#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/D01703.sdf -osc ./DKCOMBU_PDBLIG_20240403/D01703 #DATE_START Apr 9,2024 2:16:27 #DATE_END Apr 9,2024 2:16:45 #COMP_TIME_PROGRESS 0.209533 seconds #COMP_TIME 17.880721 seconds #QUERY_FILENAME ./SDF_2D/D01703.sdf #QUERY_NAME D01703 #QUERY_FILETYPE S #QUERY_MOLFORMULA H4_C32_O7 #QUERY_NATOM 43 #QUERY_NHEAVYATOM 39 #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 31886 #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]:CCCCCCCCCCCCCCCCCOCCOCOCOCCOCCOOCCCCCCC # [ring_for_query]:aaaaaaaaaaaaaaaaa aaabbbbbb # [atom_number_for_query]: 111111111122222223333333334444 # :123456789012345678934567890123456890123 #[rk][num][name] [sMCS][sONE][sPAIR][Npair][Nhvyatm][seldis][molform] :--------------------------------------- 1 15954 0 0 C/CV7.sdf 0.825 0.872 0.873 33 34 6.000 H38_C28_O6 CCCCCCCCCCCCCCCCCOCCOCOC------OOCCCCCCC 2 13562 0 0 A/A1ACE.sdf 0.688 0.761 0.816 33 42 21.000 H39_C35_N_O6 CCCCCCCCCCCCCCCCCOCCOCOC------OOCCCCCCC 3 38077 0 0 U/UU0.sdf 0.643 0.769 0.762 27 30 62.000 H32_C24_O6 CCCCCCCCCCCCCCCCCOCC-COCOCCO----------- 4 10667 0 0 8/8W5.sdf 0.628 0.795 0.774 27 31 12.000 H34_C25_O6 CCCCCCCCCCCCCCCCCOCCOCOC------OOC------ 5 27893 0 0 M/MOF.sdf 0.609 0.805 0.757 28 35 45.000 H30_C27_O6_CL2 CCCCCCCCCCCCCCCCCOCCOCOC---------CC--CC 6 41790 0 0 Y/YUV.sdf 0.568 0.769 0.767 25 30 47.000 H42_C27_O3 CCCCCCCCCCCCCCCCCOCC-----------OC-CCC-- 7 9892 0 0 8/82R.sdf 0.556 0.795 0.793 25 31 43.000 H44_C27_O4 CCCCCCCCCCCCCCCCCOCC-----------OC-CCC-- 8 28091 0 0 M/MUF.sdf 0.556 0.795 0.773 25 31 75.000 H32_C27_O4 CCCCCCCCCCCCCCCCC-CC-------------CCCCCC 9 17642 0 0 E/E7U.sdf 0.543 0.821 0.810 25 32 56.000 H44_C27_O5 CCCCCCCCCCCCCCCCCOCC-----------OC-CCC-- 10 14349 0 0 B/BLD.sdf 0.521 0.698 0.776 25 34 79.000 H48_C28_O6 CCCCCC-CCCCCCCCCCOCC-C-C-CC-CC--------- 11 1822 0 0 1/1KG.sdf 0.490 0.738 0.777 24 34 45.000 H48_C30_O4 CCCCCCCCCCCCCCCCCOCC-----CC-CC--------- 12 17161 0 0 D/DU0.sdf 0.462 0.900 0.842 24 37 53.000 H52_C32_O5 CCCCCCCCCCCCCCCCC-CC-----------OC-CCC-- 13 34417 0 0 R/RBR.sdf 0.453 0.833 0.769 24 38 77.000 H53_C32_N2_O4 CCCCCCCCCCCCCCCCCOCC---C--------C-CC--- 14 42176 0 0 Y/YIJ.sdf 0.453 0.833 0.819 24 38 82.000 H39_C31_N_O6 C-CCCCCCCCCCCC--C-C-OC-C---------CCCCCC 15 9507 0 0 7/7VX.sdf 0.449 0.821 0.760 22 32 91.000 H44_C29_O3 CCCCCCCCCCCCCCCC-OC--CO---------C-C---- 16 12062 0 0 9/9Z9.sdf 0.444 0.773 0.820 24 39 53.000 H56_C34_O5 CCCCCCCCCCCCCCCCC-CC-----------OC-CCC-- 17 16509 0 0 D/DAY.sdf 0.442 0.829 0.778 23 36 57.000 H36_C30_N2_O4 CCCCCCCCCCCCCCCCC-CCOCOC--------------- 18 1146 0 0 0/06L.sdf 0.440 0.800 0.753 22 33 106.000 H48_C30_O3 CCCCCCCCCCCCCCCC-OC--CO---------C-C---- 19 8183 0 0 6/6Q5.sdf 0.440 0.846 0.764 22 33 105.000 H48_C30_O3 CCCCCCCCCCCCCCCC-OC--CO---------C-C---- 20 13921 0 0 B/B8F.sdf 0.440 0.846 0.764 22 33 105.000 H46_C30_O3 CCCCCCCCCCCCCCCC-OC--CO---------C-C---- 21 32737 0 0 Q/QZQ.sdf 0.440 0.800 0.753 22 33 106.000 H46_C30_O3 CCCCCCCCCCCCCCCC-OC--CO---------C-C---- 22 41562 0 0 Y/YNU.sdf 0.438 0.769 0.788 21 30 76.000 H30_C24_O6 CCCCCCCCCCCCCCC--OCC-----------OC-C---- 23 15279 0 0 C/CBW.sdf 0.431 0.872 0.774 22 34 95.000 H46_C30_O4 CCCCCCCCCCCCCC-CCOC-O--C-C-O----------- 24 22294 0 0 H/HVL.sdf 0.431 0.872 0.798 22 34 85.000 H52_C30_O4 ---CC-CCCCCCCCC-C-CCOC----------C-CCCCC 25 3313 0 0 2/2S0.sdf 0.423 0.850 0.801 22 35 51.000 H37_C30_N_O4 CCCCCCCCCCCCCCCCCO-C-COC--------------- 26 21632 0 0 H/HJ4.sdf 0.423 0.805 0.757 22 35 66.000 H41_C32_N_O2 CCCCCCCCCCCCCCCCCO-C-C-C-C------------- 27 23604 0 0 J/J3M.sdf 0.423 0.850 0.795 22 35 125.000 H29_C30_N_O4 ---C--CCCCCCCC--C------C-CC-CC--CCCCCCC 28 5121 0 0 4/486.sdf 0.420 0.775 0.752 21 32 62.000 H35_C29_N_O2 CCCCCCCCCCCCCCCCCO-C-C-C--------------- 29 23027 0 0 I/I8K.sdf 0.414 0.783 0.795 24 43 62.000 H55_B_C35_N_O6 CCCCCCCCCCCCCCCCCOCC-C-C-C-O----------- 30 25575 0 0 K/KZB.sdf 0.414 0.783 0.806 24 43 62.000 H54_C33_O10 CCCCCCCCCCCCCCCCC-CC-----------OC-CCC-- 31 10988 0 0 8/88K.sdf 0.412 0.846 0.776 21 33 89.000 H52_C30_O3 CCCCCCCCCC--CCCC-OCC------------CCC---C 32 13511 0 0 A/AQR.sdf 0.412 0.846 0.775 21 33 89.000 H38_C29_O4 CCCCCCCCCCCCCC-CCO-C---C-C-O----------- 33 5313 0 0 4/4DV.sdf 0.393 0.773 0.748 22 39 138.000 H31_C34_N_O2_F_CL -CCCC-CCCC-CC-CCC------C-C-O-----CCCCCC 34 7527 0 0 6/65P.sdf 0.393 0.773 0.758 22 39 133.000 H32_C31_N2_O4_F2 CCCCCC----CCCC--C------C-CC-CC--CCCC-CC 35 11336 0 0 9/99N.sdf 0.387 0.792 0.761 24 47 73.000 H56_C37_N2_O7_S CCCCCCCCCCCCCCCCC-CC-C-C-C-O-C--------- 36 17955 0 0 E/EJ9.sdf 0.386 0.795 0.769 22 40 126.000 H39_C32_N_O6_S ---CC-CCCCCC----C-CC---C-CC-CC--CCCC-CC 37 12763 0 0 A/AF7.sdf 0.382 0.854 0.790 21 37 105.000 H48_C32_O5 CCCCCCCCCCCCCCCC--C-O-----------C-CC--- 38 38818 0 0 V/VED.sdf 0.380 0.769 0.749 19 30 136.000 H18_C24_O6 ---CC-CCCC-CC-CCC--------------OCCCCCCC 39 626 0 0 0/0MA.sdf 0.377 0.872 0.775 20 34 102.000 H46_C30_O4 CCCCCCCCCC--CCCC-OCC------------C-CC--- 40 10977 0 0 8/8L6.sdf 0.368 0.902 0.844 21 39 131.000 H42_C30_O9 CCCCCCCCCC-CC-CCC-C--CO----OCC--------- 41 18635 0 0 F/F0A.sdf 0.365 0.775 0.765 19 32 51.000 H33_C27_N_O4 CCCCCCCCCCC---CC-O----O----------CCCC-- 42 18276 0 0 E/ETW.sdf 0.364 0.786 0.754 20 36 65.000 H21_C29_N_O6 CCCCCC--CCC-C-C--O---CO----------CCCCCC 43 35435 0 0 S/SXJ.sdf 0.364 0.829 0.752 20 36 107.000 H43_C31_N_O4 CCCCCCCCCC--CCCC-OCC------------C-CC--- 44 15272 0 0 C/CBO.sdf 0.356 0.778 0.806 21 41 100.000 H50_C34_O7 CCCCCCCCCCCCCC-CC-C-O--C-C-O----------- 45 11529 0 0 9/9FU.sdf 0.353 0.769 0.750 18 30 87.000 H30_C25_O5 CCCCCCCCCC-CCC---OC---OC--------C------ 46 11527 0 0 9/9FR.sdf 0.353 0.769 0.750 18 30 87.000 H32_C25_O5 CCCCCCCCCC-CCC---OC---OC--------C------ 47 11122 0 0 9/923.sdf 0.352 0.825 0.757 19 34 112.000 H28_C27_O7 C--CCCCCCCC---CC-O-------------O-CCCCCC 48 17252 0 0 D/DX0.sdf 0.352 0.780 0.778 19 34 77.000 H40_C26_O8 CCCCCCCCCCC-CC----CC-----------OC-CC--- 49 9622 0 0 7/7T8.sdf 0.350 0.800 0.774 21 42 68.000 H37_C31_N_O10 ---CC-CCCCCCCCCC-OCC------------CCCC-CC 50 24510 0 0 J/JGU.sdf 0.350 0.841 0.788 21 42 156.000 H31_C33_N_O6_F2 CCCCCC--C-CCC--CC------C-------OCCCCCCC 51 12927 0 0 A/AKC.sdf 0.349 0.809 0.762 22 46 108.000 H39_C36_N3_O7 C---CCCCCCC---CC-----COC-C-O-C---CCCCCC 52 330 0 0 0/0AS.sdf 0.345 0.850 0.776 19 35 74.000 H48_C30_O5 ---CC-CCCCCCCCC-C-CC-C----------CCC---C 53 7115 0 0 5/5VN.sdf 0.345 0.850 0.767 19 35 74.000 H48_C30_O5 ---CC-CCCCCCCCC-C-CC-C----------CCC---C 54 34074 0 0 R/RX0.sdf 0.345 0.805 0.790 19 35 89.000 H40_C29_N2_O4 --CCCC-C--C---C--O---C-C-C---C--CCCCCCC 55 35972 0 0 T/T8B.sdf 0.339 0.804 0.778 21 44 125.000 H24_C32_O12 -CCC-CCC-C-CCC--CO-C-CO----------CCCCCC 56 4660 0 0 3/3VL.sdf 0.333 0.818 0.794 20 41 128.000 H35_C30_N_O10 CCC-CC-----CC-CCCO-C-CO--C------CCC--CC 57 20960 0 0 G/G3L.sdf 0.333 0.854 0.792 19 37 93.000 H34_C28_O9 ----C-CCCCCCCCCC--CC-C----------CCCCC-- 58 19767 0 0 F/FJL.sdf 0.328 0.809 0.779 21 46 100.000 H54_C36_O10 CCCCCCCCCCCCCC-CC-C-O--C-C-O----------- 59 41791 0 0 Y/YUY.sdf 0.324 0.661 0.814 24 59 53.000 H72_C44_O15 CCCCCCCCCCCCCCCCC-CC-----------OC-CCC-- 60 1465 0 0 1/18Y.sdf 0.323 0.830 0.794 21 47 147.000 H40_C33_O14 -CCCC-CCCCC-CC-CC------COC--------CCCCC 61 18212 0 0 E/ERT.sdf 0.323 0.822 0.782 20 43 131.000 H37_C31_N_O11 CCC-CC-----CC-CCCO-C-CO--C------CCC--CC 62 9312 0 0 7/7M4.sdf 0.322 0.857 0.770 19 39 61.000 H27_C30_O7_S_BR CCCCCC--CCCCCC---O---------------CCCCCC 63 16277 0 0 D/D3R.sdf 0.322 0.814 0.796 19 39 99.000 H32_C30_N2_O6_S ---CC-CCCCC---CCCO-----CO---CC--CCC---C 64 26022 0 0 L/L4B.sdf 0.321 0.795 0.763 17 31 104.000 H38_C27_O4 CCCC-C--C--CCCCCCOC--C----------C-C---- 65 29963 0 0 O/ODE.sdf 0.321 0.750 0.756 17 31 125.000 H24_C24_O7 -------CC-CC---CC------COCC----O-CCCCCC 66 23305 0 0 I/I7Y.sdf 0.320 0.650 0.798 24 60 53.000 H74_C45_O15 CCCCCCCCCCCCCCCCC-CC-----------OC-CCC-- 67 2314 0 0 1/1GF.sdf 0.317 0.766 0.763 20 44 98.000 H33_C35_O8_F -CCCC----C-CCCCCC--CO--C---------CCCCCC 68 2313 0 0 1/1AS.sdf 0.317 0.766 0.763 20 44 98.000 H33_C35_O8_F -CCCC----C-CCCCCC--CO--C---------CCCCCC 69 9216 0 0 7/7J9.sdf 0.317 0.837 0.757 19 40 61.000 H29_C30_O8_S_BR CCCCCC--CCCCCC---O---------------CCCCCC 70 30524 0 0 O/OGQ.sdf 0.317 0.837 0.766 19 40 83.000 H32_C33_N3_O4 CCCCCC---CC-CCC------CO----------CCCCCC 71 37941 0 0 U/U8L.sdf 0.316 0.786 0.754 18 36 106.000 H23_C30_N_O5 -CCCC-CCCCCCCC------OC-C-CC--C--------- 72 24433 0 0 J/JC6.sdf 0.312 0.787 0.784 20 45 95.000 H50_C32_O13 CCCCCCCCCCC-CC----CC-----------OC-CC--C 73 9247 0 0 7/7K6.sdf 0.311 0.860 0.759 19 41 61.000 H31_C31_O8_S_BR CCCCCC--CCCCCC---O---------------CCCCCC 74 12942 0 0 A/AKT.sdf 0.310 0.810 0.772 18 37 125.000 H33_C28_N_O8 CCC-CC--C-CC--C-CO--------------CCCCCCC 75 25998 0 0 L/L3D.sdf 0.309 0.756 0.749 17 33 97.000 H26_C27_N2_O4 ---C--CCCCCCCC--C------CO---CC--C-CC--- 76 6795 0 0 5/5LO.sdf 0.308 0.744 0.753 16 29 89.000 H30_C26_O3 ---CC-CCCCCCCC-CC-C------C-O------C---- 77 23921 0 0 J/JHH.sdf 0.308 0.744 0.754 16 29 97.000 H34_C24_O5 ---CC-CC--CCCCCCC-C-O--C--------C-C---- 78 38026 0 0 U/U60.sdf 0.308 0.744 0.749 16 29 73.000 H28_C25_O4 CC-CCCCCCCC---C----C-CO-----------CC--- 79 3605 0 0 2/2I4.sdf 0.306 0.723 0.768 19 42 64.000 H56_C36_O6 ---CC-CCCCCCCC-CCOCC-C----C-CC--------- 80 29083 0 0 N/NOD.sdf 0.306 0.761 0.751 19 42 116.000 H33_C29_N_O12 -CCCC----C-CCC-CC---OCOC----------CCCCC 81 25382 0 0 K/KRC.sdf 0.305 0.878 0.755 18 38 64.000 H27_C30_N_O7 CCCCCC--CCC------OC-------------CCCCCCC 82 31119 0 0 P/P9C.sdf 0.305 0.833 0.785 18 38 64.000 H33_C30_N_O7 CCCCCC-----C----C--CO-O---------CCCCCCC 83 8980 0 0 7/7BE.sdf 0.302 0.769 0.751 16 30 77.000 H30_C26_O4 ----CC--CCCCCCC---C------------OCCCC--C 84 10972 0 0 8/8H7.sdf 0.302 0.822 0.774 19 43 101.000 H29_C34_N3_O6 -C-CC-CCCCC--C-CC---O-----------CCCCCCC 85 23118 0 0 I/I61.sdf 0.302 0.783 0.829 19 43 107.000 H44_C34_O9 -CCCC--CCCCCCC-CCO----O--CC--C-O------- 86 1416 0 0 1/17L.sdf 0.300 0.857 0.747 18 39 65.000 H27_C30_N_O8 CCCCCC--CCC------OC-------------CCCCCCC 87 9070 0 0 7/7E1.sdf 0.300 0.857 0.768 18 39 70.000 H27_C30_O7_S_CL CCCCCC--CCCCCC---O----O---------CCC---C 88 27858 0 0 M/MNG.sdf 0.300 0.814 0.784 18 39 89.000 H31_C28_N_O10 CC-CC-CCCCC-CC-C-O--O----------OC-CC--- 89 8567 0 0 6/6I1.sdf 0.297 0.694 0.752 19 44 122.000 H26_C35_N2_O7 CC-CC-CCCC-C-C---OC-O------------CCCCCC 90 10752 0 0 8/8YZ.sdf 0.297 0.844 0.765 19 44 83.000 H34_C35_N2_O7 CCCCCC----C---CC--C----C-CC------CCCCCC 91 8205 0 0 6/6QS.sdf 0.293 0.786 0.755 17 36 102.000 H32_C30_N2_O4 -------CC--C-C-CC---O--COC------CCCCCCC 92 38433 0 0 V/VGP.sdf 0.293 0.829 0.819 17 36 94.000 H28_C27_O9 ---CC-CCCCCC-CCC----O-----CO-C--C-C---- 93 13140 0 0 A/AQ9.sdf 0.292 0.787 0.789 19 45 78.000 H50_C32_O13 CCCCCCCCCCC-CC----CC-----------OC-CC--- 94 24509 0 0 J/JGR.sdf 0.292 0.826 0.757 19 45 93.000 H35_C34_N2_O7_F_S -CCC--C-CC---CCC----O-----CO-C---CCCCCC 95 9240 0 0 7/7JY.sdf 0.290 0.860 0.757 18 41 70.000 H31_C31_O8_S_CL CCCCCC--CCCCCC---O----O---------CCC---C 96 13515 0 0 A/AQL.sdf 0.288 0.810 0.791 17 37 72.000 H29_C30_N_O6 ---CC-CCCC-CCC----C-O-----C------CCCC-C 97 16724 0 0 D/DH8.sdf 0.288 0.767 0.756 17 37 126.000 H34_C27_N2_O8 ---CC-CCC--CC--C--CC------------CCCCCCC 98 33601 0 0 R/RCG.sdf 0.288 0.810 0.764 17 37 102.000 H31_C29_N_O7 --------CCCCCCCC--C----------C--CCCCCCC 99 7828 0 0 6/6EU.sdf 0.288 0.848 0.792 19 46 104.000 H40_C37_O9 ------CCC-CCC-CC---C-C-C------OO-CCCCCC 100 2540 0 0 2/24L.sdf 0.286 0.800 0.761 18 42 65.000 H29_C32_N_O9 CCCCCC--CCC------OC-------------CCCCCCC 101 2441 0 0 2/21L.sdf 0.286 0.800 0.764 18 42 76.000 H29_C32_N_O9 CCCC-C--CC--CC---OC-------------CCCCCCC 102 16095 0 0 C/CZJ.sdf 0.286 0.841 0.755 18 42 105.000 H38_C30_N2_O10 -C-CC-CCCCCCC-----C-------------CCCCCCC 103 25204 0 0 K/KJJ.sdf 0.286 0.800 0.767 18 42 76.000 H41_C35_N2_O4_F C-C-CC-CCCC---C---C--C----------CCCCCCC 104 34689 0 0 S/S55.sdf 0.283 0.791 0.750 17 38 104.000 H36_C27_N2_O9 CCCCCC-C----CC-C-------COC------CC---CC 105 24434 0 0 J/JDF.sdf 0.281 0.780 0.776 16 34 78.000 H40_C26_O8 C--CC-CCCCCCCCCC--C---OC--------------- 106 23400 0 0 I/IVB.sdf 0.276 0.805 0.769 16 35 89.000 H32_C28_N2_O5 --------CCCCCCCC----O----CCO-C--CC----C 107 1077 0 0 0/0X8.sdf 0.271 0.705 0.747 16 36 91.000 H28_C28_O8 CCCC-C-C--CC-CC--O--OC-C-C-O----------- 108 9010 0 0 7/7CA.sdf 0.267 0.810 0.791 16 37 61.000 H32_C27_O10 ------------C-C-C-----OC--C-CCO-CCCCCCC 109 16884 0 0 D/DM3.sdf 0.267 0.767 0.762 16 37 84.000 H29_C27_N_O9 CCC--C--CCC--CCCCO--------------C-CCC-- 110 35136 0 0 S/SMQ.sdf 0.264 0.717 0.799 19 52 147.000 H38_C37_O15 -CCCC-CCCCCCCC------O---OCCO-CO-------- 111 7019 0 0 5/5SO.sdf 0.262 0.833 0.795 16 38 100.000 H48_C30_O8 CCCC--CCC----C-CC-C-O-O--------OC-C---- 112 15737 0 0 C/CP0.sdf 0.262 0.745 0.762 17 43 107.000 H38_C33_N4_O6 CC-CCCCCCC-----C---C------------CC-CCCC 113 406 0 0 0/0DV.sdf 0.259 0.780 0.756 15 34 92.000 H42_C26_O8 CCCC--CCC----C-CC-C-O----------OC-C---- 114 27691 0 0 M/MI4.sdf 0.258 0.814 0.752 16 39 68.000 H54_C36_O3 CCCCCCCC----------CC-------------CCCCCC 115 36308 0 0 T/TKD.sdf 0.258 0.814 0.752 16 39 68.000 H52_C36_O3 CCCCCCCC----------CC-------------CCCCCC 116 36305 0 0 T/TK3.sdf 0.258 0.814 0.752 16 39 68.000 H52_C36_O3 CCCCCCCC----------CC-------------CCCCCC 117 1683 0 0 1/1F5.sdf 0.258 0.804 0.792 17 44 121.000 H50_C33_O11 CCCC--CCC----C-C--C-O-O--------OCC---CC 118 12616 0 0 A/AAY.sdf 0.258 0.804 0.760 17 44 83.000 H49_C37_N_O6 CCCCCCCCCC-----C-----------------CCCCCC 119 15986 0 0 C/CW7.sdf 0.258 0.804 0.792 17 44 121.000 H50_C33_O11 CCCC--CCC----C-C--C-O-O--------OCC---CC 120 29098 0 0 N/NOV.sdf 0.258 0.729 0.754 17 44 102.000 H36_C31_N2_O11 CC-CC-CCCCCCC----OC--CO---C--C--------- 121 891 0 0 0/0V4.sdf 0.254 0.805 0.769 15 35 93.000 H44_C27_O8 CCCC--CCC----C-CC-C-O----------OC-C---- 122 30489 0 0 O/OD8.sdf 0.254 0.805 0.769 15 35 93.000 H48_C27_O8 CCCC--CCC----C-CC-C-O----------OC-C---- 123 2055 0 0 1/1RK.sdf 0.254 0.881 0.790 16 40 64.000 H33_C30_N3_O7 ---CC-CCCCC------O----O--CCO-C--C-CC--- 124 40594 0 0 X/XDR.sdf 0.254 0.881 0.754 16 40 75.000 H29_C32_N3_O5 -------CC-C--------C--O-OCC--CO--CCCCCC 125 6974 0 0 5/5R6.sdf 0.254 0.745 0.760 18 50 99.000 H41_C35_N_O14 -CCCC-CCCCC-CC-CC---O----------OC-CC--- 126 8445 0 0 6/6XQ.sdf 0.250 0.771 0.763 17 46 120.000 H45_C38_N3_O5 -CCC---CC---CCCCC----CO--CC-CC--C------ 127 13516 0 0 A/AWI.sdf 0.250 0.818 0.757 16 41 86.000 H35_C34_N_O6 -CCCC----C-CCCCCC--CO--C-----------CC-- 128 1139 0 0 0/0B8.sdf 0.246 0.720 0.765 17 47 94.000 H30_C37_N2_O8 C--CCCCCCC--C-CC-----C-COCCO----------- 129 1884 0 0 1/1MF.sdf 0.246 0.755 0.751 17 47 112.000 H39_C40_N_O6 -C-CC-CCCCCC--CC-----------------CCCCCC 130 22080 0 0 H/HY5.sdf 0.246 0.720 0.753 17 47 96.000 H57_C36_N_O10 C--CCCC-CC-----CC-C-O--COCC--CO-------- 131 24879 0 0 K/K5S.sdf 0.246 0.810 0.747 15 37 68.000 H27_C29_N_O5_F_CL ------CCC-CC----C--C------C-CC--C-CC-CC 132 12947 0 0 A/AKY.sdf 0.244 0.672 0.754 19 58 133.000 H53_C42_N_O15 CCC-CC-----CC-CCC--C-CO--C------CCC--CC 133 15271 0 0 C/CBN.sdf 0.239 0.796 0.761 17 49 106.000 H37_C35_N2_O11_CL CCCCC-CCCC----CCC-------OC-------CC---C 134 16890 0 0 D/DM9.sdf 0.239 0.804 0.777 16 44 83.000 H39_C31_N_O12 CCC-CC--C-C---CCCO----O---------C-CCC-- 135 35776 0 0 S/SJ4.sdf 0.238 0.857 0.801 15 39 81.000 H50_C30_O9 -CCC----CCC--CCCCO--O--COC------------- 136 9466 0 0 7/7TV.sdf 0.233 0.850 0.747 14 35 67.000 H33_C29_N_O5 CCCCCC-------CCC----------------CCC--CC 137 15981 0 0 C/CW1.sdf 0.232 0.735 0.764 16 46 82.000 H52_C34_O12 --CCCC---CC---CCC------COC----OOC-C---- 138 4271 0 0 3/3K5.sdf 0.231 0.684 0.753 18 57 84.000 H52_C40_O17 CCCCCC---C-CCC-------CO----------CCCCCC 139 19006 0 0 F/FC7.sdf 0.231 0.860 0.811 15 41 84.000 H50_C32_O9 -CCC----CCC--CCCCO--O--COC------------- 140 37049 0 0 U/U02.sdf 0.231 0.739 0.754 15 41 66.000 H38_C33_N2_O6 C--C-CC--C-C-C--C---O------------CCCCCC 141 35188 0 0 S/SOD.sdf 0.230 0.829 0.752 14 36 80.000 H39_C29_O6_CL CCC-CC----CC--CCC----CO---------C-C---- 142 1140 0 0 0/0I0.sdf 0.229 0.720 0.753 16 47 96.000 H31_C37_N3_O7 CC-CC-CCCC-C-C---OC-OCO--C------------- 143 15486 0 0 C/CHR.sdf 0.225 0.812 0.759 16 48 103.000 H33_C35_N_O12 C-C-CC-CCC-----CC---O--C-C------CCC---C 144 2275 0 0 1/1YK.sdf 0.222 0.878 0.795 14 38 68.000 H34_C29_O9 -CCC---CC--C-CCCC---O-----------C-CC--- 145 9388 0 0 7/7OX.sdf 0.221 0.591 0.756 19 66 147.000 H40_C46_N_O18_CL -CCCC-CCCCCCCC------O---OCCO-CO-------- 146 35119 0 0 S/SM8.sdf 0.221 0.591 0.756 19 66 147.000 H42_C46_N_O18_CL -CCCC-CCCCCCCC------O---OCCO-CO-------- 147 12925 0 0 A/AKA.sdf 0.192 0.691 0.763 15 54 93.000 H51_C40_N_O13 CCC-CC------CC--CO-CO-----------C-CCC-- 148 27361 0 0 M/M7S.sdf 0.191 0.800 0.755 13 42 48.000 H43_C37_N_O4 -CC---------CCC------CO----------CCCCCC 149 27360 0 0 M/M7R.sdf 0.191 0.800 0.755 13 42 48.000 H43_C37_N_O4 -CC---------CCC------CO----------CCCCCC 150 17063 0 0 D/DRA.sdf 0.190 0.679 0.755 15 55 93.000 H51_C40_N_O14 CCC-CC------CC--CO-CO-----------C-CCC-- [ATOM_MATCHING] 1 |1 30|2 28|3 27|4 26|5 32|6 31|7 25|8 24|9 6|10 5|11 7|12 2|13 3|14 4|15 8|16 9|17 10|18 29|19 33|23 1|24 34|25 20|26 21|27 22|34 11|35 13|36 12|38 19|39 14|40 15|41 16|42 17|43 18 2 |1 25|2 6|3 26|4 5|5 7|6 27|7 4|8 3|9 2|10 1|11 8|12 33|13 29|14 31|15 28|16 9|17 32|18 37|19 34|23 35|24 41|25 10|26 38|27 11|34 40|35 39|36 30|38 17|39 12|40 18|41 13|42 22|43 19 3 |1 19|2 7|3 20|4 8|5 15|6 14|7 21|8 9|9 22|10 23|11 3|12 2|13 1|14 16|15 4|16 5|17 17|18 24|19 18|23 6|25 10|26 28|27 11|28 26|29 12|30 27|31 29 4 |1 11|2 21|3 20|4 10|5 13|6 12|7 9|8 8|9 7|10 23|11 6|12 25|13 14|14 24|15 5|16 4|17 26|18 22|19 31|23 17|24 30|25 15|26 28|27 16|34 27|35 19|36 18 5 |1 3|2 2|3 4|4 5|5 7|6 8|7 6|8 15|9 14|10 10|11 16|12 20|13 21|14 12|15 17|16 18|17 23|18 1|19 9|23 22|24 13|25 24|26 25|27 26|38 32|39 31|42 34|43 33 6 |1 24|2 25|3 26|4 21|5 22|6 23|7 20|8 19|9 18|10 17|11 13|12 14|13 15|14 16|15 12|16 11|17 10|18 3|19 27|23 28|35 5|36 8|39 7|40 2|41 1 7 |1 16|2 15|3 20|4 21|5 8|6 17|7 22|8 23|9 5|10 6|11 2|12 1|13 10|14 11|15 9|16 7|17 4|18 14|19 18|23 19|35 3|36 25|39 26|40 27|41 28 8 |1 2|2 3|3 4|4 5|5 10|6 1|7 6|8 7|9 8|10 9|11 14|12 13|13 12|14 11|15 15|16 16|17 17|19 19|23 18|38 30|39 25|40 26|41 27|42 28|43 29 9 |1 22|2 29|3 18|4 19|5 24|6 23|7 20|8 21|9 26|10 25|11 27|12 13|13 12|14 11|15 28|16 15|17 14|18 32|19 10|23 6|35 17|36 8|39 2|40 3|41 4 10 |1 2|2 4|3 6|4 7|5 14|6 1|8 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25|27 22 18 |1 9|2 20|3 7|4 6|5 5|6 21|7 17|8 18|9 3|10 4|11 2|12 1|13 10|14 22|15 24|16 13|18 33|19 30|25 16|26 32|36 29|39 27 19 |1 25|2 26|3 28|4 31|5 22|6 24|7 32|8 33|9 9|10 21|11 7|12 18|13 19|14 20|15 6|16 5|18 27|19 23|25 2|26 3|36 11|39 12 20 |1 1|2 12|3 19|4 13|5 4|6 3|7 9|8 8|9 7|10 6|11 2|12 11|13 10|14 5|15 17|16 16|18 31|19 25|25 28|26 33|36 22|39 21 21 |1 23|2 21|3 18|4 17|5 16|6 24|7 25|8 26|9 27|10 15|11 10|12 11|13 13|14 14|15 9|16 8|18 22|19 29|25 31|26 33|36 6|39 5 22 |1 29|2 13|3 9|4 3|5 20|6 24|7 8|8 5|9 19|10 1|11 4|12 21|13 7|14 2|15 23|18 27|19 30|23 15|35 22|36 11|39 28 23 |1 2|2 3|3 4|4 5|5 10|6 1|7 6|8 7|9 8|10 9|11 14|12 13|13 12|14 11|16 17|17 18|18 31|19 19|24 32|27 30|29 29|31 34 24 |4 3|5 2|7 4|8 5|9 6|10 7|11 13|12 12|13 11|14 10|15 21|17 15|19 8|23 30|24 34|25 29|36 17|39 22|40 27|41 26|42 25|43 24 25 |1 2|2 3|3 4|4 5|5 10|6 1|7 6|8 7|9 8|10 9|11 14|12 13|13 12|14 11|15 15|16 16|17 17|18 21|23 18|25 19|26 22|27 20 26 |1 2|2 1|3 24|4 23|5 4|6 3|7 22|8 21|9 20|10 5|11 15|12 14|13 13|14 6|15 30|16 16|17 17|18 25|23 29|25 31|27 32|29 34 27 |4 4|7 23|8 24|9 5|10 3|11 6|12 20|13 2|14 21|17 19|27 15|29 10|30 11|32 12|33 13|36 26|38 29|39 7|40 27|41 8|42 28|43 9 28 |1 3|2 2|3 4|4 5|5 7|6 8|7 6|8 32|9 31|10 9|11 30|12 21|13 20|14 10|15 29|16 28|17 23|18 1|23 22|25 24|27 25 29 |1 41|2 19|3 39|4 38|5 20|6 42|7 37|8 18|9 35|10 22|11 34|12 25|13 24|14 23|15 17|16 16|17 15|18 40|19 21|23 43|25 12|27 9|29 10|31 27 30 |1 25|2 6|3 5|4 20|5 27|6 26|7 19|8 4|9 18|10 29|11 3|12 32|13 31|14 30|15 2|16 12|17 11|19 28|23 33|35 34|36 13|39 14|40 15|41 16 31 |1 19|2 18|3 21|4 24|5 25|6 20|7 27|8 16|9 15|10 12|13 10|14 11|15 8|16 7|18 17|19 26|23 30|36 4|38 3|39 13|43 2 32 |1 12|2 23|3 24|4 25|5 2|6 1|7 26|8 27|9 28|10 29|11 6|12 5|13 4|14 3|16 9|17 10|18 33|23 19|27 22|29 21|31 32 33 |2 39|3 33|4 29|5 28|7 30|8 32|9 26|10 27|12 8|13 7|15 2|16 25|17 19|27 20|29 22|31 3|38 14|39 17|40 16|41 15|42 12|43 13 34 |1 2|2 3|3 14|4 4|5 12|6 1|11 9|12 18|13 17|14 16|17 5|27 31|29 34|30 33|32 35|33 36|36 28|38 26|39 27|40 22|42 24|43 25 35 |1 29|2 28|3 7|4 6|5 31|6 30|7 5|8 4|9 33|10 32|11 9|12 10|13 45|14 46|15 13|16 12|17 11|19 8|23 3|25 14|27 15|29 17|31 34|33 18 36 |4 16|5 15|7 25|8 24|9 14|10 28|11 8|12 9|17 10|19 27|23 13|27 2|29 4|30 3|32 5|33 6|36 33|38 37|39 34|40 35|42 39|43 38 37 |1 31|2 19|3 4|4 1|5 12|6 17|7 3|8 14|9 10|10 13|11 11|12 2|13 30|14 5|15 16|16 18|19 29|24 34|36 7|39 32|40 20 38 |4 5|5 22|7 4|8 3|9 20|10 6|12 7|13 23|15 2|16 18|17 24|35 28|36 11|38 17|39 12|40 13|41 14|42 15|43 1 39 |1 33|2 2|3 3|4 6|5 30|6 32|7 7|8 8|9 9|10 29|13 27|14 28|15 13|16 14|18 1|19 31|23 12|36 24|39 21|40 20 40 |1 23|2 22|3 21|4 10|5 11|6 24|7 9|8 8|9 7|10 13|12 4|13 5|15 16|16 17|17 31|19 12|25 3|26 33|31 32|32 27|33 29 41 |1 29|2 27|3 26|4 22|5 21|6 30|7 23|8 24|9 25|10 20|11 16|15 17|16 11|18 28|26 13|38 9|39 4|40 5|41 6 42 |1 29|2 27|3 26|4 25|5 31|6 30|9 15|10 16|11 32|13 13|15 33|18 28|25 10|26 11|38 4|39 5|40 6|41 7|42 2|43 3 43 |1 28|2 26|3 23|4 22|5 30|6 29|7 21|8 20|9 18|10 17|13 14|14 16|15 8|16 7|18 27|19 31|23 10|36 13|39 2|40 4 44 |1 2|2 3|3 4|4 5|5 10|6 1|7 6|8 7|9 8|10 9|11 14|12 13|13 12|14 11|16 17|17 18|19 19|24 36|27 34|29 33|31 41 45 |1 17|2 1|3 18|4 10|5 9|6 16|7 11|8 12|9 13|10 14|12 22|13 3|14 23|18 19|19 15|26 28|27 29|36 6 46 |1 17|2 1|3 18|4 13|5 14|6 16|7 12|8 11|9 10|10 9|12 22|13 3|14 23|18 19|19 15|26 28|27 29|36 6 47 |1 23|4 19|5 18|6 22|7 20|8 21|9 16|10 17|11 14|15 15|16 11|18 27|35 12|38 1|39 2|40 3|41 4|42 5|43 6 48 |1 19|2 18|3 13|4 12|5 21|6 20|7 11|8 10|9 8|10 23|11 9|13 25|14 24|19 22|23 5|35 29|36 28|39 33|40 4 49 |4 7|5 6|7 8|8 9|9 10|10 11|11 15|12 14|13 13|14 12|15 16|16 17|18 40|19 42|23 32|36 21|38 30|39 25|40 26|42 28|43 29 50 |1 6|2 4|3 3|4 2|5 8|6 7|9 11|11 10|12 19|13 18|16 28|17 20|27 23|35 29|36 30|38 32|39 31|40 35|41 36|42 38|43 33 51 |1 24|5 26|6 25|7 21|8 20|9 19|10 27|11 30|15 17|16 9|25 6|26 7|27 5|29 2|31 3|33 38|38 16|39 11|40 12|41 13|42 14|43 15 52 |4 2|5 32|7 3|8 5|9 6|10 31|11 8|12 27|13 29|14 30|15 9|17 25|19 33|23 28|25 26|36 12|38 15|39 13|43 17 53 |4 30|5 32|7 29|8 28|9 26|10 25|11 20|12 21|13 23|14 24|15 19|17 2|19 33|23 22|25 1|36 16|38 12|39 15|43 11 54 |3 29|4 33|5 32|6 31|8 14|11 13|15 12|18 34|25 23|27 24|29 26|33 28|36 19|38 3|39 1|40 2|41 4|42 6|43 5 55 |2 19|3 21|4 22|6 10|7 24|8 25|10 8|12 5|13 6|14 7|17 32|18 20|23 4|25 33|26 34|38 39|39 38|40 43|41 42|42 41|43 40 56 |1 38|2 36|3 34|5 31|6 32|12 3|13 4|15 28|16 11|17 6|18 37|23 2|25 7|26 8|29 10|36 13|38 16|39 14|42 18|43 17 57 |5 26|7 29|8 23|9 15|10 18|11 13|12 11|13 19|14 22|15 17|16 16|19 31|23 21|25 24|36 20|38 34|39 28|40 33|41 36 58 |1 18|2 15|3 7|4 5|5 2|6 13|7 8|8 6|9 1|10 3|11 4|12 9|13 21|14 16|16 11|17 10|19 19|24 38|27 29|29 30|31 41 59 |1 31|2 29|3 27|4 25|5 33|6 32|7 23|8 21|9 19|10 35|11 1|12 38|13 37|14 36|15 16|16 3|17 40|19 34|23 39|35 10|36 6|39 12|40 5|41 9 60 |2 1|3 9|4 38|5 17|7 37|8 15|9 40|10 41|11 13|13 10|14 2|16 19|17 21|27 27|28 47|29 45|39 29|40 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4|24 41|38 25|39 20|40 21|41 22|42 23|43 24 90 |1 29|2 30|3 31|4 32|5 33|6 28|11 22|15 21|16 11|19 34|27 13|29 15|30 16|38 6|39 8|40 7|41 3|42 4|43 5 91 |8 5|9 6|12 8|14 2|16 23|17 22|24 1|27 10|28 11|29 12|36 26|38 33|39 32|40 31|41 36|42 35|43 34 92 |4 25|5 24|7 26|8 27|9 23|10 22|11 17|12 15|14 21|15 19|16 20|24 12|30 34|31 16|33 35|36 3|39 13 93 |1 44|2 35|3 34|4 36|5 41|6 43|7 37|8 9|9 11|10 40|11 12|13 13|14 39|19 42|23 1|35 30|36 14|39 31|40 28 94 |2 36|3 35|4 34|7 38|9 30|10 29|14 27|15 23|16 22|24 28|30 19|31 18|33 20|38 7|39 9|40 2|41 3|42 4|43 6 95 |1 13|2 12|3 11|4 10|5 8|6 14|9 5|10 1|11 6|12 4|13 3|14 2|18 20|26 31|36 22|38 26|39 27|43 25 96 |4 10|5 4|7 13|8 15|9 16|10 3|12 18|13 29|14 2|19 5|24 1|30 26|38 37|39 32|40 33|41 34|43 36 97 |4 7|5 9|7 5|8 3|9 1|12 26|13 33|16 32|19 11|23 16|36 37|38 20|39 29|40 28|41 19|42 17|43 18 98 |9 2|10 3|11 29|12 6|13 5|14 4|15 27|16 28|19 7|33 16|36 25|38 22|39 17|40 18|41 19|42 20|43 21 99 |7 23|8 25|9 26|11 27|12 29|13 31|15 17|16 37|23 30|25 33|27 35|34 36|35 38|38 46|39 41|40 42|41 43|42 44|43 45 100 |1 8|2 9|3 4|4 5|5 6|6 7|9 11|10 12|11 16|18 19|19 17|36 27|38 36|39 28|40 29|41 33|42 34|43 35 101 |1 18|2 19|3 17|4 20|6 21|9 11|10 14|13 15|14 10|18 40|19 27|36 13|38 4|39 9|40 8|41 3|42 1|43 2 102 |2 15|4 16|5 29|7 1|8 17|9 18|10 28|11 2|12 3|13 27|19 30|36 26|38 23|39 24|40 25|41 21|42 6|43 20 103 |1 18|3 15|5 12|6 17|8 2|9 1|10 13|11 23|15 34|19 11|25 10|36 36|38 42|39 37|40 38|41 39|42 40|43 41 104 |1 37|2 36|3 35|4 32|5 33|6 38|8 29|13 26|14 31|16 24|27 2|28 3|29 4|36 8|38 10|42 17|43 19 105 |1 1|4 25|5 26|7 24|8 23|9 21|10 8|11 20|12 11|13 10|14 9|15 19|16 18|19 27|26 17|27 15 106 |9 20|10 21|11 18|12 2|13 5|14 9|15 16|16 1|24 33|29 22|30 23|31 34|33 24|36 4|38 7|43 19 107 |1 1|2 2|3 3|4 5|6 7|8 34|11 26|12 15|14 17|15 27|18 36|24 18|25 13|27 12|29 9|31 10 108 |13 16|15 12|17 14|26 21|27 22|30 24|32 25|33 26|34 10|36 9|38 5|39 8|40 7|41 6|42 3|43 4 109 |1 31|2 33|3 35|6 30|9 12|10 13|11 22|14 15|15 23|16 24|17 9|18 34|36 6|39 4|40 3|41 2 110 |2 14|3 12|4 10|5 8|7 24|8 25|9 26|10 6|11 27|12 28|13 2|14 4|24 3|28 36|29 41|30 43|31 42|33 45|34 30 111 |1 21|2 20|3 16|4 15|7 14|8 12|9 9|14 25|16 29|17 37|19 24|24 26|26 36|35 30|36 2|39 3 112 |1 12|2 20|4 9|5 13|6 14|7 18|8 19|9 10|10 17|16 37|23 15|36 36|38 40|40 38|41 39|42 42|43 41 113 |1 16|2 15|3 12|4 11|7 10|8 8|9 5|14 20|16 24|17 33|19 19|24 21|35 25|36 26|39 29 114 |1 16|2 28|3 12|4 8|5 5|6 13|7 4|8 1|19 14|23 19|38 7|39 26|40 11|41 15|42 30|43 10 115 |1 25|2 26|3 27|4 21|5 20|6 24|7 22|8 23|19 28|23 14|38 6|39 1|40 7|41 10|42 9|43 5 116 |1 25|2 26|3 27|4 21|5 20|6 24|7 22|8 23|19 28|23 14|38 6|39 1|40 7|41 10|42 9|43 5 117 |1 38|2 39|3 40|4 36|7 35|8 33|9 26|14 22|16 19|19 25|24 23|26 18|35 9|36 8|38 4|42 1|43 3 118 |1 9|2 10|3 12|4 13|5 14|6 8|7 15|8 16|9 17|10 19|16 22|38 44|39 31|40 32|41 33|42 34|43 43 119 |1 6|2 7|3 8|4 9|7 10|8 11|9 15|14 17|16 20|19 3|24 18|26 36|35 25|36 24|38 32|42 1|43 35 120 |1 11|2 9|4 17|5 18|7 23|8 22|9 21|10 20|11 28|12 27|13 25|18 10|19 19|25 31|26 32|30 40|33 41 121 |1 25|2 26|3 27|4 16|7 17|8 18|9 19|14 21|16 1|17 3|19 29|24 30|35 10|36 9|39 7 122 |1 14|2 10|3 11|4 12|7 19|8 1|9 18|14 16|16 7|17 25|19 6|24 29|35 31|36 9|39 26 123 |4 8|5 7|7 12|8 13|9 14|10 6|11 15|18 11|26 19|29 35|30 37|31 36|33 38|36 25|39 24|40 23 124 |8 15|9 14|11 13|23 11|26 4|28 2|29 1|30 38|33 56|34 9|38 24|39 23|40 28|41 27|42 26|43 25 125 |2 12|3 11|4 16|5 17|7 45|8 44|9 43|10 19|11 41|13 22|14 20|16 39|17 26|24 21|35 38|36 37|39 36|40 32 126 |2 44|3 43|4 39|8 37|9 36|13 34|14 35|15 32|16 33|17 26|25 12|26 11|29 14|30 15|32 17|33 18|36 28 127 |2 18|3 19|4 32|5 33|10 28|12 2|13 3|14 29|15 15|16 16|17 1|23 8|24 34|27 36|40 13|41 12 128 |1 34|4 30|5 29|6 35|7 31|8 25|9 24|10 28|13 36|15 27|16 22|25 21|27 7|28 44|29 20|30 6|31 45 129 |2 26|4 29|5 30|7 34|8 33|9 32|10 31|11 35|12 36|15 40|16 39|38 47|39 42|40 43|41 44|42 45|43 46 130 |1 7|4 21|5 9|6 8|7 20|9 22|10 11|16 33|17 23|19 10|24 47|27 25|28 43|29 26|30 29|33 30|34 42 131 |7 2|8 4|9 5|11 6|12 23|17 22|23 24|30 16|32 18|33 19|36 29|39 30|40 31|42 36|43 35 132 |1 51|2 56|3 57|5 45|6 55|12 21|13 20|15 25|16 26|17 27|23 23|25 46|26 47|29 49|36 29|38 35|39 33|42 37|43 36 133 |1 13|2 14|3 15|4 16|5 12|7 17|8 18|9 10|10 11|15 7|16 6|17 5|28 32|29 1|38 42|39 43|43 41 134 |1 32|2 33|3 35|5 30|6 31|9 10|11 28|15 8|16 25|17 26|18 34|26 17|36 24|39 4|40 3|41 2 135 |2 24|3 23|4 22|9 5|10 21|11 6|14 20|15 10|16 11|17 12|18 36|24 33|27 16|28 32|29 17 136 |1 23|2 21|3 19|4 17|5 2|6 1|14 7|15 8|16 30|36 32|38 12|39 11|42 13|43 33 137 |3 30|4 31|5 24|6 25|10 23|11 21|15 19|16 18|17 9|27 12|28 13|29 14|34 15|35 17|36 16|39 6 138 |1 36|2 35|3 38|4 39|5 40|6 37|10 41|12 48|13 47|14 45|25 49|26 5|38 57|39 52|40 53|41 54|42 55|43 56 139 |2 5|3 3|4 1|9 37|10 38|11 26|14 14|15 25|16 24|17 17|18 6|24 13|27 21|28 22|29 23 140 |1 23|4 18|6 21|7 19|10 24|12 29|14 25|17 28|24 26|38 41|39 36|40 37|41 38|42 39|43 40 141 |1 27|2 28|3 29|5 25|6 26|11 6|12 2|15 12|16 4|17 1|25 5|26 15|36 9|39 18 142 |1 11|2 10|4 14|5 2|7 15|8 16|9 1|10 17|12 3|14 18|18 43|19 4|24 44|25 6|26 46|29 21 143 |1 40|3 33|5 36|6 37|8 30|9 29|10 35|16 11|17 13|24 28|27 9|29 7|36 16|38 21|39 18|43 23 144 |2 20|3 21|4 16|8 11|9 10|12 8|14 14|15 3|16 2|17 7|24 15|36 30|39 32|40 33 145 |2 8|3 9|4 11|5 12|7 17|8 19|9 21|10 24|11 22|12 23|13 27|14 25|24 26|28 39|29 40|30 42|31 41|33 43|34 29 146 |2 59|3 57|4 53|5 16|7 55|8 47|9 46|10 51|11 45|12 44|13 43|14 49|24 50|28 31|29 29|30 28|31 30|33 27|34 40 147 |1 3|2 2|3 5|5 8|6 4|13 10|14 14|17 17|18 1|23 12|24 15|36 19|39 23|40 27|41 28 148 |2 21|3 37|13 10|14 11|15 14|25 1|26 4|38 36|39 7|40 32|41 33|42 34|43 35 149 |2 21|3 37|13 10|14 11|15 14|25 1|26 4|38 36|39 7|40 32|41 33|42 34|43 35 150 |1 53|2 54|3 50|5 48|6 52|13 46|14 41|17 39|18 55|23 45|24 42|36 37|39 30|40 29|41 28 [SUPERPOSITION] #[rank(1)] [Natompair(2)] [RMSD(3)] #[rot_axisX(4)] [rot_axisY(5)] [rot_axisZ(6)] [rot_ang(7)] #[trans_vecX(8)] [trans_vecY(9)] 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