 23|18 27|19 28|20 24 120 |1 12|4 17|5 16|6 15|11 13|13 20|14 14|15 21|16 22|17 23|18 27|19 28|20 24 121 |2 7|5 5|6 4|7 16|8 3|11 8|13 14|14 20|15 24|16 25|17 15|18 26|19 27 122 |1 16|2 22|3 21|4 20|5 19|6 18|11 15|13 7|14 17|17 4|18 5|19 6|20 11 123 |1 12|4 17|5 16|6 15|11 13|13 20|14 14|15 21|16 22|17 23|18 27|19 28|20 24 124 |1 12|4 17|5 16|6 15|11 13|13 20|14 14|15 21|16 22|17 23|18 27|19 28|20 24 125 |1 9|6 10|7 22|8 23|13 6|15 1|16 2|17 3|18 4|19 5|20 13|21 14|27 17 126 |1 22|4 5|5 24|6 23|11 21|13 19|14 3|15 16|16 17|17 4|18 15|19 18|20 2 127 |2 17|5 15|6 12|7 24|11 1|13 5|14 2|15 6|16 7|17 8|18 9|19 10 128 |13 4|15 3|16 2|17 1|18 6|19 5|20 8|21 9|23 28|24 30|25 33|27 10|28 31|29 32 129 |1 13|4 18|5 17|6 16|11 14|13 21|14 15|15 22|16 23|17 24|18 28|19 29|20 25 130 |1 8|4 4|5 6|6 7|8 1|11 9|14 10|15 13|19 15|20 18|21 19|27 20|29 29 131 |1 11|4 8|5 9|6 10|11 13|13 15|14 23|15 24|16 25|17 26|18 28|19 29|20 27 132 |4 22|5 19|6 18|8 24|11 15|13 6|14 28|15 7|16 8|17 9|18 13|19 14|27 12 133 |11 23|13 21|14 25|18 17|19 22|21 13|24 7|25 8|26 9|27 14|28 11|29 10 134 |13 11|15 9|16 7|17 6|18 8|19 10|20 5|24 14|25 19|27 4|28 15|29 20 135 |13 11|15 9|16 7|17 6|18 8|19 10|20 5|24 14|25 19|27 4|28 15|29 20 136 |11 15|13 19|14 18|18 11|19 20|21 8|24 3|25 4|26 1|27 21|28 26|29 2 137 |13 11|15 9|16 7|17 6|18 8|19 10|20 5|24 14|25 25|27 4|28 15|29 19 138 |13 4|15 3|16 2|17 1|18 6|19 5|20 8|21 9|24 13|25 15|27 10|28 14|29 16 139 |13 4|15 3|16 2|17 1|18 6|19 5|20 8|21 9|24 13|25 15|27 10|28 14|29 16 140 |13 11|15 9|16 7|17 6|18 8|19 10|20 5|24 14|25 19|27 4|28 15|29 20 141 |13 11|15 9|16 7|17 6|18 8|19 10|20 5|24 14|25 26|27 4|28 15|29 19 142 |13 11|15 9|16 7|17 6|18 8|19 10|20 5|24 14|25 19|27 4|28 15|29 20 143 |13 11|15 9|16 7|17 6|18 8|19 10|20 5|24 14|25 22|27 4|28 15|29 21 144 |13 11|15 9|16 7|17 6|18 8|19 10|20 5|24 14|25 19|27 4|28 15|29 20 145 |13 4|15 3|16 2|17 1|18 6|19 5|20 9|24 14|25 19|27 11|28 15|29 20 146 |13 2|15 4|16 15|17 17|18 18|19 19|20 20|24 8|25 24|27 3|28 26|29 9 147 |1 19|6 17|13 9|16 7|17 8|19 10|23 20|24 1|25 2|26 3|28 26|29 5 148 |13 15|15 14|16 13|17 12|18 17|19 16|20 11|24 7|25 6|28 8|29 5 149 |13 11|15 9|16 7|17 6|18 8|19 10|20 5|24 15|25 20|27 4|28 16|29 21 150 |2 16|6 21|16 7|17 23|18 11|19 10|21 6|24 2|28 25|29 4 [SUPERPOSITION] #[rank(1)] [Natompair(2)] [RMSD(3)] #[rot_axisX(4)] [rot_axisY(5)] 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