#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/D11472_1.sdf -osc ./DKCOMBU_PDBLIG_20240403/D11472_1 #DATE_START Apr 9,2024 6:54:2 #DATE_END Apr 9,2024 6:54:13 #COMP_TIME_PROGRESS 0.204275 seconds #COMP_TIME 11.298665 seconds #QUERY_FILENAME ./SDF_2D/D11472_1.sdf #QUERY_NAME D11472_1 #QUERY_FILETYPE S #QUERY_MOLFORMULA C12_N5_O7_P #QUERY_NATOM 25 #QUERY_NHEAVYATOM 25 #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 36506 #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]:CNCCCNOCCCCCCONNOCNCOPOOO # [ring_for_query]:aabaaabbaaabb a # [atom_number_for_query]: 1111111111222222 # :1234567890123456789012345 #[rk][num][name] [sMCS][sONE][sPAIR][Npair][Nhvyatm][seldis][molform] :------------------------- 1 18876 0 0 F/F86.sdf 1.000 1.000 1.000 25 25 0.000 H14_C12_N5_O7_P CNCCCNOCCCCCCONNOCNCOPOOO 2 37572 0 0 U/U08.sdf 0.769 0.840 0.809 20 21 7.000 H13_C12_N5_O4 CNCCCNOCCCCCCONNOCNC----- 3 9045 0 0 7/7DA.sdf 0.741 0.880 0.797 20 22 35.000 H15_C11_N4_O6_P --CCCNOCCCCCC-NNO--COPOOO 4 1141 0 0 0/0TL.sdf 0.724 0.852 0.806 21 25 10.000 H16_C11_N5_O8_P --CCCNOC-CCCCONNOC-COPOOO 5 304 0 0 0/0A.sdf 0.714 0.846 0.806 20 23 25.000 H14_C10_N5_O7_P --CCCNOC-CCCCONNO--COPOOO 6 10702 0 0 8/8XA.sdf 0.714 0.846 0.806 20 23 25.000 H14_C10_N5_O7_P --CCCNOC-CCCCONNO--COPOOO 7 12271 0 0 A/A.sdf 0.714 0.846 0.806 20 23 25.000 H14_C10_N5_O7_P --CCCNOC-CCCCONNO--COPOOO 8 12450 0 0 A/A5O.sdf 0.714 0.846 0.806 20 23 25.000 H14_C10_N5_O7_P --CCCNOC-CCCCONNO--COPOOO 9 13102 0 0 A/AP7.sdf 0.714 0.846 0.806 20 23 25.000 H15_C10_N5_O7_P --CCCNOC-CCCCONNO--COPOOO 10 13011 0 0 A/AMP.sdf 0.714 0.846 0.806 20 23 25.000 H14_C10_N5_O7_P --CCCNOC-CCCCONNO--COPOOO 11 19337 0 0 F/FMP.sdf 0.714 0.846 0.860 20 23 20.000 H14_C10_N5_O7_P C-C-CNOC-CCCCONNO--COPOOO 12 29512 0 0 N/NWX.sdf 0.706 0.758 0.794 24 33 9.000 H16_C12_N5_O13_P3 CNCCCNOCCCCCCONNOCNCOP-OO 13 1879 0 0 1/1MA.sdf 0.690 0.885 0.807 20 24 36.000 H16_C11_N5_O7_P --CCCNOC-CCCCONNO--COPOOO 14 3125 0 0 2/2MA.sdf 0.690 0.885 0.805 20 24 34.000 H16_C11_N5_O7_P --CCCNOC-CCCCONNO--COPOOO 15 10103 0 0 8/8BR.sdf 0.690 0.815 0.776 20 24 29.000 H13_C10_N5_O7_P_BR --CCCNOC-CCCCONNO--COPOOO 16 10440 0 0 8/8OP.sdf 0.690 0.815 0.783 20 24 29.000 H14_C10_N5_O8_P --CCCNOC-CCCCONNO--COPOOO 17 22578 0 0 I/IG.sdf 0.690 0.815 0.796 20 24 34.000 H14_C10_N5_O8_P --CCCNOC-CCCCONNO--COPOOO 18 27349 0 0 M/M7A.sdf 0.690 0.885 0.805 20 24 26.000 H18_C11_N5_O7_P --CCCNOC-CCCCONNO--COPOOO 19 27435 0 0 M/MAD.sdf 0.690 0.885 0.807 20 24 36.000 H16_C11_N5_O7_P --CCCNOC-CCCCONNO--COPOOO 20 28551 0 0 N/N6G.sdf 0.690 0.885 0.805 20 24 34.000 H15_C10_N6_O7_P --CCCNOC-CCCCONNO--COPOOO 21 393 0 0 0/0DA.sdf 0.679 0.808 0.769 19 22 35.000 H14_C10_N5_O6_P --CCCNOC-CCCC-NNO--COPOOO 22 4056 0 0 3/3DA.sdf 0.679 0.808 0.766 19 22 37.000 H14_C10_N5_O6_P --CCCNOC-CCCCONN---COPOOO 23 5338 0 0 4/4EN.sdf 0.679 0.808 0.760 19 22 47.000 H14_C10_N5_O6_P --C-CNOCCCCCC-NNO--COPOOO 24 13614 0 0 A/A1H3G.sdf 0.679 0.808 0.769 19 22 35.000 H15_C10_N5_O6_P --CCCNOC-CCCC-NNO--COPOOO 25 12375 0 0 A/A3A.sdf 0.679 0.808 0.769 19 22 35.000 H14_C10_N5_O6_P --CCCNOC-CCCC-NNO--COPOOO 26 16336 0 0 D/D5M.sdf 0.679 0.808 0.769 19 22 35.000 H14_C10_N5_O6_P --CCCNOC-CCCC-NNO--COPOOO 27 16475 0 0 D/DA.sdf 0.679 0.808 0.769 19 22 35.000 H14_C10_N5_O6_P --CCCNOC-CCCC-NNO--COPOOO 28 29882 0 0 O/OAH.sdf 0.679 0.808 0.769 19 22 35.000 H14_C10_N5_O6_P --CCCNOC-CCCC-NNO--COPOOO 29 31021 0 0 P/P5P.sdf 0.679 0.808 0.768 19 22 34.000 H13_C10_N4_O7_P --CCCNOC-CCCCON-O--COPOOO 30 31711 0 0 P/PR5.sdf 0.679 0.808 0.768 19 22 34.000 H13_C10_N4_O7_P --CCCNOC-CCCCON-O--COPOOO 31 10834 0 0 8/8AH.sdf 0.667 0.852 0.788 20 25 38.000 H18_C12_N5_O7_P --CCCNOC-CCCCONNO--COPOOO 32 12507 0 0 A/A7E.sdf 0.667 0.852 0.840 20 25 34.000 H14_C12_N5_O7_P --C-CNOCCCCCCONNO--COPOOO 33 40573 0 0 X/XCS.sdf 0.667 0.852 0.803 20 25 48.000 H18_C14_N3_O7_P C-C-CNOCCCCCC-NNO--COPOOO 34 873 0 0 0/0UH.sdf 0.655 0.846 0.777 19 23 44.000 H14_C10_N5_O7_P --CCCNOC-CCCC-NNO--COPOOO 35 1526 0 0 1/1AP.sdf 0.655 0.846 0.770 19 23 44.000 H15_C10_N6_O6_P --CCCNOC-CCCC-NNO--COPOOO 36 1631 0 0 1/1DP.sdf 0.655 0.920 0.796 19 23 29.000 H15_C11_N4_O7_P --CCCNOC-CCCCO-NO--COPOOO 37 5026 0 0 4/45A.sdf 0.655 0.846 0.770 19 23 27.000 H16_C11_N5_O6_P --CCCNOC-CCCCONNO--COP-OO 38 9159 0 0 7/7GU.sdf 0.655 0.920 0.800 19 23 46.000 H15_C11_N4_O7_P --CCCNOCCCCCC-N-O--COPOOO 39 10074 0 0 8/8AN.sdf 0.655 0.846 0.757 19 23 27.000 H15_C10_N6_O6_P --CCCNOC-CCCCONN---COPOOO 40 12373 0 0 A/A38.sdf 0.655 0.846 0.767 19 23 39.000 H14_C10_N5_O7_P --CCCNOC-CCCC-NNO--COPOOO 41 12640 0 0 A/ABM.sdf 0.655 0.846 0.770 19 23 27.000 H16_C11_N5_O6_P --CCCNOC-CCCCONNO--COP-OO 42 13018 0 0 A/AMW.sdf 0.655 0.778 0.744 19 23 33.000 H14_C10_N5_O7_CS --CCCNOC-CCCCONNO--CO-OOO 43 15522 0 0 C/CJ1.sdf 0.655 0.846 0.751 19 23 46.000 H14_C11_N3_O8_P --CCCNOCCCCCC-N-O--COPOOO 44 15763 0 0 C/CPR.sdf 0.655 0.778 0.744 19 23 27.000 H13_C10_N4_O7_P_CL --CCCNOC-CCCCON-O--COPOOO 45 22338 0 0 I/I.sdf 0.655 0.778 0.757 19 23 27.000 H13_C10_N4_O8_P --CCCNOC-CCCCON-O--COPOOO 46 22587 0 0 I/IGU.sdf 0.655 0.846 0.777 19 23 44.000 H14_C10_N5_O7_P --CCCNOC-CCCC-NNO--COPOOO 47 22685 0 0 I/IMP.sdf 0.655 0.778 0.757 19 23 27.000 H13_C10_N4_O8_P --CCCNOC-CCCCON-O--COPOOO 48 27429 0 0 M/MA7.sdf 0.655 0.846 0.772 19 23 46.000 H17_C11_N5_O6_P --CCCNOC-CCCC-NNO--COPOOO 49 28073 0 0 M/MTU.sdf 0.655 0.846 0.803 19 23 37.000 H14_C10_N5_O7_P --CCCNOC-CCCCON-O--COPOOO 50 28747 0 0 N/ND7.sdf 0.655 0.846 0.773 19 23 27.000 H15_C10_N6_O6_P --CCCNOC-CCCCONNO--COP-OO 51 35266 0 0 S/SRA.sdf 0.655 0.778 0.757 19 23 27.000 H14_C10_N5_O6_P_S --CCCNOC-CCCCONNO--COP-OO 52 40922 0 0 X/XNY.sdf 0.655 0.920 0.850 19 23 25.000 H15_C11_N4_O7_P --CCC-OC-CCCCONNO--COPOOO 53 31677 0 0 P/PQ1.sdf 0.645 0.962 0.828 20 26 46.000 H18_C12_N5_O8_P --CCCNOCCCCCCON-O--COPOOO 54 460 0 0 0/0G.sdf 0.633 0.815 0.793 19 24 36.000 H14_C10_N5_O8_P --CCCNOC-CCCCON-O--COPOOO 55 6115 0 0 5/50L.sdf 0.633 0.815 0.770 19 24 38.000 H15_C10_N5_O8_P --CC-NOCCCCCCON-O--COPOOO 56 6651 0 0 5/5GP.sdf 0.633 0.815 0.793 19 24 36.000 H14_C10_N5_O8_P --CCCNOC-CCCCON-O--COPOOO 57 8076 0 0 6/6MZ.sdf 0.633 0.815 0.747 19 24 30.000 H16_C11_N5_O7_P --CCCNOC-CCCCON-O--COPOOO 58 8656 0 0 7/71V.sdf 0.633 0.815 0.777 19 24 36.000 H14_C10_N5_O7_P_S --CCCNOC-CCCCON-O--COPOOO 59 9679 0 0 7/7S3.sdf 0.633 0.815 0.762 19 24 37.000 H15_C11_N4_O8_P --CCCNOC-CCCCON-O--COPOOO 60 10706 0 0 8/8XG.sdf 0.633 0.815 0.793 19 24 36.000 H14_C10_N5_O8_P --CCCNOC-CCCCON-O--COPOOO 61 12395 0 0 A/A40.sdf 0.633 0.815 0.747 19 24 47.000 H17_C11_N6_O6_P --CCCNOC-CCCC-NNO--COPOOO 62 12370 0 0 A/A35.sdf 0.633 0.815 0.747 19 24 47.000 H17_C11_N6_O6_P --CCCNOC-CCCC-NNO--COPOOO 63 12470 0 0 A/A6A.sdf 0.633 0.885 0.770 19 24 24.000 H16_C11_N5_O7_P ---CCNOC-CCCCONNO--COPOOO 64 15396 0 0 C/CF5.sdf 0.633 0.815 0.748 19 24 47.000 H17_C11_N4_O8_P --CCCNOC-CCCCON-O--COPOOO 65 15752 0 0 C/CPG.sdf 0.633 0.815 0.793 19 24 36.000 H14_C10_N5_O8_P --CCCNOC-CCCCON-O--COPOOO 66 19908 0 0 G/G25.sdf 0.633 0.815 0.793 19 24 36.000 H14_C10_N5_O8_P --CCCNOC-CCCCON-O--COPOOO 67 19852 0 0 G/G.sdf 0.633 0.815 0.793 19 24 36.000 H14_C10_N5_O8_P --CCCNOC-CCCCON-O--COPOOO 68 20154 0 0 G/GAO.sdf 0.633 0.815 0.793 19 24 36.000 H14_C10_N5_O8_P --CCCNOC-CCCCON-O--COPOOO 69 22690 0 0 I/IMU.sdf 0.633 0.815 0.774 19 24 38.000 H16_C11_N5_O7_P C-CCCN-C-CCCCON-O--COPOOO 70 26228 0 0 L/LCA.sdf 0.633 0.815 0.751 19 24 34.000 H14_C11_N5_O7_P --CCCNOC-CCCC-NNO--COPOOO 71 26344 0 0 L/LG.sdf 0.633 0.815 0.793 19 24 36.000 H14_C10_N5_O8_P --CCCNOC-CCCCON-O--COPOOO 72 40890 0 0 X/XM7.sdf 0.633 0.815 0.759 19 24 31.000 H16_C11_N5_O7_P --CCCNOC-CCCCONNO--COP-OO 73 9681 0 0 7/7SN.sdf 0.625 0.926 0.813 20 27 49.000 H17_C12_N6_O8_P --CCCNOCCCCCCON-O--COPOOO 74 36495 0 0 T/TR5.sdf 0.625 0.857 0.797 20 27 48.000 H17_C13_N6_O7_P --CCCNOCCCCCCON-O--COPOOO 75 2048 0 0 1/1RB.sdf 0.621 0.808 0.782 18 22 67.000 H15_C12_N2_O7_P -NCCC-OCCC-CCO--O--COPOOO 76 2751 0 0 2/2AR.sdf 0.621 0.808 0.749 18 22 34.000 H16_C11_N5_O5_P --CCCN-C-CCCC-NNO--COPOOO 77 3239 0 0 2/2PR.sdf 0.621 0.808 0.766 18 22 47.000 H14_C10_N5_O6_P --CCCNOC-CCCC-N-O--COPOOO 78 5312 0 0 4/4DU.sdf 0.621 0.880 0.817 18 22 35.000 H15_C11_N4_O6_P --CCC-OC-CCCC-NNO--COPOOO 79 1885 0 0 1/1MG.sdf 0.613 0.852 0.796 19 25 46.000 H16_C11_N5_O8_P --CCCNOC-CCCCON-O--COPOOO 80 3092 0 0 2/2LA.sdf 0.613 1.000 0.819 19 25 56.000 H18_C12_N5_O7_P --CCCNOCCCCCC-N-O--COPOOO 81 9324 0 0 7/7MG.sdf 0.613 0.852 0.797 19 25 37.000 H18_C11_N5_O8_P --CCCNOC-CCCCON-O--COPOOO 82 10226 0 0 8/8GM.sdf 0.613 0.786 0.764 19 25 40.000 H14_C10_N5_O9_P --CCCNOC-CCCCON-O--COPOOO 83 13935 0 0 B/B8W.sdf 0.613 0.852 0.787 19 25 39.000 H16_C11_N5_O8_P --CCCNOC-CCCCON-O--COPOOO 84 20061 0 0 G/G7M.sdf 0.613 0.852 0.797 19 25 37.000 H17_C11_N5_O8_P --CCCNOC-CCCCON-O--COPOOO 85 20632 0 0 G/GRB.sdf 0.613 0.786 0.764 19 25 40.000 H13_C10_N5_O8_P_BR --CCCNOC-CCCCON-O--COPOOO 86 20500 0 0 G/GMX.sdf 0.613 0.852 0.785 19 25 41.000 H16_C11_N5_O8_P --CCCNOC-CCCCON-O--COPOOO 87 29712 0 0 O/O2Z.sdf 0.613 0.852 0.781 19 25 39.000 H16_C10_N7_O7_P --CCCNOC-CCCCON-O--COPOOO 88 39742 0 0 W/WTA.sdf 0.613 0.786 0.743 19 25 32.000 H18_C12_N5_O7_P --CCCNOC-CCCCONNO--COP-OO 89 40778 0 0 X/XTY.sdf 0.613 0.786 0.746 19 25 50.000 H17_C14_N2_O8_P C-C-CNOCCCCCC-N-O--COPOOO 90 8959 0 0 7/7AT.sdf 0.606 0.767 0.760 20 28 36.000 H15_C12_N8_O7_P --C-CNOCCCCCCONNO--COPOOO 91 397 0 0 0/0DG.sdf 0.600 0.846 0.774 18 23 46.000 H14_C10_N5_O7_P --CCCNOC-CCCC-N-O--COPOOO 92 2201 0 0 1/1WA.sdf 0.600 0.846 0.748 18 23 48.000 H16_C10_N5_O7_P --CC-NOCCCCCC-N-O--COPOOO 93 10084 0 0 8/8AZ.sdf 0.600 0.714 0.760 18 23 22.000 H14_C9_N5_O8_P --C-CNOC-CCCCON-O--COPOOO 94 16559 0 0 D/DCG.sdf 0.600 0.846 0.774 18 23 46.000 H14_C10_N5_O7_P --CCCNOC-CCCC-N-O--COPOOO 95 16706 0 0 D/DGP.sdf 0.600 0.846 0.774 18 23 46.000 H14_C10_N5_O7_P --CCCNOC-CCCC-N-O--COPOOO 96 16684 0 0 D/DG.sdf 0.600 0.846 0.774 18 23 46.000 H14_C10_N5_O7_P --CCCNOC-CCCC-N-O--COPOOO 97 16664 0 0 D/DFG.sdf 0.600 0.846 0.774 18 23 46.000 H14_C10_N5_O7_P --CCCNOC-CCCC-N-O--COPOOO 98 16985 0 0 D/DP.sdf 0.600 0.846 0.748 18 23 48.000 H14_C10_N5_O7_P --CC-NOCCCCCC-N-O--COPOOO 99 17341 0 0 D/DZM.sdf 0.600 0.920 0.823 18 23 38.000 H17_C12_N4_O6_P --CCC-OC-CCCC-NNO--COPOOO 100 20248 0 0 G/GDO.sdf 0.600 0.846 0.770 18 23 48.000 H14_C10_N5_O7_P --CCCNOC-CCCCON----COPOOO 101 24986 0 0 K/KAK.sdf 0.600 0.846 0.770 18 23 48.000 H14_C10_N5_O7_P --CCCNOC-CCCCON----COPOOO 102 31355 0 0 P/PG7.sdf 0.600 0.846 0.774 18 23 46.000 H14_C10_N5_O7_P --CCCNOC-CCCC-N-O--COPOOO 103 31672 0 0 P/PPW.sdf 0.600 0.846 0.824 18 23 45.000 H14_C10_N5_O7_P --C-CNOCCCCCC-N-O--COPOOO 104 34709 0 0 S/S6G.sdf 0.600 0.778 0.741 18 23 46.000 H14_C10_N5_O6_P_S --CCCNOC-CCCC-N-O--COPOOO 105 34892 0 0 S/SDG.sdf 0.600 0.778 0.741 18 23 46.000 H14_C10_N5_O6_P_SE --CCCNOC-CCCC-N-O--COPOOO 106 40532 0 0 X/XAD.sdf 0.600 0.846 0.767 18 23 31.000 H16_C11_N5_O6_P ---CCNOC-CCCC-NNO--COPOOO 107 15212 0 0 C/CA0.sdf 0.594 0.889 0.747 19 26 33.000 H15_C11_N6_O8_P --CCCNOC-CCCCONNO--COP-OO 108 17602 0 0 E/E6G.sdf 0.594 0.821 0.773 19 26 40.000 H18_C12_N5_O8_P --CCCNOC-CCCCON-O--COPOOO 109 17632 0 0 E/E7G.sdf 0.594 0.821 0.787 19 26 39.000 H20_C12_N5_O8_P --CCCNOC-CCCCON-O--COPOOO 110 25128 0 0 K/KG4.sdf 0.594 0.821 0.741 19 26 33.000 H14_C11_N5_O9_P --CCCNOC-CCCCONNO--COP-OO 111 12323 0 0 A/A1P.sdf 0.586 0.769 0.743 17 21 59.000 H14_C10_N5_O5_P --CCCNOC-CCCC-N-O--COP-OO 112 8126 0 0 6/6OG.sdf 0.581 0.815 0.753 18 24 49.000 H16_C11_N5_O7_P --CCCNOC-CCCC-N-O--COPOOO 113 10433 0 0 8/8OG.sdf 0.581 0.815 0.752 18 24 50.000 H14_C10_N5_O8_P --CCCNOC-CCCC-N-O--COPOOO 114 10373 0 0 8/8MG.sdf 0.581 0.885 0.774 18 24 50.000 H16_C11_N5_O7_P --CCCNOC-CCCC-N-O--COPOOO 115 14197 0 0 B/BGM.sdf 0.581 0.815 0.745 18 24 50.000 H13_C10_N5_O7_P_BR --CCCNOC-CCCC-N-O--COPOOO 116 18555 0 0 E/EQ0.sdf 0.581 0.885 0.786 18 24 39.000 H15_C11_N4_O8_P --CCCNOC-CCCCO--O--COPOOO 117 18843 0 0 F/F74.sdf 0.581 0.815 0.745 18 24 50.000 H13_C10_N5_O7_P_CL --CCCNOC-CCCC-N-O--COPOOO 118 19965 0 0 G/G42.sdf 0.581 0.815 0.752 18 24 50.000 H14_C10_N5_O8_P --CCCNOC-CCCC-N-O--COPOOO 119 19935 0 0 G/G32.sdf 0.581 0.815 0.753 18 24 49.000 H16_C11_N5_O7_P --CCCNOC-CCCC-N-O--COPOOO 120 19969 0 0 G/G46.sdf 0.581 0.815 0.755 18 24 38.000 H14_C10_N5_O7_P_S --CCCNOC-CCCCON-O--COP-OO 121 19936 0 0 G/G33.sdf 0.581 0.885 0.774 18 24 50.000 H16_C11_N5_O7_P --CCCNOC-CCCC-N-O--COPOOO 122 20299 0 0 G/GFL.sdf 0.581 0.815 0.745 18 24 37.000 H13_C10_N5_O7_F_P --CCCNOC-CCCC-N-O--COPOOO 123 20286 0 0 G/GF2.sdf 0.581 0.815 0.745 18 24 37.000 H13_C10_N5_O7_F_P --CCCNOC-CCCC-N-O--COPOOO 124 27623 0 0 M/MG1.sdf 0.581 0.885 0.779 18 24 56.000 H16_C11_N5_O7_P --CCCNOC-CCCC-N-O--COPOOO 125 31563 0 0 P/PMO.sdf 0.581 0.815 0.765 18 24 63.000 H17_C13_N2_O8_P -NCCC-OCCC-CCO--O--COPOOO 126 33587 0 0 R/RBZ.sdf 0.581 0.815 0.769 18 24 63.000 H19_C14_N2_O7_P -NCCC-OCCC-CCO--O--COPOOO 127 33748 0 0 R/RIC.sdf 0.581 0.815 0.769 18 24 63.000 H19_C14_N2_O7_P -NCCC-OCCC-CCO--O--COPOOO 128 38648 0 0 V/VC7.sdf 0.581 0.885 0.767 18 24 38.000 H16_C11_N5_O7_P --CCCNOC-CCCCON-O--COP-OO 129 13949 0 0 B/B9B.sdf 0.576 0.793 0.753 19 27 40.000 H20_C13_N5_O8_P --CCCNOC-CCCCON-O--COPOOO 130 13924 0 0 B/B8K.sdf 0.576 0.793 0.765 19 27 41.000 H18_C12_N5_O9_P --CCCNOC-CCCCON-O--COPOOO 131 31070 0 0 P/P7G.sdf 0.576 0.793 0.763 19 27 39.000 H22_C13_N5_O8_P --CCCNOC-CCCCON-O--COPOOO 132 12153 0 0 9/9SY.sdf 0.571 0.774 0.750 20 30 41.000 H21_C17_N5_O7_P --CCCNOC-CCCCONNO--COPOOO 133 12472 0 0 A/A6C.sdf 0.567 0.808 0.747 17 22 60.000 H16_C10_N3_O8_P C-C-C-O-CC-CCO-NO--COPOOO 134 13930 0 0 B/B8Q.sdf 0.567 0.808 0.741 17 22 36.000 H18_C10_N3_O8_P --C-C-OCCC-CCO-NO--COPOOO 135 24033 0 0 J/JMH.sdf 0.567 0.808 0.741 17 22 36.000 H16_C10_N3_O8_P --C-C-OCCC-CCO-NO--COPOOO 136 27490 0 0 M/MBZ.sdf 0.567 0.808 0.752 17 22 69.000 H17_C13_N2_O6_P -NCCC-OCCC-CC---O--COPOOO 137 29028 0 0 N/NMN.sdf 0.567 0.808 0.749 17 22 42.000 H16_C11_N2_O8_P --CCC-OCC--CCO-NO--COPOOO 138 37971 0 0 U/UEL.sdf 0.567 0.741 0.742 17 22 32.000 H14_C9_N5_O7_P --C-CNOC-CCCC-N-O--COPOOO 139 12475 0 0 A/A6G.sdf 0.562 0.852 0.753 18 25 35.000 H16_C11_N5_O8_P ---CCNOC-CCCCON-O--COPOOO 140 15427 0 0 C/CG1.sdf 0.562 0.852 0.757 18 25 42.000 H16_C11_N5_O8_P --CCCNOC-CCCCON-O--COP-OO 141 19328 0 0 F/FMG.sdf 0.562 0.852 0.752 18 25 38.000 H16_C11_N5_O7_F_P --CCCNOC-CCCC-N-O--COPOOO 142 26234 0 0 L/LCG.sdf 0.562 0.852 0.749 18 25 45.000 H14_C11_N5_O8_P --CCCNOC-CCCC-N-O--COPOOO 143 30155 0 0 O/OMG.sdf 0.562 0.852 0.743 18 25 34.000 H16_C11_N5_O8_P --CCCNOC-CCCC-N-O--COPOOO 144 33819 0 0 R/RMB.sdf 0.548 0.846 0.784 17 23 35.000 H17_C13_N2_O7_P --CC-NOCCC-CCO--O--COPOOO 145 8059 0 0 6/6MI.sdf 0.545 0.889 0.781 18 26 51.000 H16_C12_N5_O8_P --CCCNOC-CCCC-N-O--COPOOO 146 17922 0 0 E/EHG.sdf 0.545 0.821 0.745 18 26 50.000 H18_C12_N5_O8_P --CCCNOC-CCCC-N-O--COPOOO 147 12152 0 0 9/9SI.sdf 0.541 0.781 0.745 20 32 41.000 H24_C18_N6_O7_P --CCCNOC-CCCCONNO--COPOOO 148 40574 0 0 X/XCT.sdf 0.533 0.840 0.742 16 21 69.000 H16_C10_N3_O7_P C-C-C--CCC-CC--NO--COPOOO 149 40625 0 0 X/XGU.sdf 0.531 0.885 0.770 17 24 42.000 H16_C11_N5_O7_P ---CCNOC-CCCC-N-O--COPOOO 150 11134 0 0 9/92F.sdf 0.500 0.962 0.747 17 26 58.000 H14_C13_N5_O7_P --CCCNOCCC-CC---O--COPOOO [ATOM_MATCHING] 1 |1 2|2 4|3 14|4 12|5 19|6 9|7 21|8 5|9 15|10 16|11 17|12 7|13 18|14 8|15 11|16 20|17 22|18 1|19 6|20 3|21 10|22 24|23 13|24 23|25 39 2 |1 2|2 4|3 13|4 12|5 18|6 9|7 20|8 5|9 14|10 15|11 16|12 7|13 17|14 8|15 11|16 19|17 21|18 1|19 6|20 3 3 |3 19|4 14|5 12|6 7|7 18|8 15|9 13|10 10|11 8|12 17|13 20|15 9|16 11|17 21|20 16|21 4|22 1|23 2|24 3|25 22 4 |3 7|4 5|5 4|6 16|7 19|8 11|10 1|11 2|12 12|13 10|14 24|15 15|16 14|17 23|18 8|20 13|21 20|22 25|23 6|24 21|25 22 5 |3 12|4 10|5 6|6 4|7 18|8 13|10 7|11 3|12 17|13 15|14 14|15 2|16 8|17 16|20 19|21 20|22 1|23 21|24 22|25 23 6 |3 8|4 18|5 16|6 11|7 7|8 19|10 14|11 12|12 6|13 21|14 20|15 13|16 15|17 22|20 5|21 4|22 1|23 2|24 3|25 23 7 |3 13|4 15|5 17|6 22|7 8|8 11|10 18|11 21|12 7|13 9|14 12|15 20|16 19|17 10|20 6|21 5|22 2|23 1|24 3|25 4 8 |3 12|4 10|5 6|6 4|7 18|8 13|10 7|11 3|12 17|13 15|14 14|15 2|16 8|17 16|20 19|21 20|22 1|23 21|24 22|25 23 9 |3 1|4 10|5 6|6 4|7 17|8 12|10 7|11 3|12 16|13 14|14 13|15 2|16 8|17 15|20 18|21 19|22 22|23 20|24 21|25 23 10 |3 13|4 15|5 17|6 22|7 8|8 11|10 18|11 21|12 7|13 9|14 12|15 20|16 19|17 10|20 6|21 5|22 1|23 2|24 3|25 4 11 |1 14|3 13|5 19|6 21|7 8|8 11|10 17|11 22|12 7|13 9|14 12|15 23|16 18|17 10|20 6|21 5|22 1|23 2|24 3|25 4 12 |1 11|2 10|3 13|4 12|5 5|6 9|7 17|8 14|9 4|10 6|11 8|12 16|13 15|14 30|15 7|16 33|17 29|18 31|19 32|20 18|21 19|22 1|24 20|25 21 13 |3 13|4 15|5 17|6 23|7 8|8 11|10 18|11 22|12 7|13 9|14 12|15 20|16 19|17 10|20 6|21 5|22 1|23 2|24 3|25 4 14 |3 13|4 15|5 17|6 23|7 8|8 11|10 18|11 21|12 7|13 9|14 12|15 20|16 19|17 10|20 6|21 5|22 1|23 2|24 3|25 4 15 |3 13|4 15|5 18|6 23|7 8|8 11|10 19|11 22|12 7|13 9|14 12|15 21|16 20|17 10|20 6|21 5|22 1|23 2|24 3|25 4 16 |3 13|4 15|5 18|6 23|7 8|8 11|10 19|11 22|12 7|13 9|14 12|15 21|16 20|17 10|20 6|21 5|22 1|23 2|24 3|25 4 17 |3 7|4 19|5 17|6 22|7 12|8 8|10 16|11 23|12 10|13 9|14 13|15 24|16 14|17 6|20 11|21 5|22 1|23 2|24 3|25 4 18 |3 1|4 10|5 7|6 13|7 19|8 3|10 9|11 2|12 6|13 4|14 17|15 12|16 14|17 18|20 8|21 20|22 23|23 21|24 22|25 40 19 |3 12|4 14|5 16|6 22|7 7|8 10|10 17|11 21|12 6|13 8|14 11|15 19|16 18|17 9|20 5|21 4|22 1|23 2|24 3|25 24 20 |3 8|4 19|5 17|6 11|7 7|8 20|10 15|11 12|12 6|13 22|14 21|15 14|16 16|17 23|20 5|21 4|22 1|23 2|24 3|25 24 21 |3 15|4 1|5 4|6 6|7 12|8 14|10 9|11 7|12 11|13 13|15 8|16 10|17 16|20 17|21 18|22 19|23 20|24 21|25 22 22 |3 8|4 18|5 16|6 11|7 7|8 19|10 14|11 12|12 6|13 21|14 20|15 13|16 15|20 5|21 4|22 1|23 2|24 3|25 22 23 |3 11|5 16|6 21|7 10|8 8|9 13|10 17|11 20|12 6|13 7|15 19|16 18|17 9|20 5|21 4|22 2|23 1|24 3|25 35 24 |3 16|4 6|5 4|6 2|7 17|8 20|10 3|11 12|12 18|13 19|15 1|16 15|17 11|20 21|21 10|22 7|23 8|24 9|25 22 25 |3 21|4 1|5 4|6 6|7 17|8 20|10 9|11 7|12 16|13 18|15 8|16 10|17 19|20 15|21 14|22 11|23 12|24 13|25 22 26 |3 8|4 10|5 12|6 17|7 4|8 7|10 13|11 16|12 3|13 5|15 15|16 14|17 6|20 2|21 1|22 19|23 20|24 21|25 22 27 |3 12|4 14|5 16|6 21|7 8|8 11|10 17|11 20|12 7|13 9|15 19|16 18|17 10|20 6|21 5|22 2|23 1|24 3|25 4 28 |3 12|4 10|5 6|6 4|7 20|8 14|10 7|11 3|12 19|13 16|15 2|16 8|17 17|20 21|21 22|22 1|23 13|24 15|25 18 29 |3 10|4 8|5 5|6 3|7 16|8 11|10 6|11 2|12 15|13 13|14 12|15 1|17 14|20 17|21 18|22 19|23 20|24 21|25 22 30 |3 8|4 15|5 17|6 21|7 7|8 11|10 18|11 20|12 6|13 9|14 12|15 19|17 10|20 5|21 4|22 1|23 2|24 3|25 22 31 |3 11|4 17|5 15|6 19|7 12|8 9|10 23|11 20|12 6|13 7|14 10|15 22|16 24|17 8|20 5|21 4|22 2|23 1|24 3|25 42 32 |3 8|5 14|6 19|7 7|8 21|9 11|10 15|11 18|12 6|13 23|14 22|15 17|16 16|17 24|20 5|21 4|22 1|23 2|24 3|25 38 33 |1 19|3 15|5 9|6 16|7 14|8 22|9 17|10 7|11 4|12 13|13 23|15 6|16 8|17 24|20 12|21 11|22 1|23 2|24 10|25 25 34 |3 11|4 13|5 17|6 21|7 7|8 10|10 15|11 19|12 6|13 8|15 18|16 16|17 9|20 5|21 4|22 1|23 2|24 3|25 36 35 |3 19|4 6|5 4|6 8|7 18|8 20|10 5|11 2|12 17|13 21|15 1|16 11|17 22|20 16|21 15|22 12|23 13|24 14|25 23 36 |3 9|4 19|5 17|6 12|7 8|8 20|10 15|11 13|12 7|13 22|14 21|16 16|17 23|20 6|21 5|22 2|23 1|24 3|25 4 37 |3 8|4 21|5 19|6 10|7 2|8 5|10 7|11 11|12 3|13 4|14 17|15 12|16 22|17 6|20 16|21 15|22 1|24 14|25 23 38 |3 20|4 15|5 13|6 7|7 19|8 16|9 14|10 11|11 8|12 18|13 21|15 10|17 22|20 17|21 4|22 1|23 2|24 3|25 23 39 |3 9|4 19|5 17|6 12|7 8|8 20|10 15|11 13|12 7|13 22|14 21|15 14|16 16|20 6|21 5|22 2|23 1|24 3|25 4 40 |3 12|4 14|5 16|6 21|7 8|8 11|10 17|11 20|12 7|13 9|15 19|16 18|17 10|20 6|21 5|22 2|23 1|24 3|25 4 41 |3 13|4 15|5 17|6 22|7 8|8 11|10 18|11 21|12 7|13 9|14 12|15 20|16 19|17 10|20 6|21 5|22 1|24 3|25 4 42 |3 13|4 15|5 17|6 22|7 8|8 11|10 18|11 21|12 7|13 9|14 12|15 20|16 19|17 10|20 6|21 5|23 2|24 3|25 4 43 |3 14|4 17|5 3|6 18|7 15|8 13|9 5|10 4|11 1|12 10|13 11|15 20|17 12|20 9|21 8|22 6|23 7|24 22|25 34 44 |3 13|4 15|5 17|6 22|7 8|8 11|10 18|11 21|12 7|13 9|14 12|15 20|17 10|20 6|21 5|22 1|23 2|24 3|25 4 45 |3 13|4 15|5 17|6 22|7 8|8 11|10 18|11 21|12 7|13 9|14 12|15 20|17 10|20 6|21 5|22 2|23 1|24 3|25 4 46 |3 12|4 14|5 18|6 22|7 8|8 11|10 16|11 20|12 7|13 9|15 19|16 17|17 10|20 6|21 5|22 1|23 2|24 3|25 4 47 |3 13|4 15|5 17|6 22|7 8|8 11|10 18|11 21|12 7|13 9|14 12|15 20|17 10|20 6|21 5|22 1|23 2|24 3|25 4 48 |3 20|4 5|5 3|6 11|7 19|8 16|10 4|11 1|12 18|13 21|15 12|16 13|17 22|20 17|21 9|22 6|23 7|24 8|25 23 49 |3 8|4 18|5 16|6 11|7 7|8 19|10 15|11 12|12 6|13 21|14 20|15 14|17 22|20 5|21 4|22 1|23 2|24 3|25 23 50 |3 12|4 18|5 16|6 19|7 13|8 10|10 22|11 20|12 7|13 8|14 11|15 21|16 23|17 9|20 6|21 5|22 2|24 1|25 3 51 |3 12|4 14|5 16|6 21|7 8|8 11|10 17|11 20|12 7|13 9|14 23|15 19|16 18|17 10|20 6|21 5|22 1|24 2|25 4 52 |3 6|4 4|5 2|7 18|8 7|10 12|11 1|12 10|13 8|14 16|15 13|16 14|17 17|20 11|21 19|22 22|23 20|24 21|25 37 53 |3 8|4 19|5 17|6 11|7 7|8 22|9 18|10 15|11 12|12 6|13 24|14 23|15 14|17 25|20 5|21 4|22 1|23 2|24 3|25 26 54 |3 13|4 15|5 19|6 23|7 8|8 11|10 17|11 21|12 7|13 9|14 12|15 20|17 10|20 6|21 5|22 2|23 1|24 3|25 4 55 |3 19|4 3|6 9|7 14|8 17|9 21|10 4|11 7|12 13|13 15|14 18|15 6|17 16|20 11|21 12|22 1|23 22|24 23|25 38 56 |3 13|4 15|5 17|6 23|7 8|8 11|10 18|11 21|12 7|13 9|14 12|15 20|17 10|20 6|21 5|22 1|23 2|24 3|25 4 57 |3 18|4 13|5 3|6 7|7 17|8 19|10 9|11 1|12 16|13 21|14 20|15 8|17 22|20 15|21 14|22 23|23 4|24 5|25 24 58 |3 16|4 3|5 19|6 21|7 11|8 14|10 23|11 22|12 10|13 12|14 15|15 1|17 13|20 9|21 8|22 5|23 4|24 6|25 7 59 |3 3|4 10|5 7|6 13|7 18|8 4|10 9|11 1|12 6|13 5|14 16|15 12|17 17|20 8|21 19|22 23|23 21|24 22|25 24 60 |3 8|4 19|5 17|6 11|7 7|8 20|10 15|11 12|12 6|13 22|14 21|15 14|17 23|20 5|21 4|22 1|23 2|24 3|25 24 61 |3 19|4 6|5 4|6 8|7 18|8 20|10 5|11 2|12 17|13 21|15 1|16 11|17 22|20 16|21 15|22 12|23 13|24 14|25 23 62 |3 19|4 6|5 4|6 8|7 18|8 20|10 5|11 2|12 17|13 21|15 1|16 11|17 22|20 16|21 15|22 12|23 13|24 14|25 23 63 |4 10|5 6|6 4|7 18|8 13|10 7|11 3|12 17|13 15|14 14|15 2|16 8|17 16|20 19|21 20|22 1|23 22|24 23|25 24 64 |3 11|4 15|5 21|6 17|7 10|8 12|10 20|11 18|12 7|13 8|14 13|15 19|17 9|20 6|21 5|22 2|23 1|24 3|25 4 65 |3 13|4 15|5 17|6 23|7 8|8 11|10 18|11 21|12 7|13 9|14 12|15 20|17 10|20 6|21 5|22 1|23 2|24 3|25 4 66 |3 13|4 15|5 17|6 23|7 8|8 11|10 18|11 21|12 7|13 9|14 12|15 20|17 10|20 6|21 5|22 2|23 1|24 3|25 4 67 |3 13|4 15|5 17|6 23|7 8|8 11|10 18|11 21|12 7|13 9|14 12|15 20|17 10|20 6|21 5|22 2|23 1|24 3|25 4 68 |3 13|4 15|5 17|6 23|7 8|8 11|10 18|11 21|12 7|13 9|14 12|15 20|17 10|20 6|21 5|22 2|23 1|24 3|25 4 69 |1 15|3 14|4 16|5 18|6 23|8 12|10 19|11 2|12 8|13 10|14 13|15 21|17 11|20 7|21 6|22 1|23 3|24 4|25 5 70 |3 16|4 8|5 11|6 21|7 19|8 13|10 12|11 17|12 15|13 5|15 18|16 14|17 22|20 4|21 3|22 1|23 2|24 20|25 23 71 |3 13|4 15|5 19|6 23|7 8|8 11|10 17|11 21|12 7|13 9|14 12|15 20|17 10|20 6|21 5|22 2|23 1|24 3|25 4 72 |3 7|4 8|5 9|6 15|7 18|8 6|10 3|11 1|12 4|13 5|14 19|15 2|16 16|17 17|20 11|21 20|22 24|24 22|25 23 73 |3 10|4 6|5 8|6 1|7 21|8 11|9 4|10 5|11 7|12 13|13 12|14 19|15 9|17 20|20 14|21 22|22 26|23 24|24 25|25 43 74 |3 13|4 15|5 17|6 19|7 8|8 11|9 16|10 22|11 20|12 7|13 9|14 12|15 21|17 10|20 6|21 5|22 2|23 1|24 3|25 4 75 |2 1|3 22|4 9|5 5|7 17|8 20|9 4|10 6|12 16|13 18|14 21|17 19|20 15|21 14|22 10|23 11|24 12|25 13 76 |3 9|4 19|5 17|6 12|8 20|10 15|11 13|12 7|13 21|15 14|16 16|17 22|20 6|21 5|22 1|23 2|24 3|25 4 77 |3 12|4 14|5 16|6 21|7 8|8 11|10 17|11 19|12 7|13 9|15 18|17 10|20 6|21 5|22 2|23 1|24 3|25 4 78 |3 10|4 21|5 19|7 11|8 9|10 17|11 15|12 6|13 7|15 16|16 18|17 8|20 5|21 4|22 2|23 1|24 3|25 22 79 |3 13|4 15|5 17|6 24|7 8|8 11|10 18|11 22|12 7|13 9|14 12|15 20|17 10|20 6|21 5|22 1|23 2|24 3|25 4 80 |3 13|4 11|5 7|6 5|7 22|8 17|9 10|10 8|11 3|12 21|13 19|15 2|17 20|20 23|21 24|22 1|23 16|24 18|25 40 81 |3 13|4 15|5 17|6 23|7 8|8 11|10 18|11 21|12 7|13 9|14 12|15 20|17 10|20 6|21 5|22 1|23 2|24 3|25 4 82 |3 13|4 15|5 24|6 18|7 8|8 11|10 22|11 19|12 7|13 9|14 12|15 21|17 10|20 6|21 5|22 2|23 1|24 3|25 4 83 |3 10|4 9|5 3|6 6|7 20|8 11|10 4|11 1|12 13|13 12|14 18|15 8|17 19|20 14|21 21|22 24|23 22|24 23|25 40 84 |3 13|4 15|5 18|6 24|7 8|8 11|10 19|11 22|12 7|13 9|14 12|15 21|17 10|20 6|21 5|22 2|23 1|24 3|25 4 85 |3 14|4 12|5 8|6 6|7 20|8 15|10 9|11 4|12 19|13 17|14 16|15 3|17 18|20 21|21 22|22 1|23 23|24 24|25 25 86 |3 9|4 15|5 17|6 23|7 8|8 10|10 18|11 21|12 7|13 12|14 11|15 20|17 13|20 5|21 4|22 2|23 1|24 3|25 41 87 |3 11|4 13|5 15|6 20|7 7|8 10|10 16|11 19|12 6|13 8|14 22|15 18|17 9|20 5|21 4|22 1|23 2|24 3|25 40 88 |3 1|4 12|5 9|6 14|7 23|8 4|10 11|11 3|12 8|13 6|14 19|15 13|16 15|17 21|20 10|21 24|22 25|24 18|25 20 89 |1 21|3 9|5 16|6 18|7 6|8 8|9 19|10 14|11 11|12 5|13 7|15 13|17 24|20 4|21 10|22 1|23 2|24 3|25 25 90 |3 10|5 6|6 4|7 15|8 11|9 21|10 7|11 3|12 14|13 12|14 27|15 2|16 8|17 13|20 16|21 17|22 1|23 18|24 19|25 42 91 |3 12|4 14|5 16|6 22|7 8|8 11|10 17|11 20|12 7|13 9|15 19|17 10|20 6|21 5|22 2|23 1|24 3|25 4 92 |3 14|4 12|6 6|7 19|8 15|9 11|10 9|11 4|12 18|13 16|15 3|17 17|20 20|21 21|22 2|23 1|24 22|25 23 93 |3 8|5 12|6 17|7 7|8 19|10 13|11 16|12 6|13 21|14 20|15 15|17 22|20 5|21 4|22 1|23 2|24 3|25 36 94 |3 12|4 14|5 16|6 22|7 8|8 11|10 17|11 20|12 7|13 9|15 19|17 10|20 6|21 5|22 1|23 2|24 3|25 4 95 |3 12|4 14|5 16|6 22|7 8|8 11|10 17|11 20|12 7|13 9|15 19|17 10|20 6|21 5|22 1|23 2|24 3|25 4 96 |3 12|4 14|5 16|6 22|7 8|8 11|10 17|11 20|12 7|13 9|15 19|17 10|20 6|21 5|22 2|23 1|24 3|25 4 97 |3 12|4 14|5 16|6 22|7 8|8 11|10 17|11 20|12 7|13 9|15 19|17 10|20 6|21 5|22 2|23 1|24 3|25 4 98 |3 8|4 10|6 16|7 7|8 20|9 11|10 13|11 15|12 6|13 21|15 14|17 22|20 5|21 4|22 1|23 2|24 3|25 23 99 |3 12|4 10|5 6|7 20|8 14|10 7|11 3|12 19|13 16|15 2|16 8|17 17|20 21|21 22|22 1|23 13|24 15|25 23 100 |3 19|4 5|5 2|6 8|7 15|8 17|10 3|11 22|12 14|13 16|14 18|15 4|20 13|21 12|22 9|23 10|24 11|25 23 101 |3 17|4 6|5 4|6 2|7 13|8 15|10 5|11 21|12 12|13 14|14 16|15 1|20 11|21 10|22 7|23 8|24 9|25 23 102 |3 6|4 17|5 15|6 20|7 11|8 7|10 14|11 21|12 9|13 8|15 22|17 5|20 10|21 4|22 1|23 2|24 3|25 23 103 |3 20|5 13|6 7|7 19|8 16|9 15|10 11|11 8|12 18|13 21|15 10|17 22|20 17|21 4|22 1|23 2|24 3|25 23 104 |3 12|4 14|5 16|6 22|7 8|8 11|10 17|11 20|12 7|13 9|15 19|17 10|20 6|21 5|22 1|23 2|24 3|25 4 105 |3 21|4 16|5 14|6 9|7 20|8 17|10 12|11 2|12 19|13 22|15 11|17 23|20 18|21 6|22 3|23 1|24 4|25 5 106 |4 15|5 17|6 23|7 13|8 10|10 19|11 22|12 7|13 8|15 21|16 20|17 9|20 6|21 5|22 2|23 1|24 3|25 4 107 |3 13|4 9|5 5|6 3|7 24|8 16|10 6|11 2|12 23|13 20|14 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1|11 5|12 12|13 13|15 20|17 23|20 11|21 10|22 7|23 8|24 9|25 36 118 |3 12|4 14|5 16|6 22|7 8|8 11|10 17|11 20|12 7|13 9|15 19|17 10|20 6|21 5|22 2|23 1|24 3|25 4 119 |3 12|4 14|5 16|6 22|7 8|8 11|10 17|11 20|12 7|13 9|15 19|17 10|20 6|21 5|22 2|23 1|24 3|25 4 120 |3 12|4 15|5 17|6 23|7 8|8 11|10 18|11 21|12 7|13 9|14 13|15 20|17 10|20 6|21 5|22 1|24 2|25 4 121 |3 12|4 14|5 16|6 22|7 8|8 11|10 17|11 20|12 7|13 9|15 19|17 10|20 6|21 5|22 2|23 1|24 3|25 4 122 |3 12|4 14|5 16|6 22|7 8|8 11|10 17|11 20|12 7|13 9|15 19|17 10|20 6|21 5|22 2|23 1|24 3|25 4 123 |3 14|4 12|5 8|6 6|7 21|8 16|10 9|11 4|12 20|13 18|15 3|17 19|20 22|21 23|22 2|23 15|24 17|25 24 124 |3 12|4 14|5 16|6 23|7 8|8 11|10 17|11 21|12 7|13 9|15 19|17 10|20 6|21 5|22 2|23 1|24 3|25 4 125 |2 1|3 24|4 9|5 5|7 19|8 22|9 4|10 6|12 18|13 20|14 23|17 21|20 17|21 16|22 12|23 13|24 14|25 15 126 |2 1|3 24|4 9|5 5|7 19|8 22|9 4|10 6|12 18|13 20|14 23|17 21|20 17|21 16|22 12|23 13|24 14|25 15 127 |2 1|3 24|4 9|5 5|7 19|8 22|9 4|10 6|12 18|13 20|14 23|17 21|20 17|21 16|22 12|23 13|24 14|25 15 128 |3 1|4 10|5 7|6 14|7 19|8 3|10 9|11 2|12 6|13 4|14 17|15 12|17 18|20 8|21 20|22 23|24 22|25 39 129 |3 5|4 4|5 2|6 13|7 18|8 6|10 3|11 1|12 9|13 7|14 16|15 11|17 17|20 10|21 19|22 23|23 21|24 22|25 46 130 |3 9|4 3|5 6|6 8|7 18|8 10|10 5|11 2|12 12|13 11|14 16|15 4|17 17|20 13|21 19|22 23|23 21|24 22|25 44 131 |3 1|4 10|5 7|6 13|7 18|8 3|10 9|11 2|12 6|13 4|14 16|15 11|17 17|20 8|21 19|22 23|23 21|24 22|25 27 132 |3 4|4 16|5 12|6 19|7 27|8 7|10 14|11 6|12 11|13 9|14 24|15 18|16 20|17 26|20 13|21 28|22 29|23 23|24 25|25 50 133 |1 10|3 19|5 8|7 16|9 9|10 6|12 15|13 13|14 12|16 7|17 14|20 17|21 18|22 1|23 20|24 21|25 22 134 |3 4|5 3|7 17|8 5|9 10|10 7|12 8|13 6|14 15|16 13|17 16|20 9|21 18|22 21|23 19|24 20|25 39 135 |3 4|5 3|7 17|8 5|9 10|10 7|12 8|13 6|14 15|16 13|17 16|20 9|21 18|22 21|23 19|24 20|25 22 136 |2 16|3 7|4 20|5 15|7 12|8 8|9 19|10 14|12 10|13 9|17 6|20 11|21 5|22 1|23 2|24 3|25 4 137 |3 13|4 21|5 16|7 8|8 11|9 20|12 7|13 9|14 12|16 19|17 10|20 6|21 5|22 2|23 1|24 3|25 4 138 |3 5|5 2|6 11|7 16|8 6|10 3|11 4|12 8|13 7|15 10|17 15|20 9|21 17|22 21|23 19|24 20|25 22 139 |4 11|5 7|6 5|7 19|8 14|10 8|11 3|12 18|13 16|14 15|15 2|17 17|20 20|21 21|22 1|23 23|24 24|25 25 140 |3 13|4 15|5 17|6 23|7 8|8 11|10 18|11 21|12 7|13 9|14 12|15 20|17 10|20 6|21 5|22 2|24 3|25 4 141 |3 23|4 8|5 11|6 13|7 22|8 19|10 17|11 14|12 21|13 24|15 16|17 25|20 20|21 5|22 1|23 2|24 3|25 4 142 |3 16|4 8|5 11|6 22|7 19|8 13|10 12|11 17|12 15|13 5|15 18|17 24|20 4|21 3|22 1|23 2|24 20|25 25 143 |3 14|4 16|5 18|6 24|7 8|8 11|10 19|11 22|12 7|13 9|15 21|17 10|20 6|21 5|22 1|23 2|24 3|25 4 144 |3 23|4 4|6 1|7 18|8 21|9 9|10 7|12 17|13 19|14 22|17 20|20 16|21 15|22 11|23 12|24 13|25 14 145 |3 24|4 7|5 11|6 13|7 23|8 20|10 17|11 14|12 22|13 25|15 16|17 26|20 21|21 5|22 1|23 2|24 3|25 4 146 |3 11|4 13|5 15|6 21|7 10|8 9|10 17|11 19|12 6|13 7|15 18|17 8|20 5|21 4|22 2|23 1|24 3|25 43 147 |3 15|4 14|5 2|6 21|7 27|8 16|10 3|11 5|12 18|13 17|14 25|15 7|16 22|17 26|20 19|21 28|22 31|23 29|24 30|25 55 148 |1 13|3 12|5 18|8 11|9 17|10 19|12 7|13 9|16 21|17 10|20 6|21 5|22 2|23 1|24 3|25 4 149 |4 15|5 18|6 19|7 8|8 11|10 23|11 20|12 7|13 9|15 22|17 10|20 6|21 5|22 2|23 1|24 3|25 4 150 |3 10|4 12|5 18|6 15|7 7|8 9|9 17|10 22|12 6|13 8|17 25|20 5|21 4|22 1|23 2|24 3|25 39 [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)] [trans_vecZ(10)] 1 25 +0.85858 -0.000000 -0.000000 +1.000000 -0.051096 -0.00000 -0.00002 +0.00000 2 20 +0.52301 +0.000000 +0.000000 +1.000000 +0.227659 +1.19724 -0.17606 +0.00000 3 20 +1.68556 +0.000000 +0.000000 +1.000000 +0.052108 -0.05417 +0.25525 +0.00000 4 21 +2.67097 -0.000000 -0.000000 +1.000000 -0.168700 +0.10674 +0.02377 +0.00000 5 20 +1.70643 +0.999720 +0.023658 +0.000000 +3.141593 -0.04669 +0.28851 +0.00000 6 20 +2.07684 -0.013201 +0.999913 +0.000000 +3.141593 +0.03229 +0.33359 +0.00000 7 20 +0.70303 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