#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.sdf -osc ./DKCOMBU_PDBLIG_20240403/D09537
#DATE_START Apr 9,2024 4:58:23
#DATE_END   Apr 9,2024 4:58:24
#COMP_TIME_PROGRESS  0.224933 seconds
#COMP_TIME           0.655710 seconds
#QUERY_FILENAME    ./SDF_2D/D09537.sdf
#QUERY_NAME        D09537
#QUERY_FILETYPE    S
#QUERY_MOLFORMULA  C5_N3_O2_F
#QUERY_NATOM       11
#QUERY_NHEAVYATOM  11
#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  15772
#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]:CCNCCNFOCNO
#                                                                     [ring_for_query]:aaaaaa     
#                                                              [atom_number_for_query]:         11
#                                                                                     :12345678901
#[rk][num][name]            [sMCS][sONE][sPAIR][Npair][Nhvyatm][seldis][molform]      :-----------
1    31960 0 0 P/PZA.sdf    0.818 0.818 0.818   9   9   21.000 H5_C5_N3_O              CCNCCN--CNO 
2    12328 0 0 A/A1U.sdf    0.667 0.667 0.667   8   9   18.000 H8_C6_N2_O              CCNCCN-OC-- 
3    25136 0 0 K/KGE.sdf    0.667 0.667 0.667   8   9   23.000 H11_C6_N_O2             CCNCC--OC-O 
4    25124 0 0 K/KFW.sdf    0.667 0.667 0.667   8   9   23.000 H13_C6_N_O2             CCNCC--OC-O 
5    28716 0 0 N/NCA.sdf    0.667 0.667 0.685   8   9   23.000 H6_C6_N2_O              CC-CCN--CNO 
6    32570 0 0 Q/QOS.sdf    0.667 0.667 0.667   8   9   18.000 H8_C6_N2_O              CCNCCN-OC-- 
7    38430 0 0 V/VGL.sdf    0.667 0.818 0.741   8   9   23.000 H4_C5_N2_O2             CCNCCN--C-O 
8    39570 0 0 W/WM1.sdf    0.667 0.667 0.685   8   9   23.000 H6_C6_N2_O              CCNCC---CNO 
9    32051 0 0 P/PQO.sdf    0.643 0.769 0.784   9  12    9.000 H5_C6_N2_O3_BR          CCNCC--OCNO 
10   40975 0 0 X/XJJ.sdf    0.636 0.636 0.636   7   7   27.000 H8_C4_N2_O              CCNCCN-O--- 
11   5367  0 0 4/4FG.sdf    0.615 0.615 0.632   8  10   22.000 H7_C6_N3_O              CC-CCN--CNO 
12   10217 0 0 8/8GC.sdf    0.615 0.615 0.632   8  10   21.000 H9_C7_N2_O              CC-CCN--CNO 
13   10162 0 0 8/8EJ.sdf    0.615 0.615 0.649   8  10   22.000 H8_C7_N2_O              CC-CCN--CNO 
14   14567 0 0 B/BRT.sdf    0.615 0.750 0.767   8  10   14.000 H5_C6_N2_O_BR           CC-CCN--CNO 
15   18223 0 0 E/ES6.sdf    0.615 0.615 0.615   8  10   15.000 H5_C6_N_O3              CC-CCN-OC-O 
16   26164 0 0 L/LA7.sdf    0.615 0.615 0.615   8  10   16.000 H9_C7_N_O2              CCNCC--OC-O 
17   27684 0 0 M/MHW.sdf    0.615 0.615 0.615   8  10   15.000 H5_C6_N_O3              CCNCC--OC-O 
18   29024 0 0 N/NMJ.sdf    0.615 0.909 0.837   8  10   13.000 H3_C5_N2_O2_CL          CCNCCN--C-O 
19   30047 0 0 O/OHB.sdf    0.615 0.615 0.615   8  10   16.000 H7_C7_N_O2              CC-CC--OCNO 
20   31967 0 0 P/PZI.sdf    0.615 0.750 0.615   8  10   39.000 H10_C6_N2_O2            CC--CN-OCNO 
21   31872 0 0 P/PW3.sdf    0.615 0.750 0.615   8  10   26.000 H10_C6_N2_O2            CCNCCN-O--O 
22   171   0 0 0/04V.sdf    0.583 0.727 0.644   7   8   18.000 H10_C5_N2_O             CCNC----CNO 
23   1701  0 0 1/1FP.sdf    0.583 0.727 0.624   7   8   34.000 H10_C5_N2_O             CCNCCN----O 
24   16314 0 0 D/D4V.sdf    0.583 0.583 0.604   7   8   27.000 H7_C6_N_O               CC-CCN-OC-- 
25   26624 0 0 L/LPD.sdf    0.583 0.727 0.644   7   8   18.000 H10_C5_N2_O             CCNC----CNO 
26   31715 0 0 P/PR9.sdf    0.583 0.727 0.644   7   8   18.000 H10_C5_N2_O             CCNC----CNO 
27   31934 0 0 P/PYF.sdf    0.583 0.583 0.604   7   8   32.000 H7_C6_N_O               CC-CCN--C-O 
28   38317 0 0 V/V8W.sdf    0.583 0.727 0.644   7   8   18.000 H12_C5_N2_O             CCNC----CNO 
29   2992  0 0 2/2HO.sdf    0.571 0.571 0.601   8  11   22.000 H5_C7_N_O_F2            CC-CC-F-CNO 
30   11912 0 0 9/9TW.sdf    0.571 0.571 0.601   8  11   29.000 H5_C7_N_O_F_CL          CC-CC-F-CNO 
31   20019 0 0 G/G63.sdf    0.571 0.692 0.662   8  11   25.000 H14_C6_N2_O3            CCNCC--OC-O 
32   20815 0 0 G/GWP.sdf    0.571 0.692 0.677   8  11   26.000 H9_C7_N3_O              CCNCC---CNO 
33   30788 0 0 O/OJX.sdf    0.571 0.692 0.647   8  11   23.000 H7_C6_N2_O3             CCNCCN--C-O 
34   34369 0 0 R/R6O.sdf    0.571 0.833 0.739   8  11   15.000 H3_C6_N2_O2_BR          CCNCC--OCN- 
35   38960 0 0 V/V7J.sdf    0.571 0.692 0.601   8  11   44.000 H8_C6_N2_O3             CC--CN-OCNO 
36   11952 0 0 9/9VA.sdf    0.562 0.667 0.609   9  14   22.000 H13_C8_N3_O3            CCNCCN-OC-O 
37   1513  0 0 1/1AB.sdf    0.538 0.667 0.593   7   9   18.000 H11_C5_N_O3             -CNCC--OC-O 
38   5451  0 0 4/4HU.sdf    0.538 0.667 0.685   7   9   24.000 H6_C6_N_O_BR            CCNCC---C-O 
39   6435  0 0 5/5AC.sdf    0.538 0.667 0.667   7   9    6.000 H6_C4_N4_O              --NCCN--CNO 
40   8155  0 0 6/6PC.sdf    0.538 0.667 0.611   7   9   25.000 H5_C6_N_O2              CCNCC---C-O 
41   15754 0 0 C/CPI.sdf    0.538 0.667 0.611   7   9   25.000 H11_C6_N_O2             CCNCC---C-O 
42   17808 0 0 E/EDG.sdf    0.538 0.667 0.593   7   9   18.000 H11_C5_N_O3             -CNCC--OC-O 
43   20961 0 0 G/G8X.sdf    0.538 0.667 0.593   7   9   13.000 H9_C5_N_O3              -CNCC--OC-O 
44   21718 0 0 H/HM3.sdf    0.538 0.667 0.648   7   9   29.000 H6_C6_N_O_CL            CCNCC---C-O 
45   22078 0 0 H/HY3.sdf    0.538 0.667 0.593   7   9   13.000 H9_C5_N_O3              -CNCC--OC-O 
46   22987 0 0 I/I4S.sdf    0.538 0.538 0.611   7   9   25.000 H7_C5_N3_O              C-NCCN-OC-- 
47   23387 0 0 I/ID7.sdf    0.538 0.667 0.593   7   9   25.000 H11_C6_N_O2             CC-CCN--C-O 
48   23281 0 0 I/IJF.sdf    0.538 0.667 0.648   7   9   29.000 H6_C6_N_O_BR            CCNCC---C-O 
49   22687 0 0 I/IMR.sdf    0.538 0.667 0.593   7   9   18.000 H11_C5_N_O3             -CNCC--OC-O 
50   25740 0 0 K/KLF.sdf    0.538 0.818 0.667   7   9   16.000 H10_C5_N2_O2            -CNCC---CNO 
51   26278 0 0 L/LDU.sdf    0.538 0.667 0.593   7   9   18.000 H11_C5_N_O3             -CNCC--OC-O 
52   28919 0 0 N/NIO.sdf    0.538 0.667 0.593   7   9   25.000 H5_C6_N_O2              CC-CCN--C-O 
53   29065 0 0 N/NNU.sdf    0.538 0.667 0.593   7   9   27.000 H7_C6_N2_CL             CC-CCN--CN- 
54   29069 0 0 N/NNY.sdf    0.538 0.667 0.630   7   9   29.000 H7_C6_N2_CL             CCNCC---CN- 
55   33503 0 0 R/R8A.sdf    0.538 0.667 0.630   7   9   24.000 H8_C6_N2_O              CC-CCN--C-O 
56   38980 0 0 V/V5Y.sdf    0.538 0.667 0.593   7   9   31.000 H12_C6_N2_O             CC--CN--CNO 
57   39798 0 0 W/WPV.sdf    0.538 0.667 0.667   7   9   23.000 H7_C6_N2_BR             CC-CCN--CN- 
58   41450 0 0 Y/YCP.sdf    0.538 0.667 0.611   7   9   25.000 H11_C6_N_O2             CCNCC---C-O 
59   42935 0 0 Z/ZGX.sdf    0.538 0.667 0.611   7   9   32.000 H10_C6_N2_O             CCNCCN----O 
60   2261  0 0 1/1Y4.sdf    0.533 0.643 0.588   8  12   27.000 H14_C8_N2_O2            CCNCCN--C-O 
61   19401 0 0 F/FOT.sdf    0.533 0.769 0.602   8  12   29.000 H3_C5_N2_O4_F           C-NC-NFOC-O 
62   24771 0 0 K/K1V.sdf    0.533 0.643 0.588   8  12   21.000 H14_C8_N2_O2            CC-CCN--CNO 
63   34370 0 0 R/R6X.sdf    0.533 0.643 0.657   8  12   11.000 H4_C6_N_O4_BR           CCNCC--OC-O 
64   39003 0 0 V/VBT.sdf    0.533 0.643 0.602   8  12   18.000 H2_C6_N_O2_F_CL2        CC-CCNF-C-O 
65   39758 0 0 W/W1S.sdf    0.533 0.643 0.602   8  12   19.000 H11_C8_N3_O             CC-CCN--CNO 
66   42582 0 0 Z/ZWZ.sdf    0.533 0.643 0.615   8  12   24.000 H16_C7_N2_O3            CCNCC--OCN- 
67   5990  0 0 4/4ZC.sdf    0.500 0.615 0.649   7  10   17.000 H4_C7_N_O_CL            CC-CC--OCN- 
68   6206  0 0 5/53B.sdf    0.500 0.615 0.599   7  10   18.000 H5_C6_N_O3              CCNCC---C-O 
69   12813 0 0 A/AGK.sdf    0.500 0.750 0.649   7  10   15.000 H12_C5_N2_O3            C-NCC--OC-O 
70   13449 0 0 A/AZF.sdf    0.500 0.750 0.649   7  10   15.000 H12_C5_N2_O3            C-NCC--OC-O 
71   16678 0 0 D/DFU.sdf    0.500 0.615 0.599   7  10   29.000 H13_C6_N_O3             CCNCC--OC-- 
72   19709 0 0 F/FYU.sdf    0.500 0.750 0.599   7  10   18.000 H4_C5_N2_O3             C--CCN-OC-O 
73   20371 0 0 G/GIF.sdf    0.500 0.615 0.615   7  10   22.000 H13_C6_N_O3             CC-CCN--C-O 
74   21744 0 0 H/HMU.sdf    0.500 0.750 0.599   7  10   18.000 H6_C5_N2_O3             C--CCN-OC-O 
75   23283 0 0 I/IJL.sdf    0.500 0.615 0.599   7  10   25.000 H6_C7_N_O_I             CC-CC---CNO 
76   22575 0 0 I/IFM.sdf    0.500 0.615 0.615   7  10   22.000 H13_C6_N_O3             CC-CCN--C-O 
77   27683 0 0 M/MHV.sdf    0.500 0.615 0.599   7  10   21.000 H9_C6_N_O3              CCNC---OC-O 
78   28219 0 0 M/MZ0.sdf    0.500 0.636 0.614   6   7   24.000 H6_C4_N2_O              --NCCN--C-O 
79   37498 0 0 U/UUJ.sdf    0.500 0.615 0.649   7  10   17.000 H4_C7_N_O_BR            CC-CC--OCN- 
80   39776 0 0 W/W3M.sdf    0.500 0.636 0.614   6   7   24.000 H3_C4_N3                --NCCN--CN- 
81   39470 0 0 W/WCE.sdf    0.500 0.615 0.649   7  10   17.000 H6_C7_N_O_CL            CC-CC---CNO 
82   40385 0 0 X/X09.sdf    0.500 0.600 0.613   8  13   46.000 H16_C8_N2_O3            CCNCC--OCN- 
83   40855 0 0 X/X4P.sdf    0.500 0.750 0.682   7  10   25.000 H5_C6_N2_O_CL           CC--CN--CNO 
84   40987 0 0 X/XKY.sdf    0.500 0.636 0.614   6   7   24.000 H7_C4_N3                --NCCN--CN- 
85   41682 0 0 Y/Y31.sdf    0.500 0.750 0.682   7  10   16.000 H4_C6_N_O2_BR           CC-CCN--C-O 
86   7856  0 0 6/6FP.sdf    0.471 0.667 0.597   8  14   35.000 H5_C7_N5_O2             CCNCCN--C-O 
87   21598 0 0 H/HHR.sdf    0.471 0.667 0.597   8  14   35.000 H7_C7_N5_O2             CCNCCN--C-O 
88   21596 0 0 H/HHP.sdf    0.471 0.667 0.597   8  14   35.000 H9_C7_N5_O2             CCNCCN--C-O 
89   31385 0 0 P/PH2.sdf    0.471 0.667 0.597   8  14   35.000 H9_C7_N5_O2             CCNCCN--C-O 
90   2745  0 0 2/2AL.sdf    0.467 0.692 0.601   7  11   17.000 H4_C4_N4_O3             --NCCN-O-NO 
91   3962  0 0 3/3AL.sdf    0.467 0.692 0.601   7  11   17.000 H6_C4_N4_O3             --NCCN-O-NO 
92   6983  0 0 5/5RG.sdf    0.467 0.692 0.601   7  11   12.000 H6_C7_N_O2_F            CC-CC-F-C-O 
93   6823  0 0 5/5MK.sdf    0.467 0.571 0.616   7  11   10.000 H7_C7_N2_O_CL           CC-CC---CNO 
94   42610 0 0 Z/ZY9.sdf    0.467 0.692 0.616   7  11   17.000 H8_C7_N2_O2             CCNCC---C-O 
95   5449  0 0 4/4HS.sdf    0.462 0.583 0.604   6   8   18.000 H4_C5_N_O_BR            CC-CCN-O--- 
96   15447 0 0 C/CGN.sdf    0.462 0.727 0.604   6   8   19.000 H7_C5_N_O2              CCNC----C-O 
97   15504 0 0 C/CIG.sdf    0.462 0.727 0.665   6   8   18.000 H4_C4_N3_CL             CCNCCN----- 
98   13013 0 0 A/AMR.sdf    0.444 0.625 0.625   8  15   19.000 H8_C6_N7_O_CL           CCNCCN--C-O 
99   21894 0 0 H/HRO.sdf    0.438 0.769 0.602   7  12   23.000 H3_C5_N2_O4_CL          C-NC-N-OC-O 
100  22629 0 0 I/IJZ.sdf    0.438 0.769 0.588   7  12   23.000 H5_C5_N3_O4             C-NC-N-OC-O 
101  22825 0 0 I/IRO.sdf    0.438 0.769 0.602   7  12   23.000 H3_C5_N2_O4_I           C-NC-N-OC-O 
102  31909 0 0 P/PXM.sdf    0.438 0.643 0.602   7  12   27.000 H12_C8_N2_O2            CC-CCN--C-O 
103  33946 0 0 R/RRO.sdf    0.438 0.769 0.602   7  12   23.000 H3_C5_N2_O4_BR          C-NC-N-OC-O 
104  37446 0 0 U/UQJ.sdf    0.438 0.643 0.588   7  12   18.000 H7_C6_N3_O_F2           ---CCNF-CNO 
105  1881  0 0 1/1MC.sdf    0.429 0.818 0.611   6   9   27.000 H7_C5_N3_O              CC--CN-OC-- 
106  1849  0 0 1/1LD.sdf    0.429 0.818 0.611   6   9   10.000 H4_C4_N3_O_F            CC--CNFO--- 
107  2651  0 0 2/27Y.sdf    0.429 0.667 0.611   6   9   10.000 H4_C5_N_O2_BR           CC-CCN-O--- 
108  4348  0 0 3/3MC.sdf    0.429 0.818 0.611   6   9   22.000 H8_C5_N3_O              CC--CN-OC-- 
109  5362  0 0 4/4FB.sdf    0.429 0.818 0.667   6   9    9.000 H8_C5_N_O2_F            CC-C--F-C-O 
110  5492  0 0 4/4JO.sdf    0.429 0.667 0.593   6   9   24.000 H7_C6_N2_BR             CCNCC---C-- 
111  10963 0 0 8/86Z.sdf    0.429 0.667 0.593   6   9   26.000 H6_B_C5_N_O2            CCNCC-----O 
112  13626 0 0 A/A1H4N.sdf  0.429 0.667 0.630   6   9   10.000 H3_C4_N3_CL2            CCNCCN----- 
113  18374 0 0 E/EX8.sdf    0.429 0.818 0.630   6   9   18.000 H8_C5_N_O2_F            -CNCC---C-O 
114  19739 0 0 F/F0O.sdf    0.429 0.667 0.593   6   9   22.000 H2_C4_N_O2_S_CL         C--CCN--C-O 
115  19440 0 0 F/FPY.sdf    0.429 0.818 0.593   6   9   10.000 H5_C4_N2_O2_F           CC--CNFO--- 
116  19416 0 0 F/FP9.sdf    0.429 0.818 0.667   6   9    9.000 H8_C5_N_O2_F            CC-C--F-C-O 
117  23983 0 0 J/JKH.sdf    0.429 0.818 0.593   6   9   18.000 H11_C5_N2_O2            -CNCC---C-O 
118  27724 0 0 M/MJB.sdf    0.429 0.667 0.593   6   9   28.000 H14_C6_N2_O             CCNCCN----- 
119  29820 0 0 O/O7U.sdf    0.429 0.818 0.593   6   9   39.000 H6_C3_N3_O2_P           -CNCC----NO 
120  36133 0 0 T/TDR.sdf    0.429 0.818 0.593   6   9   23.000 H6_C5_N2_O2             C--CCN-OC-- 
121  37461 0 0 U/URF.sdf    0.429 0.818 0.593   6   9   10.000 H3_C4_N2_O2_F           CC--CNFO--- 
122  41117 0 0 X/XH5.sdf    0.429 0.818 0.593   6   9   23.000 H8_C5_N2_O2             C--CCN-OC-- 
123  40727 0 0 X/XPC.sdf    0.429 0.818 0.593   6   9   14.000 H10_C5_N2_O2            C--CCN--C-O 
124  5014  0 0 4/44W.sdf    0.412 0.600 0.587   7  13   15.000 H9_C7_N5_O              CCNCCN----O 
125  5013  0 0 4/44V.sdf    0.412 0.600 0.587   7  13   15.000 H11_C7_N5_O             CCNCCN----O 
126  13844 0 0 B/B62.sdf    0.412 0.600 0.587   7  13   15.000 H11_C7_N5_O             CCNCCN----O 
127  39898 0 0 W/WOM.sdf    0.412 0.714 0.613   7  13   21.000 H3_C6_N2_O2_CL3         CCNCC---C-O 
128  8268  0 0 6/6SM.sdf    0.400 0.909 0.615   6  10   14.000 H3_C5_N2_O2_CL          C-NC-N--C-O 
129  13062 0 0 A/AO4.sdf    0.400 0.750 0.615   6  10   23.000 H4_C6_N_O2_CL           CC--CN--C-O 
130  18594 0 0 E/E4I.sdf    0.400 0.750 0.599   6  10   17.000 H7_C4_N3_O2_S           --NCCN---NO 
131  21732 0 0 H/HMH.sdf    0.400 0.750 0.599   6  10   20.000 H9_C6_N3_O              C--CCN--C-O 
132  22312 0 0 H/HWC.sdf    0.400 0.750 0.665   6  10   17.000 H7_C6_N2_O_BR           CC-CCN-O--- 
133  31256 0 0 P/PDF.sdf    0.400 0.750 0.615   6  10   14.000 H7_C5_N_O2_F2           -CNCC---C-O 
134  39995 0 0 W/W8W.sdf    0.400 0.909 0.649   6  10   25.000 H5_C5_N2_O2_BR          CC--CN-OC-- 
135  14071 0 0 B/BCY.sdf    0.389 0.667 0.609   7  14   34.000 H15_C9_N3_O2            CCN-C--OC-O 
136  80    0 0 0/02A.sdf    0.385 0.636 0.591   5   7   12.000 H7_C4_N_O2              -CNC----C-O 
137  23347 0 0 I/IRU.sdf    0.385 0.636 0.614   5   7   19.000 H6_C4_N2_O              C--C-N--C-O 
138  40970 0 0 X/XH4.sdf    0.385 0.636 0.614   5   7   19.000 H10_C4_N2_O             C--C-N--C-O 
139  35420 0 0 S/SX1.sdf    0.375 0.692 0.601   6  11   12.000 H6_C7_N_O2_BR           CC-CC---C-O 
140  15963 0 0 C/CVG.sdf    0.357 0.727 0.624   5   8   14.000 H6_C5_N2_O              CCN-C--O--- 
141  10267 0 0 8/8IG.sdf    0.353 0.643 0.602   6  12   19.000 H4_C5_N5_O_I            -CNCCN----O 
142  11703 0 0 9/9MG.sdf    0.353 0.643 0.588   6  12   21.000 H7_C6_N5_O              C-NC-N-O-N- 
143  14636 0 0 B/BTY.sdf    0.353 0.643 0.602   6  12   35.000 H7_C6_N5_O              CCN-C--O-N- 
144  14554 0 0 B/BRG.sdf    0.353 0.643 0.602   6  12   19.000 H4_C5_N5_O_BR           -CNCCN----O 
145  1410  0 0 1/17E.sdf    0.333 0.818 0.593   5   9   11.000 H7_C5_N3_O              CC--CN-O--- 
146  7076  0 0 5/5UC.sdf    0.333 0.818 0.593   5   9    9.000 H3_C4_N2_O2_CL          CC--CN-O--- 
147  22536 0 0 I/IDH.sdf    0.333 0.818 0.593   5   9    9.000 H5_C4_N2_O2_I           CC--CN-O--- 
148  22884 0 0 I/IUR.sdf    0.333 0.818 0.593   5   9    9.000 H3_C4_N2_O2_I           CC--CN-O--- 
149  37457 0 0 U/URB.sdf    0.333 0.818 0.593   5   9    9.000 H3_C4_N2_O2_BR          CC--CN-O--- 
150  23870 0 0 J/JFD.sdf    0.312 0.909 0.615   5  10    9.000 H4_C4_N3_O2_BR          --N-CN-O-N- 
[ATOM_MATCHING]
1    |1 5|2 4|3 9|4 8|5 7|6 6|9 1|10 2|11 3
2    |1 1|2 2|3 8|4 3|5 4|6 7|8 9|9 6
3    |1 6|2 5|3 4|4 3|5 8|8 9|9 2|11 1
4    |1 5|2 4|3 1|4 3|5 7|8 9|9 2|11 8
5    |1 6|2 5|4 3|5 2|6 1|9 7|10 9|11 8
6    |1 1|2 2|3 8|4 3|5 4|6 7|8 9|9 6
7    |1 3|2 2|3 8|4 1|5 5|6 9|9 4|11 7
8    |1 3|2 4|3 5|4 6|5 1|9 7|10 9|11 8
9    |1 5|2 4|3 8|4 2|5 1|8 9|9 3|10 7|11 10
10   |1 6|2 5|3 4|4 3|5 2|6 7|8 1
11   |1 5|2 2|4 4|5 3|6 7|9 6|10 9|11 10
12   |1 5|2 4|4 2|5 7|6 8|9 1|10 9|11 10
13   |1 7|2 8|4 3|5 4|6 1|9 5|10 9|11 10
14   |1 3|2 4|4 7|5 1|6 2|9 8|10 10|11 9
15   |1 7|2 6|4 4|5 9|6 8|8 10|9 2|11 3
16   |1 4|2 9|3 8|4 5|5 2|8 1|9 6|11 7
17   |1 8|2 9|3 1|4 2|5 5|8 6|9 3|11 10
18   |1 5|2 4|3 3|4 2|5 1|6 6|9 8|11 10
19   |1 8|2 9|4 4|5 5|8 6|9 2|10 3|11 1
20   |1 6|2 7|5 9|6 5|8 10|9 2|10 1|11 3
21   |1 5|2 4|3 3|4 8|5 7|6 6|8 9|11 10
22   |1 3|2 2|3 1|4 5|9 6|10 7|11 8
23   |1 4|2 6|3 8|4 5|5 3|6 7|11 1
24   |1 1|2 3|4 5|5 2|6 8|8 6|9 7
25   |1 7|2 6|3 5|4 4|9 2|10 3|11 1
26   |1 7|2 6|3 5|4 3|9 2|10 4|11 1
27   |1 6|2 5|4 3|5 2|6 1|9 7|11 8
28   |1 6|2 7|3 1|4 2|9 3|10 4|11 8
29   |1 5|2 7|4 2|5 3|7 6|9 10|10 1|11 11
30   |1 4|2 3|4 6|5 1|7 8|9 9|10 11|11 10
31   |1 3|2 11|3 10|4 7|5 5|8 6|9 8|11 9
32   |1 2|2 10|3 9|4 8|5 11|9 6|10 7|11 5
33   |1 1|2 4|3 8|4 3|5 2|6 7|9 6|11 11
34   |1 5|2 4|3 8|4 2|5 1|8 9|9 3|10 7
35   |1 6|2 5|5 3|6 8|8 10|9 1|10 7|11 11
36   |1 9|2 1|3 2|4 3|5 6|6 8|8 7|9 4|11 5
37   |2 5|3 6|4 7|5 2|8 1|9 8|11 9
38   |1 4|2 5|3 7|4 1|5 2|9 8|11 9
39   |3 9|4 4|5 5|6 7|9 2|10 1|11 3
40   |1 3|2 2|3 9|4 1|5 6|9 4|11 8
41   |1 3|2 2|3 1|4 6|5 5|9 7|11 19
42   |2 3|3 4|4 7|5 5|8 6|9 8|11 9
43   |2 6|3 3|4 7|5 4|8 1|9 8|11 9
44   |1 6|2 7|3 2|4 3|5 4|9 1|11 8
45   |2 7|3 3|4 4|5 5|8 8|9 1|11 9
46   |1 3|3 6|4 2|5 4|6 8|8 9|9 1
47   |1 7|2 6|4 4|5 8|6 9|9 1|11 3
48   |1 2|2 3|3 4|4 8|5 5|9 7|11 6
49   |2 9|3 4|4 3|5 5|8 6|9 2|11 1
50   |2 7|3 1|4 2|5 5|9 3|10 9|11 4
51   |2 5|3 6|4 7|5 2|8 1|9 8|11 9
52   |1 6|2 5|4 3|5 2|6 1|9 7|11 9
53   |1 6|2 7|4 3|5 4|6 5|9 2|10 1
54   |1 4|2 3|3 8|4 2|5 6|9 1|10 7
55   |1 1|2 9|4 5|5 7|6 8|9 2|11 4
56   |1 6|2 5|5 2|6 9|9 3|10 1|11 7
57   |1 2|2 5|4 7|5 3|6 1|9 8|10 9
58   |1 6|2 7|3 2|4 4|5 5|9 1|11 9
59   |1 7|2 2|3 6|4 1|5 5|6 4|11 8
60   |1 3|2 2|3 1|4 9|5 8|6 7|9 10|11 24
61   |1 2|3 5|4 9|6 6|7 8|8 4|9 10|11 12
62   |1 10|2 11|4 3|5 4|6 6|9 5|10 1|11 12
63   |1 5|2 4|3 7|4 2|5 1|8 8|9 3|11 10
64   |1 5|2 4|4 2|5 6|6 8|7 7|9 1|11 10
65   |1 4|2 3|4 9|5 5|6 10|9 7|10 8|11 6
66   |1 5|2 7|3 9|4 10|5 2|8 1|9 11|10 12
67   |1 4|2 5|4 8|5 2|8 1|9 9|10 10
68   |1 9|2 8|3 7|4 3|5 2|9 4|11 6
69   |1 5|3 10|4 7|5 2|8 1|9 8|11 9
70   |1 5|3 10|4 7|5 2|8 1|9 8|11 9
71   |1 2|2 1|3 10|4 5|5 4|8 7|9 6
72   |1 7|4 4|5 3|6 2|8 6|9 9|11 10
73   |1 1|2 4|4 8|5 9|6 2|9 10|11 3
74   |1 2|4 8|5 5|6 4|8 7|9 9|11 6
75   |1 2|2 3|4 9|5 6|9 7|10 5|11 8
76   |1 5|2 3|4 8|5 7|6 6|9 9|11 10
77   |1 8|2 9|3 1|4 2|8 7|9 3|11 10
78   |3 1|4 5|5 4|6 3|9 6|11 7
79   |1 2|2 1|4 7|5 5|8 6|9 8|10 4
80   |3 1|4 4|5 5|6 6|9 3|10 2
81   |1 7|2 1|4 4|5 5|9 8|10 9|11 10
82   |1 6|2 5|3 10|4 11|5 2|8 1|9 12|10 13
83   |1 4|2 3|5 5|6 8|9 1|10 7|11 9
84   |3 7|4 3|5 4|6 5|9 2|10 1
85   |1 4|2 1|4 7|5 6|6 5|9 8|11 10
86   |1 12|2 5|3 4|4 3|5 14|6 13|9 2|11 1
87   |1 3|2 7|3 11|4 12|5 1|6 2|9 13|11 14
88   |1 3|2 7|3 11|4 12|5 1|6 2|9 13|11 14
89   |1 12|2 11|3 1|4 2|5 3|6 4|9 13|11 14
90   |3 7|4 1|5 2|6 4|8 3|10 10|11 11
91   |3 7|4 1|5 2|6 4|8 3|10 10|11 11
92   |1 6|2 10|4 11|5 9|7 4|9 8|11 3
93   |1 4|2 5|4 8|5 2|9 9|10 11|11 10
94   |1 7|2 8|3 4|4 3|5 5|9 2|11 11
95   |1 1|2 7|4 3|5 2|6 6|8 5
96   |1 2|2 3|3 4|4 7|9 6|11 8
97   |1 5|2 6|3 8|4 2|5 3|6 4
98   |1 12|2 14|3 1|4 2|5 9|6 11|9 3|11 8
99   |1 7|3 12|4 4|6 9|8 11|9 2|11 3
100  |1 7|3 11|4 4|6 9|8 12|9 2|11 3
101  |1 7|3 12|4 4|6 9|8 11|9 2|11 3
102  |1 2|2 4|4 7|5 10|6 1|9 8|11 9
103  |1 7|3 12|4 4|6 9|8 11|9 2|11 3
104  |4 8|5 7|6 4|7 11|9 9|10 1|11 6
105  |1 2|2 8|5 5|6 1|8 6|9 4
106  |1 2|2 8|5 3|6 1|7 9|8 4
107  |1 6|2 4|4 2|5 8|6 7|8 9
108  |1 9|2 8|5 4|6 3|8 5|9 2
109  |1 7|2 5|4 3|7 6|9 2|11 9
110  |1 6|2 7|3 8|4 3|5 2|9 4
111  |1 5|2 6|3 7|4 2|5 3|11 9
112  |1 6|2 2|3 8|4 3|5 1|6 5
113  |2 7|3 6|4 3|5 4|9 2|11 1
114  |1 2|4 4|5 1|6 5|9 3|11 7
115  |1 9|2 7|5 2|6 1|7 8|8 3
116  |1 6|2 8|4 4|7 7|9 1|11 9
117  |2 4|3 2|4 3|5 5|9 1|11 9
118  |1 9|2 5|3 6|4 1|5 2|6 4
119  |2 2|3 1|4 9|5 8|10 5|11 6
120  |1 2|4 7|5 5|6 4|8 6|9 8
121  |1 6|2 5|5 2|6 1|7 9|8 7
122  |1 1|4 3|5 2|6 7|8 9|9 4
123  |1 3|4 6|5 5|6 4|9 7|11 18
124  |1 6|2 7|3 9|4 10|5 4|6 5|11 12
125  |1 2|2 3|3 4|4 5|5 6|6 7|11 12
126  |1 8|2 6|3 5|4 4|5 10|6 9|11 1
127  |1 5|2 4|3 7|4 3|5 2|9 6|11 10
128  |1 8|3 5|4 4|6 9|9 2|11 3
129  |1 9|2 10|5 6|6 8|9 1|11 3
130  |3 7|4 2|5 3|6 4|10 8|11 9
131  |1 3|4 7|5 5|6 4|9 9|11 10
132  |1 8|2 6|4 2|5 3|6 4|8 10
133  |2 2|3 1|4 3|5 4|9 6|11 16
134  |1 5|2 6|5 4|6 1|8 8|9 10
135  |1 8|2 9|3 3|5 6|8 4|9 13|11 14
136  |2 6|3 1|4 2|9 3|11 13
137  |1 4|4 2|6 5|9 1|11 7
138  |1 5|4 3|6 6|9 2|11 1
139  |1 10|2 8|4 4|5 5|9 2|11 3
140  |1 1|2 4|3 7|5 3|8 5
141  |2 3|3 12|4 10|5 9|6 8|11 2
142  |1 3|3 11|4 12|6 4|8 7|10 10
143  |1 8|2 3|3 11|5 2|8 5|10 12
144  |2 11|3 10|4 9|5 2|6 3|11 8
145  |1 8|2 7|5 2|6 1|8 3
146  |1 7|2 8|5 2|6 6|8 1
147  |1 8|2 7|5 2|6 1|8 3
148  |1 8|2 7|5 2|6 1|8 3
149  |1 5|2 3|5 7|6 6|8 8
150  |3 8|5 3|6 5|8 4|10 10
[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      9  +1.18921 -0.259527 +0.965736 +0.000000 +3.141593 +20.00447 -20.17554  +0.00000
2      8  +0.12126 -0.000000 -0.000000 +1.000000 -0.293822 +19.30916 -20.55334  +0.00000
3      8  +0.72738 +0.000000 +0.000000 +1.000000 +0.359325 +19.89491 -20.41524  +0.00000
4      8  +0.72738 +0.000000 +0.000000 +1.000000 +0.359325 +19.89491 -20.41524  +0.00000
5      8  +0.15003 -0.000000 -0.000000 +1.000000 -2.618660 +19.99881 -20.16782  +0.00000
6      8  +0.12126 -0.000000 -0.000000 +1.000000 -0.293822 +19.30916 -20.55334  +0.00000
7      8  +0.13055 -0.000000 -0.000000 +1.000000 -2.618191 +20.03087 -20.17422  +0.00000
8      8  +1.26014 -0.000000 -0.000000 +1.000000 -2.614368 +19.99968 -20.19335  +0.00000
9      9  +1.18950 +0.980909 +0.194469 +0.000000 +3.141593 +19.73659 -20.57300  +0.00000
10     7  +0.11167 -0.000000 -0.000000 +1.000000 -0.523483 +19.41002 -20.92001  +0.00000
11     8  +1.26102 -0.259225 +0.965817 +0.000000 +3.141593 +19.63794 -20.37666  +0.00000
12     8  +1.26105 +0.924145 +0.382042 +0.000000 +3.141593 +19.89788 -20.52645  +0.00000
13     8  +1.26102 +0.965817 +0.259225 +0.000000 +3.141593 +19.63794 -20.37666  +0.00000
14     8  +1.26105 +0.000000 +0.000000 +1.000000 +0.264870 +19.63769 -20.07665  +0.00000
15     8  +0.70986 -0.338445 +0.940986 +0.000000 +3.141593 +19.90706 -20.08025  +0.00000
16     8  +0.72737 +0.000000 +0.000000 +1.000000 +0.115749 +19.51220 -20.35353  +0.00000
17     8  +0.13679 +0.000000 +0.000000 +1.000000 +0.474967 +20.17137 -20.38223  +0.00000
18     8  +0.69554 +0.967062 +0.254543 +0.000000 +3.141593 +19.41501 -19.85384  +0.00000
19     8  +1.26122 -0.235770 +0.971809 +0.000000 +3.141593 +20.13920 -20.37697  +0.00000
20     8  +1.31736 -0.000000 -0.000000 +1.000000 -2.354400 +20.16674 -20.73933  +0.00000
21     8  +1.02924 +0.000000 +0.000000 +1.000000 +1.427809 +20.00205 -20.01388  +0.00000
22     7  +1.07072 +0.000000 +0.000000 +1.000000 +0.346568 +19.92903 -19.59743  +0.00000
23     7  +0.38274 +0.000000 +0.000000 +1.000000 +1.159161 +19.44535 -20.01312  +0.00000
24     7  +0.12290 +0.000000 +0.000000 +1.000000 +3.139853 +19.66759 -20.70555  +0.00000
25     7  +0.24934 -0.195905 +0.980623 +0.000000 +3.141593 +20.05658 -19.92584  +0.00000
26     7  +1.07072 +0.985024 +0.172418 +0.000000 +3.141593 +19.92903 -19.59743  +0.00000
27     7  +0.13704 +0.931548 +0.363618 +0.000000 +3.141593 +19.66736 -20.18597  +0.00000
28     7  +0.24934 +0.980623 +0.195905 +0.000000 +3.141593 +20.05658 -19.92584  +0.00000
29     8  +1.26333 +0.981975 +0.189009 +0.000000 +3.141593 +19.37053 -20.29981  +0.00000
30     8  +1.25387 +0.999997 -0.002638 +0.000000 +3.141593 +19.40635 -19.75326  +0.00000
31     8  +0.72740 +0.000000 +0.000000 +1.000000 +0.628565 +19.57481 -20.91907  +0.00000
32     8  +1.35769 +0.000000 +0.000000 +1.000000 +0.572307 +19.22240 -20.42360  +0.00000
33     8  +0.13058 +0.000000 +0.000000 +1.000000 +0.668503 +19.61084 -20.68930  +0.00000
34     8  +0.73729 -0.000000 -0.000000 +1.000000 -2.566042 +19.54535 -20.76973  +0.00000
35     8  +1.58351 -0.217547 +0.976050 +0.000000 +3.141593 +19.81002 -20.50365  +0.00000
36     9  +0.68867 +0.974894 +0.222672 +0.000000 +3.141593 +17.99651 -21.37146  +0.00000
37     7  +0.76396 -0.000000 -0.000000 +1.000000 -2.387251 +19.94191 -20.56966  +0.00000
38     7  +0.73294 -0.165281 +0.986247 +0.000000 +3.141593 +19.31654 -20.16985  +0.00000
39     7  +0.19858 -0.322804 +0.946466 +0.000000 +3.141593 +20.41718 -20.37516  +0.00000
40     7  +0.12774 -0.000000 -0.000000 +1.000000 -2.616013 +20.02862 -20.19325  +0.00000
41     7  +0.73292 -0.389708 +0.920938 +0.000000 +3.141593 +19.82633 -19.85161  +0.00000
42     7  +0.76396 -0.000000 -0.000000 +1.000000 -2.387251 +19.94191 -20.56966  +0.00000
43     7  +0.25481 -0.293157 +0.956064 +0.000000 +3.141593 +20.39802 -20.19320  +0.00000
44     7  +0.73294 +0.000000 +0.000000 +1.000000 +0.883669 +19.73097 -20.57185  +0.00000
45     7  +0.76394 -0.408438 +0.912786 +0.000000 +3.141593 +20.18009 -19.89102  +0.00000
46     7  +0.11703 +0.989232 +0.146356 +0.000000 +3.141593 +19.29080 -20.87948  +0.00000
47     7  +0.71826 -0.384220 +0.923241 +0.000000 +3.141593 +19.71485 -19.83882  +0.00000
48     7  +0.12774 -0.000000 -0.000000 +1.000000 -2.147470 +19.59640 -20.61082  +0.00000
49     7  +0.76396 -0.000000 -0.000000 +1.000000 -2.387251 +19.94191 -20.56966  +0.00000
50     7  +1.35346 -0.000000 -0.000000 +1.000000 -2.499692 +19.93909 -20.28997  +0.00000
51     7  +0.76396 -0.000000 -0.000000 +1.000000 -2.387251 +19.94191 -20.56966  +0.00000
52     7  +0.71826 -0.000000 -0.000000 +1.000000 -2.352866 +19.71485 -19.83882  +0.00000
53     7  +0.72473 +0.949828 +0.312774 +0.000000 +3.141593 +19.87718 -20.18612  +0.00000
54     7  +0.13538 +0.000000 +0.000000 +1.000000 +0.608560 +19.72499 -20.83946  +0.00000
55     7  +0.71825 +0.000000 +0.000000 +1.000000 +0.410230 +19.84584 -20.32137  +0.00000
56     7  +0.81523 -0.000000 -0.000000 +1.000000 -2.320756 +20.22769 -20.45517  +0.00000
57     7  +0.13987 -0.027132 +0.999632 +0.000000 +3.141593 +19.43536 -20.31009  +0.00000
58     7  +0.73292 -0.389708 +0.920938 +0.000000 +3.141593 +19.82633 -19.85161  +0.00000
59     7  +0.38275 -0.000000 -0.000000 +1.000000 -1.760643 +19.34684 -19.66533  +0.00000
60     8  +0.69551 +0.876262 +0.481834 +0.000000 +3.141593 +19.37535 -20.78400  +0.00000
61     8  +1.13428 +0.747230 +0.664565 +0.000000 +3.141593 +19.27972 -20.19126  +0.00000
62     8  +1.26104 +0.000000 +0.000000 +1.000000 +1.048040 +19.74687 -21.18908  +0.00000
63     8  +0.72740 +0.954944 +0.296787 +0.000000 +3.141593 +19.62595 -20.36714  +0.00000
64     8  +0.72204 +0.970777 +0.239982 +0.000000 +3.141593 +19.41902 -20.15328  +0.00000
65     8  +1.06719 -0.206866 +0.978369 +0.000000 +3.141593 +19.51107 -19.62593  +0.00000
66     8  +0.13919 -0.078335 +0.996927 +0.000000 +3.141593 +19.31388 -20.92757  +0.00000
67     7  +0.14369 -0.000000 -0.000000 +1.000000 -0.097827 +19.63041 -20.50256  +0.00000
68     7  +0.73295 +0.963628 +0.267247 +0.000000 +3.141593 +19.45416 -19.86215  +0.00000
69     7  +0.75689 +0.000000 +0.000000 +1.000000 +0.724022 +19.82605 -20.78380  +0.00000
70     7  +0.75689 +0.000000 +0.000000 +1.000000 +0.724022 +19.82605 -20.78380  +0.00000
71     7  +0.12289 +0.000000 +0.000000 +1.000000 +0.525341 +19.27866 -21.18513  +0.00000
72     7  +0.73014 +0.966007 +0.258516 +0.000000 +3.141593 +19.43635 -20.69093  +0.00000
73     7  +0.71828 -0.140366 +0.990100 +0.000000 +3.141593 +19.09184 -19.91299  +0.00000
74     7  +0.73014 +0.966007 +0.258516 +0.000000 +3.141593 +19.43635 -20.69093  +0.00000
75     7  +0.14992 -0.259273 +0.965804 +0.000000 +3.141593 +19.63083 -20.39561  +0.00000
76     7  +0.13702 +0.960657 +0.277738 +0.000000 +3.141593 +19.27802 -19.84806  +0.00000
77     7  +0.90360 +0.000000 +0.000000 +1.000000 +1.039988 +20.34995 -20.23096  +0.00000
78     6  +0.18061 -0.000000 -0.000000 +1.000000 -2.310103 +19.95671 -20.12109  +0.00000
79     7  +0.14369 +0.048894 +0.998804 +0.000000 +3.141593 +19.63041 -20.50256  +0.00000
80     6  +0.81025 -0.000000 -0.000000 +1.000000 -2.648768 +20.13963 -20.35905  +0.00000
81     7  +0.14993 +0.000000 +0.000000 +1.000000 +0.264975 +19.63056 -20.09560  +0.00000
82     8  +0.67127 +0.002088 +0.999998 +0.000000 +3.141593 +19.14782 -20.61511  +0.00000
83     7  +1.53488 +0.840260 +0.542184 +0.000000 +3.141593 +20.26903 -20.81739  +0.00000
84     6  +0.81025 -0.000000 -0.000000 +1.000000 -2.648768 +20.13963 -20.35905  +0.00000
85     7  +0.13702 +0.000000 +0.000000 +1.000000 +0.262934 +19.66749 -20.07347  +0.00000
86     8  +0.69550 -0.201666 +0.979454 +0.000000 +3.141593 +17.89807 -20.66263  +0.00000
87     8  +0.69550 -0.201666 +0.979454 +0.000000 +3.141593 +17.89807 -20.66263  +0.00000
88     8  +0.69550 -0.201666 +0.979454 +0.000000 +3.141593 +17.89807 -20.66263  +0.00000
89     8  +0.69550 -0.201666 +0.979454 +0.000000 +3.141593 +17.89807 -20.66263  +0.00000
90     7  +1.40664 -0.201893 +0.979408 +0.000000 +3.141593 +20.11087 -20.27657  +0.00000
91     7  +1.40664 -0.201893 +0.979408 +0.000000 +3.141593 +20.11087 -20.27657  +0.00000
92     7  +0.15343 +0.000000 +0.000000 +1.000000 +0.117314 +19.87575 -20.29959  +0.00000
93     7  +1.32509 +0.923829 +0.382806 +0.000000 +3.141593 +19.77320 -20.22168  +0.00000
94     7  +0.12776 -0.073202 +0.997317 +0.000000 +3.141593 +19.25424 -20.09634  +0.00000
95     6  +0.10950 +0.260130 +0.965574 +0.000000 +3.141593 +19.04001 -20.68550  +0.00000
96     6  +0.87770 +0.000000 +0.000000 +1.000000 +0.315349 +19.26367 -19.92710  +0.00000
97     6  +0.09446 +1.000000 +0.000000 +0.000000 +0.000000 +19.06333 -20.34500  +0.00000
98     8  +0.13055 -0.000000 -0.000000 +1.000000 -2.873064 +20.57934 -20.15768  +0.00000
99     7  +1.17263 -0.000000 -0.000000 +1.000000 -1.761286 +19.36742 -20.07262  +0.00000
100    7  +1.17263 -0.000000 -0.000000 +1.000000 -1.761286 +19.36742 -20.07262  +0.00000
101    7  +1.17263 -0.000000 -0.000000 +1.000000 -1.761286 +19.36742 -20.07262  +0.00000
102    7  +0.71828 +0.929133 +0.369747 +0.000000 +3.141593 +18.90502 -19.88603  +0.00000
103    7  +1.17263 -0.000000 -0.000000 +1.000000 -1.761286 +19.36742 -20.07262  +0.00000
104    7  +0.42924 -0.638600 +0.769539 +0.000000 +3.141593 +19.58579 -20.14345  +0.00000
105    6  +0.12949 +0.989287 +0.145984 +0.000000 +3.141593 +19.30933 -20.86137  +0.00000
106    6  +0.14027 +0.368896 +0.929471 +0.000000 +3.141593 +19.08311 -20.36215  +0.00000
107    6  +0.10950 -0.000000 -0.000000 +1.000000 -0.296543 +19.32915 -20.51962  +0.00000
108    6  +0.12948 -0.000000 -0.000000 +1.000000 -1.048004 +19.59843 -20.36159  +0.00000
109    6  +0.29081 -0.068840 +0.997628 +0.000000 +3.141593 +19.65390 -19.86556  +0.00000
110    6  +0.10951 -0.000000 -0.000000 +1.000000 -0.291100 +19.32825 -20.58706  +0.00000
111    6  +0.12491 -0.000000 -0.000000 +1.000000 -2.615690 +20.04942 -20.18531  +0.00000
112    6  +0.09448 -0.000000 -0.000000 +1.000000 -0.293831 +19.35202 -20.55335  +0.00000
113    6  +0.20863 -0.000000 -0.000000 +1.000000 -2.243589 +19.77439 -20.57356  +0.00000
114    6  +0.64882 -0.394123 +0.919058 +0.000000 +3.141593 +19.49690 -20.16453  +0.00000
115    6  +0.14027 +0.368896 +0.929471 +0.000000 +3.141593 +19.08311 -20.36215  +0.00000
116    6  +0.29081 -0.068840 +0.997628 +0.000000 +3.141593 +19.65390 -19.86556  +0.00000
117    6  +0.20863 -0.000000 -0.000000 +1.000000 -2.489014 +19.97273 -20.30758  +0.00000
118    6  +0.09448 -0.000000 -0.000000 +1.000000 -1.808276 +19.35203 -19.38666  +0.00000
119    6  +1.05404 +0.048865 +0.998805 +0.000000 +3.141593 +20.00591 -19.35156  +0.00000
120    6  +0.11598 +0.989416 +0.145107 +0.000000 +3.141593 +19.28503 -20.85961  +0.00000
121    6  +0.14027 +0.368896 +0.929471 +0.000000 +3.141593 +19.08311 -20.36215  +0.00000
122    6  +0.11598 +0.989416 +0.145107 +0.000000 +3.141593 +19.28503 -20.85961  +0.00000
123    6  +0.64883 -0.000000 -0.000000 +1.000000 -2.221173 +19.58947 -19.81397  +0.00000
124    7  +0.12707 -0.000000 -0.000000 +1.000000 -0.190302 +20.43778 -20.51797  +0.00000
125    7  +0.12707 -0.000000 -0.000000 +1.000000 -0.190302 +20.43778 -20.51797  +0.00000
126    7  +0.12707 +0.995477 -0.095008 +0.000000 +3.141593 +20.43778 -20.51797  +0.00000
127    7  +0.73290 +0.000000 +0.000000 +1.000000 +0.702008 +19.47882 -20.49692  +0.00000
128    6  +1.11597 -0.383955 +0.923352 +0.000000 +3.141593 +19.95067 -19.99320  +0.00000
129    6  +0.82598 -0.541009 +0.841017 +0.000000 +3.141593 +20.30077 -20.69348  +0.00000
130    6  +0.42462 +0.932320 +0.361635 +0.000000 +3.141593 +20.36222 -20.13269  +0.00000
131    6  +0.13587 +0.000000 +0.000000 +1.000000 +0.592866 +19.51512 -20.59422  +0.00000
132    6  +0.10950 -0.000000 -0.000000 +1.000000 -0.526314 +19.29941 -20.83620  +0.00000
133    6  +0.81100 +0.880468 +0.474106 +0.000000 +3.141593 +19.74169 -20.25404  +0.00000
134    6  +0.12948 +0.000000 +0.000000 +1.000000 +3.140788 +19.02077 -20.69448  +0.00000
135    7  +1.04219 +0.819501 +0.573078 +0.000000 +3.141593 +19.65489 -20.22868  +0.00000
136    5  +0.33437 -0.000000 -0.000000 +1.000000 -2.856646 +20.29860 -19.73426  +0.00000
137    5  +0.23451 -0.000000 -0.000000 +1.000000 -2.235020 +19.92058 -20.34332  +0.00000
138    5  +0.70518 -0.374192 +0.927351 +0.000000 +3.141593 +19.86329 -20.29164  +0.00000
139    6  +0.13635 +0.000000 +0.000000 +1.000000 +0.117924 +19.84097 -20.29279  +0.00000
140    5  +0.12152 +0.257179 +0.966364 +0.000000 +3.141593 +19.04568 -20.71088  +0.00000
141    6  +0.76342 +0.000000 +0.000000 +1.000000 +2.718870 +20.04845 -20.62554  +0.00000
142    6  +1.14659 +0.000000 +0.000000 +1.000000 +0.048067 +20.05604 -20.66124  +0.00000
143    6  +1.24629 +0.000000 +0.000000 +1.000000 +2.451187 +19.39591 -20.13255  +0.00000
144    6  +0.76342 +0.000000 +0.000000 +1.000000 +2.718870 +20.04845 -20.62554  +0.00000
145    5  +0.11136 +0.368334 +0.929694 +0.000000 +3.141593 +19.04734 -20.33638  +0.00000
146    5  +0.11136 +0.368334 +0.929694 +0.000000 +3.141593 +19.04734 -20.33638  +0.00000
147    5  +0.11136 +0.368334 +0.929694 +0.000000 +3.141593 +19.04734 -20.33638  +0.00000
148    5  +0.11136 +0.368334 +0.929694 +0.000000 +3.141593 +19.04734 -20.33638  +0.00000
149    5  +0.11136 +0.368334 +0.929694 +0.000000 +3.141593 +19.04734 -20.33638  +0.00000
150    5  +1.09250 -0.000000 -0.000000 +1.000000 -0.256798 +20.43090 -20.71062  +0.00000