#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/D09537_1.sdf -osc ./DKCOMBU_PDBLIG_20240403/D09537_1 #DATE_START Apr 9,2024 6:53:13 #DATE_END Apr 9,2024 6:53:23 #COMP_TIME_PROGRESS 0.203504 seconds #COMP_TIME 9.913192 seconds #QUERY_FILENAME ./SDF_2D/D09537_1.sdf #QUERY_NAME D09537_1 #QUERY_FILETYPE S #QUERY_MOLFORMULA C10_N3_O9_F_P #QUERY_NATOM 24 #QUERY_NHEAVYATOM 24 #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 35174 #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]:CCNCCNFOCONCCCCOOOPOOOCO # [ring_for_query]:aaaaaa bbbbb # [atom_number_for_query]: 111111111122222 # :123456789012345678901234 #[rk][num][name] [sMCS][sONE][sPAIR][Npair][Nhvyatm][seldis][molform] :------------------------ 1 2060 0 0 1/1RP.sdf 1.000 1.000 1.000 24 24 0.000 H13_C10_N3_O9_F_P CCNCCNFOCONCCCCOOOPOOOCO 2 25752 0 0 K/K1F.sdf 0.958 0.958 0.957 23 23 10.000 H14_C10_N3_O9_P CCNCCN-OCONCCCCOOOPOOOCO 3 28242 0 0 M/MZP.sdf 0.840 0.917 0.873 21 22 6.000 H12_C9_N3_O9_P --NCCN-OCONCCCCOOOPOOOCO 4 29028 0 0 N/NMN.sdf 0.840 0.840 0.840 21 22 24.000 H16_C11_N2_O8_P CC-CCN--CONCCCCOOOPOOOCO 5 12657 0 0 A/AC4.sdf 0.769 0.840 0.804 20 22 8.000 H15_C9_N4_O8_P --NCCN--CONCCCCOOOPOOOCO 6 13021 0 0 A/AMZ.sdf 0.769 0.840 0.804 20 22 8.000 H15_C9_N4_O8_P --NCCN--CONCCCCOOOPOOOCO 7 27543 0 0 M/MDJ.sdf 0.769 0.840 0.825 20 22 29.000 H17_C11_N2_O8_P CC-CCN-OCO-CCCCO-OPOOOCO 8 28729 0 0 N/NCN.sdf 0.769 0.840 0.796 20 22 26.000 H14_C11_N_O9_P CC-CCN--CO-CCCCOOOPOOOCO 9 31342 0 0 P/PFU.sdf 0.769 0.917 0.811 20 22 10.000 H14_C9_N3_O9_P --NCC--OCONCCCCOOOPOOOCO 10 4074 0 0 3/3DU.sdf 0.731 0.800 0.794 19 21 23.000 H14_C10_N_O9_P CC-CCN-O---CCCCOOOPOOOCO 11 27544 0 0 M/MDK.sdf 0.731 0.800 0.798 19 21 34.000 H17_C11_N2_O7_P CC-CCN-OC--CCCCO-OPOOOCO 12 34052 0 0 R/RVP.sdf 0.731 0.800 0.769 19 21 15.000 H13_C8_N4_O8_P --NC-N--CONCCCCOOOPOOOCO 13 18947 0 0 F/FAI.sdf 0.714 0.846 0.770 20 24 8.000 H15_C10_N4_O9_P --NCCN--CONCCCCOOOPOOOCO 14 32948 0 0 Q/QRT.sdf 0.714 0.920 0.756 20 24 28.000 H14_C10_N3_O10_P -C--CN-OCONCCCCOOOPOOOCO 15 4366 0 0 3/3MU.sdf 0.704 0.917 0.803 19 22 22.000 H15_C10_N2_O9_P CC--CN-OC--CCCCOOOPOOOCO 16 6623 0 0 5/5FU.sdf 0.704 0.917 0.803 19 22 10.000 H12_C9_N2_O9_F_P CC--CNFO---CCCCOOOPOOOCO 17 6508 0 0 5/5CF.sdf 0.704 0.917 0.810 19 22 10.000 H13_C9_N3_O8_F_P CC--CNFO---CCCCOOOPOOOCO 18 13930 0 0 B/B8Q.sdf 0.704 0.917 0.810 19 22 22.000 H18_C10_N3_O8_P CC--CN-OC--CCCCOOOPOOOCO 19 14977 0 0 C/C2R.sdf 0.704 0.917 0.782 19 22 10.000 H14_C9_N3_O9_P --NCCN--CO-CCCCOOOPOOOCO 20 22515 0 0 I/ICR.sdf 0.704 0.917 0.782 19 22 10.000 H14_C9_N3_O9_P --NCCN--CO-CCCCOOOPOOOCO 21 24033 0 0 J/JMH.sdf 0.704 0.917 0.810 19 22 22.000 H16_C10_N3_O8_P CC--CN-OC--CCCCOOOPOOOCO 22 27549 0 0 M/MDQ.sdf 0.704 0.917 0.793 19 22 30.000 H16_C10_N3_O8_P CC--CN-OCO-CCCCO-OPOOOCO 23 37453 0 0 U/UR3.sdf 0.704 0.917 0.803 19 22 22.000 H15_C10_N2_O9_P CC--CN-OC--CCCCOOOPOOOCO 24 20264 0 0 G/GE6.sdf 0.697 0.750 0.786 23 32 9.000 H15_C10_N3_O15_F_P3 CCNCCNFOCONCCCCOOOP-OOCO 25 30183 0 0 O/ONE.sdf 0.692 0.760 0.765 18 20 32.000 H14_C10_N_O8_P CC-CCN-----CCCCOOOPOOOCO 26 31942 0 0 P/PYO.sdf 0.692 0.833 0.749 18 20 18.000 H13_C9_N2_O8_P CC--CN-O---CCCCOOOPOOOCO 27 6684 0 0 5/5HM.sdf 0.679 0.958 0.824 19 23 24.000 H16_C10_N3_O9_P C--CCN--CO-CCCCOOOPOOOCO 28 7753 0 0 6/6CN.sdf 0.679 0.958 0.762 19 23 30.000 H12_C10_N3_O9_P -C--CN-OC-NCCCCOOOPOOOCO 29 15693 0 0 C/CNU.sdf 0.679 0.958 0.831 19 23 24.000 H12_C10_N3_O9_P C--CCN--C-NCCCCOOOPOOOCO 30 17508 0 0 E/E3C.sdf 0.679 0.880 0.793 19 23 19.000 H20_C11_N3_O8_P CC--CN-OC--CCCCOOOPOOOCO 31 19370 0 0 F/FNU.sdf 0.679 0.958 0.796 19 23 17.000 H13_C9_N3_O9_F_P CC--CNFO---CCCCOOOPOOOCO 32 19342 0 0 F/FMU.sdf 0.679 0.958 0.834 19 23 19.000 H16_C10_N2_O9_F_P CC--CNFO---CCCCOOOPOOOCO 33 21510 0 0 H/HEU.sdf 0.679 0.880 0.754 19 23 44.000 H17_C11_N2_O9_P CC--CN-OCO-CCCCO-OPOOOCO 34 24276 0 0 J/JW5.sdf 0.679 0.880 0.755 19 23 30.000 H15_C10_N2_O10_P -C--CN-OCO-CCCCOOOPOOOCO 35 28266 0 0 M/MMX.sdf 0.679 0.880 0.793 19 23 19.000 H22_C11_N3_O8_P CC--CN-OC--CCCCOOOPOOOCO 36 33972 0 0 R/RSQ.sdf 0.679 0.958 0.824 19 23 24.000 H14_C10_N3_O9_P C--CCN--CO-CCCCOOOPOOOCO 37 37080 0 0 U/U1P.sdf 0.679 0.958 0.762 19 23 30.000 H14_C10_N3_O9_P -C--CN-OC-NCCCCOOOPOOOCO 38 358 0 0 0/0C.sdf 0.667 0.875 0.776 18 21 15.000 H14_C9_N3_O8_P CC--CN-O---CCCCOOOPOOOCO 39 858 0 0 0/0U.sdf 0.667 0.875 0.768 18 21 15.000 H13_C9_N2_O9_P CC--CN-O---CCCCOOOPOOOCO 40 8059 0 0 6/6MI.sdf 0.667 0.786 0.782 20 26 43.000 H16_C12_N5_O8_P CCNCCN-OC--CCCCO-OPOOOCO 41 10719 0 0 8/8XU.sdf 0.667 0.875 0.768 18 21 15.000 H13_C9_N2_O9_P CC--CN-O---CCCCOOOPOOOCO 42 10704 0 0 8/8XC.sdf 0.667 0.875 0.776 18 21 15.000 H14_C9_N3_O8_P CC--CN-O---CCCCOOOPOOOCO 43 14993 0 0 C/C37.sdf 0.667 0.875 0.768 18 21 22.000 H13_C9_N3_O7_F_P CC--CNFO---CCCCO-OPOOOCO 44 14955 0 0 C/C25.sdf 0.667 0.875 0.776 18 21 15.000 H14_C9_N3_O8_P CC--CN-O---CCCCOOOPOOOCO 45 14882 0 0 C/C.sdf 0.667 0.875 0.776 18 21 15.000 H14_C9_N3_O8_P CC--CN-O---CCCCOOOPOOOCO 46 15073 0 0 C/C5P.sdf 0.667 0.875 0.776 18 21 15.000 H14_C9_N3_O8_P CC--CN-O---CCCCOOOPOOOCO 47 15239 0 0 C/CAR.sdf 0.667 0.875 0.776 18 21 15.000 H14_C9_N3_O8_P CC--CN-O---CCCCOOOPOOOCO 48 15459 0 0 C/CH.sdf 0.667 0.875 0.776 18 21 15.000 H15_C9_N3_O8_P CC--CN-O---CCCCOOOPOOOCO 49 16746 0 0 D/DHU.sdf 0.667 0.875 0.768 18 21 15.000 H15_C9_N2_O9_P CC--CN-O---CCCCOOOPOOOCO 50 21174 0 0 H/H2U.sdf 0.667 0.875 0.768 18 21 15.000 H15_C9_N2_O9_P CC--CN-O---CCCCOOOPOOOCO 51 23447 0 0 I/IY0.sdf 0.667 0.875 0.776 18 21 15.000 H10_C9_N3_O8_P CC--CN-O---CCCCOOOPOOOCO 52 26218 0 0 L/LC.sdf 0.667 0.875 0.776 18 21 15.000 H14_C9_N3_O8_P CC--CN-O---CCCCOOOPOOOCO 53 26402 0 0 L/LHU.sdf 0.667 0.875 0.768 18 21 15.000 H13_C9_N2_O9_P CC--CN-O---CCCCOOOPOOOCO 54 27564 0 0 M/ME6.sdf 0.667 0.875 0.768 18 21 34.000 H17_C10_N3_O7_P CC--CN-OC--CCCCO-OPOOOCO 55 34097 0 0 R/RY.sdf 0.667 0.875 0.776 18 21 15.000 H16_C9_N3_O8_P CC--CN-O---CCCCOOOPOOOCO 56 37089 0 0 U/U25.sdf 0.667 0.875 0.768 18 21 15.000 H13_C9_N2_O9_P CC--CN-O---CCCCOOOPOOOCO 57 37047 0 0 U/U.sdf 0.667 0.875 0.768 18 21 15.000 H13_C9_N2_O9_P CC--CN-O---CCCCOOOPOOOCO 58 37138 0 0 U/U5P.sdf 0.667 0.875 0.768 18 21 15.000 H13_C9_N2_O9_P CC--CN-O---CCCCOOOPOOOCO 59 37239 0 0 U/UD5.sdf 0.667 0.875 0.767 18 21 22.000 H12_C9_N2_O8_F_P CC--CNFO---CCCCOOOP-OOCO 60 37189 0 0 U/UAR.sdf 0.667 0.875 0.768 18 21 15.000 H13_C9_N2_O9_P CC--CN-O---CCCCOOOPOOOCO 61 37278 0 0 U/UFP.sdf 0.667 0.875 0.768 18 21 22.000 H12_C9_N2_O8_F_P CC--CNFO---CCCCO-OPOOOCO 62 37477 0 0 U/US5.sdf 0.667 0.875 0.750 18 21 15.000 H13_C9_N2_O8_P_SE CC--CN-O---CCCCOOOPOOOCO 63 7692 0 0 6/6AU.sdf 0.655 0.846 0.763 19 24 25.000 H15_C11_N2_O10_P -C--CN-OCO-CCCCOOOPOOOCO 64 24143 0 0 J/JQS.sdf 0.655 0.846 0.764 19 24 10.000 H15_C10_N4_O9_P --NCCN--CO-CCCCOOOPOOOCO 65 332 0 0 0/0AU.sdf 0.643 0.917 0.803 18 22 9.000 H12_C9_N2_O9_P_I CC--CN-O---CCCCOOOPOOOCO 66 6692 0 0 5/5HU.sdf 0.643 0.917 0.760 18 22 36.000 H15_C10_N2_O9_P C--CCN--CO-CCCCO-OPOOOCO 67 6674 0 0 5/5HC.sdf 0.643 0.917 0.785 18 22 36.000 H16_C10_N3_O8_P C--CCN--CO-CCCCO-OPOOOCO 68 6607 0 0 5/5FC.sdf 0.643 0.917 0.785 18 22 36.000 H14_C10_N3_O8_P C--CCN--CO-CCCCO-OPOOOCO 69 6487 0 0 5/5BU.sdf 0.643 0.917 0.803 18 22 9.000 H12_C9_N2_O9_P_BR CC--CN-O---CCCCOOOPOOOCO 70 6833 0 0 5/5MU.sdf 0.643 0.917 0.803 18 22 11.000 H15_C10_N2_O9_P CC--CN-O---CCCCOOOPOOOCO 71 6815 0 0 5/5MC.sdf 0.643 0.917 0.806 18 22 11.000 H16_C10_N3_O8_P CC--CN-O---CCCCOOOPOOOCO 72 6700 0 0 5/5IC.sdf 0.643 0.917 0.810 18 22 9.000 H13_C9_N3_O8_P_I CC--CN-O---CCCCOOOPOOOCO 73 14393 0 0 B/BMQ.sdf 0.643 0.840 0.756 18 22 15.000 H13_C9_N2_O10_P --N-CN-O-O-CCCCOOOPOOOCO 74 14392 0 0 B/BMP.sdf 0.643 0.840 0.756 18 22 15.000 H13_C9_N2_O10_P --N-CN-O-O-CCCCOOOPOOOCO 75 15278 0 0 C/CBV.sdf 0.643 0.917 0.810 18 22 9.000 H13_C9_N3_O8_P_BR CC--CN-O---CCCCOOOPOOOCO 76 15250 0 0 C/CB2.sdf 0.643 0.917 0.810 18 22 9.000 H13_C9_N3_O8_P_BR CC--CN-O---CCCCOOOPOOOCO 77 22876 0 0 I/IU.sdf 0.643 0.917 0.803 18 22 9.000 H12_C9_N2_O9_P_I CC--CN-O---CCCCOOOPOOOCO 78 27614 0 0 M/MFT.sdf 0.643 0.840 0.746 18 22 32.000 H17_C11_N2_O8_P CC--CN-OC--CCCCO-OPOOOCO 79 29275 0 0 N/NUP.sdf 0.643 0.917 0.763 18 22 19.000 H14_C9_N3_O9_P CC--CN-O---CCCCOOOPOOOCO 80 33980 0 0 R/RT.sdf 0.643 0.917 0.803 18 22 11.000 H15_C10_N2_O9_P CC--CN-O---CCCCOOOPOOOCO 81 36316 0 0 T/TKW.sdf 0.643 0.917 0.778 18 22 11.000 H14_C9_N3_O9_P CC--CN-O---CCCCOOOPOOOCO 82 37147 0 0 U/U6M.sdf 0.643 0.917 0.763 18 22 19.000 H15_C10_N2_O9_P CC--CN-O---CCCCOOOPOOOCO 83 37279 0 0 U/UFR.sdf 0.643 0.917 0.760 18 22 36.000 H13_C10_N2_O9_P C--CCN--CO-CCCCO-OPOOOCO 84 1584 0 0 1/1CC.sdf 0.621 0.958 0.773 18 23 29.000 H14_C10_N3_O9_P C--CCN--CO-CCCCO-OPOOOCO 85 15027 0 0 C/C49.sdf 0.621 0.880 0.765 18 23 36.000 H15_C10_N3_O7_F_P_S CC--CNFO---CCCCO-OPOOOCO 86 14992 0 0 C/C36.sdf 0.621 0.958 0.814 18 23 34.000 H17_C10_N3_O8_F_P CC--CNFO---CCCCO-OPOOOCO 87 15895 0 0 C/CTG.sdf 0.621 0.880 0.765 18 23 36.000 H17_C10_N2_O10_P C--CCN-OC--CCCCO-OPOOOCO 88 18571 0 0 E/EIX.sdf 0.621 0.880 0.765 18 23 36.000 H17_C10_N3_O7_F_P_S CC--CNFO---CCCCO-OPOOOCO 89 37264 0 0 U/UEP.sdf 0.621 0.880 0.775 18 23 18.000 H17_C11_N2_O9_P CC--CN-O---CCCCOOOPOOOCO 90 40608 0 0 X/XFC.sdf 0.621 0.958 0.793 18 23 26.000 H13_C10_N3_O8_F_P C--CCN--CO-CCCCO-OPOOOCO 91 31677 0 0 P/PQ1.sdf 0.613 0.786 0.755 19 26 25.000 H18_C12_N5_O8_P -C-CCN--C-NCCCCOOOPOOOCO 92 404 0 0 0/0DT.sdf 0.607 0.875 0.768 17 21 23.000 H15_C10_N2_O8_P CC--CN-O---CCCCO-OPOOOCO 93 2949 0 0 2/2GF.sdf 0.607 0.875 0.768 17 21 21.000 H11_C9_N3_O7_P_CL CC--CN-O---CCCCO-OPOOOCO 94 5827 0 0 4/4U3.sdf 0.607 0.875 0.768 17 21 21.000 H13_C9_N3_O7_P_CL CC--CN-O---CCCCO-OPOOOCO 95 6515 0 0 5/5CM.sdf 0.607 0.875 0.764 17 21 23.000 H16_C10_N3_O7_P CC--CN-O---CCCCO-OPOOOCO 96 6883 0 0 5/5OC.sdf 0.607 0.875 0.753 17 21 23.000 H14_C9_N3_O8_P CC--CN-O---CCCCO-OPOOOCO 97 6710 0 0 5/5IU.sdf 0.607 0.875 0.768 17 21 21.000 H12_C9_N2_O8_P_I CC--CN-O---CCCCO-OPOOOCO 98 6709 0 0 5/5IT.sdf 0.607 0.875 0.768 17 21 21.000 H12_C9_N2_O8_P_I CC--CN-O---CCCCO-OPOOOCO 99 7840 0 0 6/6F7.sdf 0.607 0.875 0.768 17 21 23.000 H15_C10_N2_O8_P CC--CN-O---CCCCOO-POOOCO 100 14568 0 0 B/BRU.sdf 0.607 0.875 0.768 17 21 21.000 H12_C9_N2_O8_P_BR CC--CN-O---CCCCO-OPOOOCO 101 14994 0 0 C/C38.sdf 0.607 0.875 0.768 17 21 21.000 H13_C9_N3_O7_P_I CC--CN-O---CCCCO-OPOOOCO 102 14988 0 0 C/C32.sdf 0.607 0.875 0.768 17 21 21.000 H13_C9_N3_O7_P_BR CC--CN-O---CCCCO-OPOOOCO 103 15275 0 0 C/CBR.sdf 0.607 0.875 0.768 17 21 21.000 H13_C9_N3_O7_P_BR CC--CN-O---CCCCO-OPOOOCO 104 15424 0 0 C/CFZ.sdf 0.607 0.875 0.746 17 21 17.000 H13_C9_N3_O7_F_P CC--CN-O---CCCCO-OPOOOCO 105 15412 0 0 C/CFL.sdf 0.607 0.875 0.746 17 21 17.000 H13_C9_N3_O7_F_P CC--CN-O---CCCCO-OPOOOCO 106 17123 0 0 D/DT.sdf 0.607 0.875 0.768 17 21 23.000 H15_C10_N2_O8_P CC--CN-O---CCCCO-OPOOOCO 107 17082 0 0 D/DRT.sdf 0.607 0.875 0.768 17 21 23.000 H15_C10_N2_O8_P CC--CN-O---CCCCO-OPOOOCO 108 18510 0 0 E/EW3.sdf 0.607 0.875 0.746 17 21 17.000 H14_C9_N2_O8_F_P CC--CN-O---CCCCO-OPOOOCO 109 22424 0 0 I/I5C.sdf 0.607 0.875 0.768 17 21 21.000 H13_C9_N3_O7_P_I CC--CN-O---CCCCO-OPOOOCO 110 28098 0 0 M/MUM.sdf 0.607 0.875 0.767 17 21 23.000 H17_C10_N2_O8_P CC--CN-O---CCCCOOOP-OOCO 111 30553 0 0 O/OFC.sdf 0.607 0.875 0.746 17 21 17.000 H13_C9_N3_O7_F_P CC--CN-O---CCCCO-OPOOOCO 112 30062 0 0 O/OHU.sdf 0.607 0.875 0.750 17 21 23.000 H13_C9_N2_O9_P CC--CN-O---CCCCO-OPOOOCO 113 31198 0 0 P/PBT.sdf 0.607 0.875 0.768 17 21 23.000 H17_C10_N2_O8_P CC--CN-O---CCCCO-OPOOOCO 114 32346 0 0 Q/QBT.sdf 0.607 0.875 0.768 17 21 23.000 H17_C10_N2_O8_P CC--CN-O---CCCCO-OPOOOCO 115 34031 0 0 R/RUS.sdf 0.607 0.875 0.742 17 21 16.000 H13_C9_N2_O8_P_SE CC--CN-----CCCCOOOPOOOCO 116 35788 0 0 T/T.sdf 0.607 0.875 0.768 17 21 23.000 H15_C10_N2_O8_P CC--CN-O---CCCCO-OPOOOCO 117 36574 0 0 T/TTI.sdf 0.607 0.875 0.768 17 21 21.000 H13_C9_N2_O8_P_TE CC--CN-O---CCCCO-OPOOOCO 118 36369 0 0 T/TMP.sdf 0.607 0.875 0.768 17 21 23.000 H15_C10_N2_O8_P CC--CN-O---CCCCO-OPOOOCO 119 37834 0 0 U/U48.sdf 0.607 0.875 0.764 17 21 23.000 H17_C10_N3_O7_P CC--CN-O---CCCCO-OPOOOCO 120 37228 0 0 U/UCL.sdf 0.607 0.875 0.768 17 21 21.000 H12_C9_N2_O8_P_CL CC--CN-O---CCCCO-OPOOOCO 121 37207 0 0 U/UBR.sdf 0.607 0.875 0.768 17 21 21.000 H12_C9_N2_O8_P_BR CC--CN-O---CCCCO-OPOOOCO 122 37281 0 0 U/UFT.sdf 0.607 0.875 0.746 17 21 17.000 H12_C9_N2_O8_F_P CC--CN-O---CCCCO-OPOOOCO 123 37268 0 0 U/UF2.sdf 0.607 0.875 0.746 17 21 17.000 H12_C9_N2_O8_F_P CC--CN-O---CCCCO-OPOOOCO 124 1689 0 0 1/1FC.sdf 0.600 1.000 0.780 18 24 19.000 H13_C10_N3_O9_F_P C--CCN--CO-CCCCO-OPOOOCO 125 27872 0 0 M/MNU.sdf 0.600 0.846 0.758 18 24 14.000 H18_C11_N3_O9_P CC--CN-O---CCCCOOOPOOOCO 126 28529 0 0 N/N5M.sdf 0.600 0.846 0.744 18 24 15.000 H13_C9_N4_O10_P CC--CN-O---CCCCOOOPOOOCO 127 860 0 0 0/0U1.sdf 0.586 0.917 0.742 17 22 20.000 H15_C10_N2_O8_P_SE CC--CN-O---CCCCO-OPOOOCO 128 7009 0 0 5/5SE.sdf 0.586 0.917 0.764 17 22 23.000 H16_C10_N3_O7_P_SE CC--CN-O---CCCCO-OPOOOCO 129 7501 0 0 6/64P.sdf 0.586 0.917 0.760 17 22 30.000 H18_C10_N3_O8_P ----CN-O-ONCCCCO-OPOOOCO 130 7505 0 0 6/64T.sdf 0.586 0.917 0.778 17 22 31.000 H17_C10_N2_O9_P CC--CN-O---CCCCO-OPOOOCO 131 15865 0 0 C/CSL.sdf 0.586 0.917 0.746 17 22 20.000 H16_C10_N3_O7_P_SE CC--CN-O---CCCCO-OPOOOCO 132 23837 0 0 J/JDT.sdf 0.586 0.840 0.757 17 22 25.000 H17_C11_N2_O8_P CC--CN-O---CCCCO-OPOOOCO 133 35921 0 0 T/T5S.sdf 0.586 0.917 0.764 17 22 23.000 H15_C10_N2_O8_P_SE CC--CN-O---CCCCO-OPOOOCO 134 36022 0 0 T/TAF.sdf 0.586 0.917 0.778 17 22 13.000 H14_C10_N2_O8_F_P CC--CN-O---CCCCO-OPOOOCO 135 37126 0 0 U/U4M.sdf 0.586 0.917 0.742 17 22 32.000 H14_C10_N2_O8_F_P CC--CN-O---CCCCO-OPOOOCO 136 37139 0 0 U/U5R.sdf 0.586 0.917 0.749 17 22 28.000 H14_C10_N2_O8_F_P CC--CN-O---CCCCO-OPOOOCO 137 37137 0 0 U/U5M.sdf 0.586 0.917 0.749 17 22 28.000 H14_C10_N2_O8_F_P CC--CN-O---CCCCO-OPOOOCO 138 37362 0 0 U/UMS.sdf 0.586 0.917 0.742 17 22 20.000 H15_C10_N2_O8_P_SE CC--CN-O---CCCCO-OPOOOCO 139 9324 0 0 7/7MG.sdf 0.581 0.815 0.745 18 25 19.000 H18_C11_N5_O8_P C--CCN---O-CCCCOOOPOOOCO 140 18511 0 0 E/EWC.sdf 0.581 0.815 0.748 18 25 43.000 H14_C10_N5_O9_P -CN-CN-O-O-CCCCO-OPOOOCO 141 20061 0 0 G/G7M.sdf 0.581 0.815 0.745 18 25 19.000 H17_C11_N5_O8_P C--CCN---O-CCCCOOOPOOOCO 142 34893 0 0 S/SDH.sdf 0.581 0.815 0.748 18 25 43.000 H16_C10_N5_O9_P -CN-CN-O-O-CCCCO-OPOOOCO 143 3340 0 0 2/2ST.sdf 0.567 0.880 0.762 17 23 16.000 H17_C11_N2_O8_P_SE CC--CN-O---CCCCO-OPOOOCO 144 13252 0 0 A/ATL.sdf 0.567 0.808 0.745 17 23 37.000 H15_C11_N2_O9_P CC--CN-O---CCCCO-OPOOOCO 145 14696 0 0 B/BVP.sdf 0.567 0.880 0.757 17 23 26.000 H14_C11_N2_O8_P_BR CC--CN-O---CCCCO-OPOOOCO 146 26235 0 0 L/LCH.sdf 0.567 0.808 0.748 17 23 37.000 H16_C11_N3_O8_P CC--CN-O---CCCCO-OPOOOCO 147 26230 0 0 L/LCC.sdf 0.567 0.808 0.748 17 23 37.000 H16_C11_N3_O8_P CC--CN-O---CCCCO-OPOOOCO 148 36337 0 0 T/TLN.sdf 0.567 0.808 0.745 17 23 37.000 H15_C11_N2_O9_P CC--CN-O---CCCCO-OPOOOCO 149 37706 0 0 U/UWJ.sdf 0.567 0.880 0.762 17 23 16.000 H17_C11_N2_O8_P_SE CC--CN-O---CCCCO-OPOOOCO 150 40770 0 0 X/XTH.sdf 0.533 0.840 0.742 16 22 25.000 H17_C11_N2_O8_P CC--CN-O---CC-CO-OPOOOCO [ATOM_MATCHING] 1 |1 17|2 18|3 20|4 21|5 15|6 14|7 19|8 16|9 22|10 23|11 24|12 7|13 9|14 11|15 13|16 8|17 12|18 10|19 2|20 1|21 3|22 4|23 6|24 5 2 |1 4|2 3|3 12|4 2|5 10|6 13|8 21|9 1|10 14|11 11|12 6|13 8|14 9|15 5|16 15|17 20|18 19|19 22|20 17|21 18|22 37|23 7|24 16 3 |3 16|4 17|5 20|6 14|8 22|9 18|10 19|11 21|12 7|13 9|14 11|15 13|16 8|17 12|18 10|19 1|20 2|21 3|22 4|23 6|24 5 4 |1 22|2 21|4 16|5 15|6 14|9 17|10 18|11 19|12 7|13 9|14 11|15 13|16 8|17 12|18 10|19 2|20 1|21 3|22 4|23 6|24 5 5 |3 7|4 4|5 5|6 9|9 2|10 1|11 3|12 16|13 12|14 11|15 10|16 15|17 14|18 13|19 19|20 20|21 21|22 22|23 17|24 18 6 |3 7|4 4|5 5|6 9|9 2|10 1|11 3|12 16|13 12|14 11|15 10|16 15|17 14|18 13|19 19|20 20|21 21|22 22|23 17|24 18 7 |1 9|2 8|4 5|5 3|6 2|8 4|9 13|10 14|12 18|13 16|14 12|15 10|16 19|18 17|19 1|20 11|21 15|22 37|23 20|24 21 8 |1 15|2 16|4 18|5 19|6 14|9 20|10 22|12 7|13 9|14 11|15 13|16 8|17 12|18 10|19 1|20 2|21 3|22 4|23 6|24 5 9 |3 3|4 8|5 5|8 4|9 10|10 7|11 9|12 19|13 16|14 13|15 11|16 20|17 14|18 17|19 1|20 12|21 15|22 18|23 21|24 22 10 |1 21|2 20|4 17|5 15|6 14|8 16|12 7|13 9|14 11|15 13|16 8|17 12|18 10|19 2|20 1|21 3|22 4|23 6|24 5 11 |1 9|2 8|4 5|5 3|6 2|8 4|9 13|12 17|13 15|14 12|15 10|16 18|18 16|19 1|20 11|21 14|22 36|23 19|24 20 12 |3 16|4 17|6 14|9 18|10 19|11 20|12 7|13 9|14 11|15 13|16 8|17 12|18 10|19 1|20 2|21 3|22 4|23 6|24 5 13 |3 16|4 17|5 21|6 14|9 18|10 19|11 20|12 7|13 9|14 11|15 13|16 8|17 12|18 10|19 2|20 1|21 3|22 4|23 6|24 5 14 |2 10|5 12|6 13|8 21|9 22|10 24|11 23|12 7|13 17|14 16|15 9|16 8|17 19|18 18|19 1|20 2|21 3|22 4|23 6|24 5 15 |1 9|2 8|5 3|6 2|8 4|9 11|12 16|13 14|14 12|15 10|16 17|17 13|18 15|19 1|20 20|21 21|22 35|23 18|24 19 16 |1 8|2 2|5 6|6 9|7 1|8 7|12 16|13 14|14 12|15 10|16 11|17 13|18 15|19 19|20 20|21 21|22 22|23 17|24 18 17 |1 11|2 9|5 4|6 3|7 10|8 5|12 17|13 15|14 13|15 12|16 18|17 14|18 16|19 2|20 1|21 21|22 22|23 19|24 20 18 |1 10|2 3|5 2|6 1|8 14|9 11|12 8|13 6|14 5|15 4|16 17|17 15|18 16|19 21|20 19|21 20|22 39|23 9|24 18 19 |3 17|4 16|5 15|6 14|9 20|10 22|12 11|13 8|14 6|15 13|16 12|17 7|18 9|19 1|20 2|21 3|22 4|23 10|24 5 20 |3 16|4 17|5 21|6 14|9 18|10 20|12 7|13 9|14 11|15 13|16 8|17 12|18 10|19 2|20 1|21 3|22 4|23 6|24 5 21 |1 10|2 3|5 2|6 1|8 14|9 11|12 8|13 6|14 5|15 4|16 17|17 15|18 16|19 21|20 19|21 20|22 22|23 9|24 18 22 |1 9|2 8|5 3|6 2|8 4|9 13|10 14|12 18|13 16|14 12|15 10|16 19|18 17|19 1|20 11|21 15|22 22|23 20|24 21 23 |1 10|2 17|5 11|6 9|8 12|9 14|12 6|13 20|14 18|15 8|16 7|17 19|18 21|19 1|20 2|21 3|22 22|23 5|24 4 24 |1 6|2 7|3 14|4 8|5 10|6 13|7 11|8 19|9 9|10 18|11 12|12 4|13 1|14 2|15 3|16 15|17 16|18 17|19 30|21 22|22 23|23 5|24 20 25 |1 16|2 17|4 20|5 15|6 14|12 7|13 9|14 10|15 13|16 8|17 11|18 12|19 2|20 1|21 3|22 4|23 6|24 5 26 |1 15|2 17|5 16|6 14|8 18|12 7|13 9|14 12|15 10|16 8|17 13|18 11|19 2|20 1|21 3|22 4|23 6|24 5 27 |1 15|4 18|5 17|6 14|9 19|10 20|12 7|13 9|14 11|15 13|16 8|17 12|18 10|19 2|20 1|21 3|22 4|23 6|24 5 28 |2 16|5 20|6 14|8 21|9 22|11 23|12 7|13 8|14 10|15 13|16 12|17 11|18 9|19 2|20 1|21 3|22 4|23 6|24 5 29 |1 15|4 21|5 20|6 14|9 22|11 23|12 7|13 9|14 11|15 13|16 8|17 12|18 10|19 2|20 1|21 3|22 4|23 6|24 5 30 |1 9|2 7|5 2|6 10|8 13|9 21|12 6|13 4|14 3|15 1|16 16|17 14|18 15|19 20|20 18|21 19|22 42|23 8|24 17 31 |1 10|2 9|5 3|6 2|7 15|8 5|12 20|13 17|14 13|15 11|16 21|17 14|18 18|19 1|20 12|21 16|22 19|23 22|24 23 32 |1 7|2 4|5 5|6 1|7 23|8 3|12 14|13 13|14 11|15 8|16 16|17 12|18 15|19 19|20 20|21 21|22 22|23 17|24 18 33 |1 19|2 18|5 10|6 9|8 11|9 14|10 15|12 6|13 20|14 21|15 8|16 7|18 22|19 1|20 2|21 3|22 23|23 5|24 4 34 |2 6|5 2|6 10|8 1|9 8|10 9|12 17|13 15|14 13|15 11|16 12|17 14|18 16|19 20|20 21|21 22|22 23|23 18|24 19 35 |1 9|2 7|5 2|6 10|8 13|9 21|12 6|13 4|14 3|15 1|16 16|17 14|18 15|19 20|20 18|21 19|22 23|23 8|24 17 36 |1 3|4 8|5 9|6 2|9 11|10 16|12 17|13 14|14 12|15 10|16 18|17 13|18 15|19 1|20 21|21 22|22 23|23 19|24 20 37 |2 12|5 6|6 5|8 7|9 22|11 23|12 15|13 16|14 18|15 21|16 20|17 19|18 17|19 2|20 1|21 3|22 4|23 14|24 13 38 |1 21|2 20|5 15|6 14|8 16|12 7|13 9|14 11|15 13|16 8|17 12|18 10|19 2|20 1|21 3|22 4|23 6|24 5 39 |1 21|2 20|5 15|6 14|8 16|12 7|13 9|14 11|15 13|16 8|17 12|18 10|19 2|20 1|21 3|22 4|23 6|24 5 40 |1 12|2 11|3 10|4 9|5 7|6 6|8 8|9 19|12 22|13 25|14 20|15 24|16 23|18 26|19 1|20 2|21 3|22 4|23 21|24 5 41 |1 10|2 16|5 11|6 9|8 12|12 6|13 19|14 17|15 8|16 7|17 18|18 20|19 1|20 2|21 3|22 21|23 5|24 4 42 |1 10|2 16|5 11|6 9|8 12|12 6|13 19|14 17|15 8|16 7|17 18|18 20|19 1|20 2|21 3|22 21|23 5|24 4 43 |1 20|2 19|5 14|6 13|7 21|8 15|12 7|13 9|14 11|15 12|16 8|18 10|19 2|20 1|21 3|22 4|23 6|24 5 44 |1 21|2 20|5 15|6 14|8 16|12 7|13 9|14 11|15 13|16 8|17 12|18 10|19 2|20 1|21 3|22 4|23 6|24 5 45 |1 21|2 20|5 15|6 14|8 16|12 7|13 9|14 11|15 13|16 8|17 12|18 10|19 2|20 1|21 3|22 4|23 6|24 5 46 |1 19|2 18|5 15|6 14|8 20|12 7|13 9|14 11|15 13|16 8|17 12|18 10|19 2|20 1|21 3|22 4|23 6|24 5 47 |1 21|2 20|5 15|6 14|8 16|12 7|13 9|14 11|15 13|16 8|17 12|18 10|19 1|20 2|21 3|22 4|23 6|24 5 48 |1 21|2 20|5 15|6 14|8 16|12 7|13 9|14 11|15 13|16 8|17 12|18 10|19 2|20 1|21 3|22 4|23 6|24 5 49 |1 21|2 20|5 15|6 14|8 16|12 7|13 9|14 11|15 13|16 8|17 12|18 10|19 1|20 2|21 3|22 4|23 6|24 5 50 |1 21|2 20|5 15|6 14|8 16|12 7|13 9|14 12|15 11|16 8|17 13|18 10|19 1|20 2|21 3|22 4|23 6|24 5 51 |1 4|2 3|5 5|6 10|8 13|12 7|13 8|14 1|15 6|16 14|17 15|18 16|19 21|20 18|21 19|22 20|23 9|24 17 52 |1 21|2 20|5 15|6 14|8 16|12 7|13 9|14 11|15 13|16 8|17 12|18 10|19 2|20 1|21 3|22 4|23 6|24 5 53 |1 21|2 20|5 15|6 14|8 16|12 7|13 9|14 11|15 13|16 8|17 12|18 10|19 2|20 1|21 3|22 4|23 6|24 5 54 |1 8|2 7|5 2|6 9|8 1|9 4|12 15|13 13|14 12|15 10|16 11|18 14|19 18|20 19|21 20|22 37|23 16|24 17 55 |1 18|2 17|5 12|6 11|8 13|12 4|13 6|14 8|15 10|16 5|17 9|18 7|19 1|20 19|21 20|22 21|23 2|24 3 56 |1 21|2 20|5 15|6 14|8 16|12 7|13 9|14 11|15 13|16 8|17 12|18 10|19 2|20 1|21 3|22 4|23 6|24 5 57 |1 21|2 20|5 15|6 14|8 16|12 7|13 9|14 11|15 13|16 8|17 12|18 10|19 2|20 1|21 3|22 4|23 6|24 5 58 |1 6|2 5|5 2|6 1|8 7|12 13|13 12|14 10|15 9|16 15|17 11|18 14|19 18|20 19|21 20|22 21|23 16|24 17 59 |1 20|2 19|5 14|6 13|7 21|8 15|12 6|13 8|14 10|15 12|16 7|17 11|18 9|19 1|21 2|22 3|23 5|24 4 60 |1 21|2 20|5 15|6 14|8 16|12 7|13 9|14 11|15 13|16 8|17 12|18 10|19 2|20 1|21 3|22 4|23 6|24 5 61 |1 6|2 5|5 2|6 1|7 9|8 7|12 13|13 12|14 11|15 10|16 15|18 14|19 18|20 19|21 20|22 21|23 16|24 17 62 |1 9|2 8|5 3|6 2|8 4|12 17|13 15|14 12|15 10|16 18|17 13|18 16|19 1|20 11|21 14|22 34|23 19|24 20 63 |2 18|5 22|6 13|8 23|9 15|10 17|12 7|13 8|14 9|15 11|16 12|17 10|18 24|19 2|20 1|21 3|22 4|23 6|24 5 64 |3 14|4 1|5 13|6 15|9 5|10 23|12 11|13 10|14 3|15 8|16 22|17 7|18 4|19 24|20 19|21 20|22 21|23 12|24 18 65 |1 20|2 19|5 14|6 13|8 15|12 6|13 8|14 10|15 12|16 7|17 11|18 9|19 1|20 2|21 3|22 22|23 5|24 4 66 |1 14|4 19|5 21|6 13|9 20|10 22|12 7|13 9|14 11|15 12|16 8|18 10|19 1|20 2|21 3|22 4|23 6|24 5 67 |1 13|4 18|5 21|6 12|9 19|10 20|12 6|13 8|14 10|15 11|16 7|18 9|19 1|20 2|21 3|22 22|23 5|24 4 68 |1 7|4 12|5 6|6 5|9 20|10 21|12 15|13 18|14 13|15 17|16 16|18 19|19 1|20 2|21 3|22 22|23 14|24 4 69 |1 21|2 20|5 15|6 14|8 16|12 7|13 9|14 11|15 13|16 8|17 12|18 10|19 1|20 2|21 3|22 4|23 6|24 5 70 |1 7|2 5|5 2|6 1|8 8|12 14|13 13|14 11|15 10|16 16|17 12|18 15|19 19|20 20|21 21|22 22|23 17|24 18 71 |1 21|2 20|5 15|6 14|8 16|12 7|13 9|14 11|15 13|16 8|17 12|18 10|19 1|20 2|21 3|22 4|23 6|24 5 72 |1 9|2 10|5 14|6 8|8 15|12 5|13 3|14 2|15 7|16 6|17 1|18 4|19 19|20 20|21 21|22 22|23 17|24 18 73 |3 17|5 21|6 14|8 22|10 19|12 7|13 9|14 11|15 13|16 8|17 12|18 10|19 1|20 2|21 3|22 4|23 6|24 5 74 |3 17|5 21|6 14|8 22|10 19|12 7|13 9|14 11|15 13|16 8|17 12|18 10|19 1|20 2|21 3|22 4|23 6|24 5 75 |1 21|2 20|5 15|6 14|8 16|12 7|13 9|14 11|15 13|16 8|17 12|18 10|19 2|20 1|21 3|22 4|23 6|24 5 76 |1 15|2 16|5 20|6 14|8 21|12 7|13 2|14 3|15 5|16 6|17 4|18 1|19 10|20 11|21 12|22 13|23 8|24 9 77 |1 21|2 20|5 15|6 14|8 16|12 7|13 9|14 11|15 13|16 8|17 12|18 10|19 1|20 2|21 3|22 4|23 6|24 5 78 |1 9|2 8|5 3|6 2|8 4|9 13|12 17|13 15|14 12|15 10|16 18|18 16|19 1|20 11|21 14|22 39|23 19|24 20 79 |1 7|2 6|5 4|6 9|8 5|12 16|13 14|14 12|15 10|16 11|17 13|18 15|19 19|20 20|21 21|22 22|23 17|24 18 80 |1 22|2 20|5 15|6 14|8 16|12 7|13 9|14 11|15 13|16 8|17 12|18 10|19 2|20 1|21 3|22 4|23 6|24 5 81 |1 22|2 20|5 15|6 14|8 16|12 7|13 9|14 11|15 13|16 8|17 12|18 10|19 2|20 1|21 3|22 4|23 6|24 5 82 |1 7|2 6|5 2|6 9|8 1|12 16|13 14|14 12|15 10|16 11|17 13|18 15|19 19|20 20|21 21|22 22|23 17|24 18 83 |1 14|4 19|5 20|6 13|9 21|10 22|12 7|13 9|14 11|15 12|16 8|18 10|19 2|20 1|21 3|22 4|23 6|24 5 84 |1 17|4 13|5 12|6 11|9 19|10 21|12 6|13 7|14 8|15 9|16 10|18 22|19 1|20 2|21 3|22 36|23 5|24 4 85 |1 20|2 19|5 14|6 13|7 22|8 15|12 7|13 9|14 11|15 12|16 8|18 10|19 1|20 2|21 3|22 4|23 6|24 5 86 |1 21|2 20|5 15|6 14|7 22|8 16|12 8|13 10|14 12|15 13|16 9|18 11|19 3|20 2|21 4|22 5|23 7|24 6 87 |1 12|4 17|5 10|6 9|8 11|9 18|12 6|13 21|14 20|15 8|16 7|18 22|19 1|20 2|21 3|22 23|23 5|24 4 88 |1 10|2 8|5 3|6 13|7 12|8 16|12 7|13 5|14 4|15 2|16 18|18 17|19 22|20 20|21 21|22 39|23 9|24 19 89 |1 17|2 18|5 22|6 14|8 23|12 7|13 8|14 10|15 13|16 12|17 11|18 9|19 2|20 1|21 3|22 4|23 6|24 5 90 |1 10|4 15|5 16|6 9|9 17|10 18|12 6|13 19|14 20|15 8|16 7|18 22|19 1|20 2|21 3|22 23|23 5|24 4 91 |2 15|4 18|5 19|6 9|9 20|11 21|12 6|13 24|14 22|15 8|16 7|17 23|18 25|19 1|20 2|21 3|22 26|23 5|24 4 92 |1 21|2 19|5 14|6 13|8 15|12 7|13 9|14 11|15 12|16 8|18 10|19 2|20 1|21 3|22 4|23 6|24 5 93 |1 19|2 18|5 13|6 12|8 14|12 6|13 8|14 10|15 11|16 7|18 9|19 1|20 2|21 3|22 31|23 5|24 4 94 |1 5|2 4|5 1|6 18|8 19|12 12|13 14|14 16|15 17|16 13|18 15|19 7|20 8|21 9|22 33|23 10|24 11 95 |1 7|2 5|5 2|6 1|8 8|12 13|13 12|14 11|15 10|16 14|18 15|19 18|20 19|21 20|22 21|23 16|24 17 96 |1 10|2 8|5 3|6 2|8 4|12 15|13 13|14 12|15 11|16 16|18 14|19 1|20 19|21 20|22 33|23 17|24 18 97 |1 6|2 5|5 2|6 1|8 7|12 13|13 12|14 11|15 10|16 15|18 14|19 18|20 19|21 20|22 21|23 16|24 17 98 |1 21|2 19|5 14|6 13|8 15|12 7|13 9|14 11|15 12|16 8|18 10|19 1|20 2|21 3|22 4|23 6|24 5 99 |1 7|2 5|5 2|6 1|8 8|12 14|13 13|14 11|15 10|16 15|17 12|19 18|20 19|21 20|22 21|23 16|24 17 100 |1 6|2 5|5 2|6 1|8 7|12 13|13 12|14 11|15 10|16 15|18 14|19 18|20 19|21 20|22 21|23 16|24 17 101 |1 20|2 19|5 14|6 13|8 15|12 7|13 9|14 11|15 12|16 8|18 10|19 2|20 1|21 3|22 4|23 6|24 5 102 |1 20|2 19|5 14|6 13|8 15|12 7|13 9|14 11|15 12|16 8|18 10|19 2|20 1|21 3|22 4|23 6|24 5 103 |1 7|2 13|5 8|6 6|8 9|12 16|13 19|14 14|15 18|16 17|18 20|19 2|20 3|21 4|22 21|23 15|24 5 104 |1 9|2 8|5 3|6 2|8 4|12 18|13 15|14 12|15 10|16 19|18 16|19 1|20 11|21 14|22 17|23 20|24 21 105 |1 20|2 19|5 14|6 13|8 15|12 7|13 9|14 11|15 12|16 8|18 10|19 2|20 1|21 3|22 4|23 6|24 5 106 |1 21|2 19|5 14|6 13|8 15|12 7|13 9|14 11|15 12|16 8|18 10|19 2|20 1|21 3|22 4|23 6|24 5 107 |1 21|2 19|5 14|6 13|8 15|12 7|13 9|14 11|15 12|16 8|18 10|19 2|20 1|21 3|22 4|23 6|24 5 108 |1 20|2 19|5 14|6 13|8 15|12 7|13 3|14 2|15 5|16 6|18 4|19 10|20 11|21 12|22 21|23 8|24 9 109 |1 7|2 13|5 8|6 6|8 9|12 16|13 19|14 14|15 18|16 17|18 20|19 2|20 3|21 4|22 21|23 15|24 5 110 |1 6|2 1|5 8|6 7|8 9|12 12|13 13|14 15|15 10|16 11|17 16|18 14|19 19|21 20|22 21|23 17|24 18 111 |1 9|2 8|5 2|6 1|8 3|12 16|13 14|14 12|15 10|16 11|18 15|19 4|20 19|21 20|22 33|23 17|24 18 112 |1 10|2 8|5 3|6 2|8 4|12 15|13 13|14 12|15 11|16 16|18 14|19 1|20 19|21 20|22 21|23 17|24 18 113 |1 21|2 19|5 14|6 13|8 15|12 7|13 9|14 11|15 12|16 8|18 10|19 1|20 2|21 3|22 4|23 6|24 5 114 |1 19|2 18|5 13|6 12|8 14|12 6|13 8|14 10|15 11|16 7|18 9|19 1|20 2|21 3|22 21|23 5|24 4 115 |1 9|2 8|5 3|6 2|12 18|13 15|14 12|15 10|16 19|17 13|18 16|19 1|20 11|21 14|22 17|23 20|24 21 116 |1 21|2 19|5 14|6 13|8 15|12 7|13 9|14 11|15 12|16 8|18 10|19 2|20 1|21 3|22 4|23 6|24 5 117 |1 9|2 8|5 3|6 2|8 4|12 14|13 12|14 11|15 10|16 15|18 13|19 18|20 1|21 19|22 20|23 16|24 17 118 |1 21|2 19|5 14|6 13|8 15|12 7|13 9|14 11|15 12|16 8|18 10|19 1|20 2|21 3|22 4|23 6|24 5 119 |1 5|2 4|5 1|6 17|8 2|12 11|13 13|14 15|15 16|16 12|18 14|19 7|20 6|21 8|22 21|23 10|24 9 120 |1 20|2 19|5 14|6 13|8 15|12 7|13 9|14 11|15 12|16 8|18 10|19 2|20 1|21 3|22 4|23 6|24 5 121 |1 20|2 19|5 14|6 13|8 15|12 7|13 9|14 11|15 12|16 8|18 10|19 2|20 1|21 3|22 4|23 6|24 5 122 |1 7|2 13|5 8|6 6|8 9|12 17|13 20|14 15|15 19|16 18|18 21|19 2|20 1|21 3|22 4|23 16|24 5 123 |1 13|2 14|5 17|6 12|8 18|12 5|13 6|14 8|15 10|16 11|18 7|19 1|20 2|21 20|22 21|23 4|24 3 124 |1 22|4 15|5 14|6 13|9 16|10 18|12 5|13 3|14 2|15 11|16 12|18 4|19 8|20 9|21 10|22 36|23 6|24 7 125 |1 10|2 16|5 11|6 9|8 12|12 6|13 22|14 20|15 8|16 7|17 21|18 23|19 1|20 2|21 3|22 24|23 5|24 4 126 |1 10|2 4|5 8|6 11|8 9|12 18|13 16|14 14|15 12|16 13|17 15|18 17|19 21|20 22|21 23|22 24|23 19|24 20 127 |1 17|2 16|5 11|6 10|8 12|12 4|13 6|14 8|15 9|16 5|18 7|19 1|20 18|21 19|22 36|23 3|24 2 128 |1 9|2 8|5 3|6 2|8 4|12 16|13 14|14 12|15 10|16 17|18 15|19 1|20 11|21 13|22 38|23 18|24 19 129 |5 13|6 12|8 14|10 17|11 21|12 6|13 8|14 10|15 11|16 7|18 9|19 1|20 2|21 3|22 38|23 5|24 4 130 |1 21|2 18|5 13|6 12|8 14|12 6|13 8|14 10|15 11|16 7|18 9|19 1|20 2|21 3|22 22|23 5|24 4 131 |1 16|2 15|5 10|6 9|8 11|12 6|13 20|14 17|15 8|16 7|18 21|19 1|20 2|21 3|22 22|23 5|24 4 132 |1 9|2 8|5 3|6 2|8 4|12 15|13 13|14 12|15 11|16 16|18 14|19 1|20 20|21 21|22 22|23 17|24 18 133 |1 7|2 13|5 8|6 6|8 9|12 18|13 21|14 16|15 20|16 19|18 22|19 2|20 1|21 3|22 4|23 17|24 5 134 |1 7|2 13|5 8|6 6|8 9|12 18|13 21|14 16|15 20|16 19|18 22|19 1|20 2|21 3|22 4|23 17|24 5 135 |1 9|2 7|5 2|6 12|8 14|12 6|13 4|14 3|15 1|16 17|18 15|19 21|20 19|21 20|22 35|23 8|24 18 136 |1 7|2 6|5 2|6 8|8 1|12 15|13 13|14 11|15 9|16 10|18 14|19 19|20 20|21 21|22 22|23 16|24 18 137 |1 7|2 6|5 2|6 8|8 1|12 15|13 13|14 11|15 9|16 10|18 14|19 19|20 20|21 21|22 35|23 16|24 18 138 |1 22|2 21|5 16|6 15|8 17|12 7|13 9|14 11|15 13|16 8|18 10|19 2|20 1|21 3|22 4|23 6|24 5 139 |1 15|4 17|5 24|6 14|10 19|12 7|13 9|14 11|15 13|16 8|17 12|18 10|19 1|20 2|21 3|22 4|23 6|24 5 140 |2 20|3 22|5 12|6 11|8 13|10 23|12 6|13 7|14 8|15 9|16 10|18 24|19 1|20 2|21 3|22 25|23 5|24 4 141 |1 15|4 18|5 25|6 14|10 20|12 7|13 9|14 11|15 13|16 8|17 12|18 10|19 2|20 1|21 3|22 4|23 6|24 5 142 |2 15|3 17|5 6|6 5|8 7|10 10|12 20|13 23|14 18|15 22|16 21|18 24|19 1|20 2|21 3|22 39|23 19|24 4 143 |1 7|2 13|5 8|6 6|8 9|12 17|13 20|14 15|15 19|16 18|18 23|19 2|20 1|21 3|22 4|23 16|24 5 144 |1 22|2 20|5 15|6 14|8 16|12 6|13 8|14 10|15 12|16 7|18 9|19 2|20 1|21 3|22 23|23 5|24 4 145 |1 14|2 15|5 22|6 13|8 23|12 6|13 2|14 3|15 4|16 5|18 1|19 9|20 10|21 11|22 12|23 7|24 8 146 |1 7|2 8|5 13|6 6|8 14|12 3|13 15|14 16|15 5|16 4|18 18|19 20|20 21|21 22|22 23|23 2|24 1 147 |1 7|2 8|5 13|6 6|8 14|12 3|13 15|14 16|15 5|16 4|18 18|19 20|20 21|21 22|22 23|23 2|24 1 148 |1 11|2 12|5 17|6 10|8 18|12 7|13 19|14 20|15 9|16 8|18 22|19 1|20 2|21 3|22 4|23 6|24 5 149 |1 2|2 18|5 1|6 16|8 17|12 8|13 10|14 12|15 15|16 9|18 11|19 4|20 3|21 5|22 23|23 7|24 6 150 |1 22|2 20|5 15|6 14|8 16|12 7|13 8|15 12|16 13|18 9|19 2|20 1|21 3|22 4|23 6|24 5 [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 24 +0.74997 +0.000000 +1.000000 +0.000000 +3.141593 +0.00000 +0.00000 +0.00000 2 23 +2.34887 +0.010025 +0.999950 +0.000000 +3.141593 +0.21302 +0.13116 +0.00000 3 21 +1.68803 +0.041389 +0.999143 +0.000000 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