* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    151    229     439
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02045   104.00876     7.75509
    3     1 S   H    _H1_     3     1.02134    43.47573   110.28335
    4     1 S   H    _H2_     4     1.02146    69.69801   -97.37835
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08638   110.54412    58.84088
   26    24 S   HC   HB22    34     1.08641   109.88695   179.05581
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C20    36     1.82219    98.12740   -78.13280
   34    33 S   HC   _H17    37     1.09459   107.17648   -60.00541
   35    33 S   HC   _H18    38     1.09251   107.07741    56.47022
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CT   _C19    39     1.53164   111.21450   178.37093
   40    39 S   HC   _H5_    40     1.09517   110.68470  -176.94649
   41    39 S   CT   _C18    41     1.54199   113.32842    59.27414
   42    41 S   HC   _H4_    42     1.09703   109.83703   -59.97021
   43    39 S   OS   _O35    79     1.43285   108.11206   -60.11549
   44    41 S   CT   _C17    43     1.53785   115.30057   175.50617
   45    44 S   HC   _H3_    44     1.09666   109.68241  -171.39460
   46    41 S   OH   _O38    77     1.43474   108.98109    54.99334
   47    46 S   HO   _H21    78     0.96664   105.99482  -174.65694
   48    43 S   P1   _P1_    80     1.61851   117.78485   -80.00311
   49    48 S   O2Z  _O36    81     1.50664   111.40096   173.57633
   50    48 S   HP   _H19    82     1.41180   104.09347    40.02908
   51    44 S   CT   _C16    45     1.53015   115.71101    64.59511
   52    51 S   HC   _H15    46     1.09481   110.66771    39.99087
   53    51 S   HC   _H16    47     1.09511   109.95586   -78.51302
   54    44 S   OH   _O39    75     1.43392   107.40209   -56.97275
   55    54 S   HO   _H22    76     0.96709   106.05858  -174.09525
   56    48 S   OS   _O37    83     1.62576   101.77690   -67.48747
   57    56 S   HO   _H20    84     0.98088   118.63632  -178.83584
   58    51 S   NE   _N4_    48     1.46192   111.32710   161.83995
   59    58 S   CA   _C8_    49     1.41165   118.17391   -77.65677
   60    58 S   CDX  _C12    59     1.39066   121.64541   102.34672
   61    59 S   CA   _C9_    50     1.40741   123.59700     0.00000
   62    61 S   HA   _H10    51     1.08829   120.81021    -0.03956
   63    60 S   NI   _N5_    60     1.29983   124.93333    -0.04846
   64    61 S   CA   _C10    52     1.39676   121.42376   179.95577
   65    63 S   C    _C13    61     1.37917   123.51352  -180.00000
   66    65 S   O    _O33    62     1.23265   121.18184  -179.86878
   67    64 S   CA   _C5_    53     1.38831   120.08482     0.02798
   68    65 S   N    _N6_    63     1.39482   119.59693     0.02798
   69    68 S   H    _H14    64     1.01659   116.87862  -179.93744
   70    64 S   CT   _C11    71     1.49339   119.03815   179.96044
   71    70 S   HC   _H11    72     1.09616   110.26605    90.06636
   72    70 S   HC   _H12    73     1.09695   111.24499  -149.48260
   73    70 S   HC   _H13    74     1.09724   111.16905   -30.46141
   74    67 S   CA   _C6_    54     1.39121   119.59214    -0.01978
   75    74 S   HA   _H9_    55     1.08835   119.72169  -179.97202
   76    84 S   C    _C14    65     1.49348   116.65987  -180.00000
   77    76 S   O    _O34    66     1.21919   120.63489    -0.09279
   78    67 S   CT   _C4_    67     1.49310   121.21666   179.93744
   79    78 S   HC   _H6_    68     1.09638   110.32892   -89.98618
   80    78 S   HC   _H7_    69     1.09760   111.12747    30.54849
   81    78 S   HC   _H8_    70     1.09733   111.20150   149.46712
   82    59 S   CA   _C7_    56     1.41005   118.53169   179.98022
   83    82 S   NI   _N7_    57     1.40400   122.21133    -0.00000
   84    83 S   CD   _C15    58     1.29321   119.64294     0.04846
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  10   5   4   2   1   1  14   6  13   7   7  11   7   3   1   4
   3   2  11   5   4   2   1   1   1  12  12  10  11   4   7  12
   6   3  12   5   3   5   2   1   1   8   3   4   2   4   2   1
   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    44    46    43    48  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    44    45    51    54    46    47    43    48    49    50    56  
   41    42    44    46    43    48  
   42    44    45    51    52    53    58    54    55    46    47    43    48  
   44    45    51    54    46    47    43  
   48    49    50    56    57    44    46  
   45    51    52    53    58    59    60    54    55    46    47  
   51    52    53    58    54    55    46  
   47    51    54  
    0  
   49    50    56    57  
   50    56    57  
   56    57  
   52    53    58    59    61    82    84    60    63    54    55  
   53    58    59    60    54  
   58    59    60    54  
   55    58  
    0  
   57  
    0  
   59    61    62    64    74    82    83    84    60    63    65    76  
   61    62    64    67    74    75    82    83    84    60    63    70  
   63    65    66    68    76    77    61    82    83    84  
   62    64    67    74    82    83    78    70    71    72    73  
   64    67    82    70  
   65    66    68    69    76    83    84  
   67    74    75    82    78    79    80    81    70    71    72    73  
   66    68    69    76    77    84  
   68    69    76  
   74    75    82    83    78    79    80    81    70    71    72    73  
   69    76    77    83    84  
   76    77    84  
   71    72    73    74    78  
   72    73  
   73  
    0  
   75    82    83    84    78    79    80    81  
   82    83    78  
   77    82    83    84  
   83    84  
   79    80    81    82  
   80    81  
   81  
    0  
   83    84  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.212900   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.8500   0.1400  -0.461100   1.5900   1.4000   0.020110767  -0.896042159
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.7400   0.2000   1.099000   2.1070   1.8700   0.005000000   0.000000000
   49   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   50   2.5000   0.0300  -0.056500   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.2500   0.1700  -0.197700   1.9050   1.6860   0.051222218  -2.220205820
   59   3.5500   0.0700   0.100200   2.5000   1.7750   0.001000000  -0.843144165
   60   3.7500   0.1050   0.334000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.2800   0.1700  -0.481500   1.8540   1.6400   0.005000000   0.000000000
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.7500   0.1050   0.753000   1.9250   1.7000   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.2500   0.1700  -0.536200   1.8100   1.6000   0.054801302  -1.445846770
   69   0.5000   0.0300   0.291200   1.5900   1.4000   0.030040813  -0.651083722
   70   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.7500   0.1050   0.630500   1.9250   1.7000   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   78   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0700   0.078800   2.5000   1.7750   0.001000000  -0.843144165
   83   3.2800   0.1700  -0.468500   1.8540   1.6400   0.005000000   0.000000000
   84   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    43   320.000  1.410
   41    42   340.000  1.090
   41    44   268.000  1.529
   41    46   320.000  1.410
   44    45   340.000  1.090
   44    51   268.000  1.529
   44    54   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    58   382.000  1.448
   58    59   481.000  1.340
   58    60   445.000  1.380
   59    61   469.000  1.400
   59    82   469.000  1.400
   61    62   367.000  1.080
   61    64   469.000  1.400
   64    67   469.000  1.400
   64    70   317.000  1.510
   67    74   469.000  1.400
   67    78   317.000  1.510
   74    75   367.000  1.080
   74    82   469.000  1.400
   82    83   400.000  1.385
   83    84   500.000  1.261
   84    60   270.000  1.479
   84    76   270.000  1.486
   60    63   650.000  1.285
   63    65   415.000  1.368
   65    66   570.000  1.229
   65    68   490.000  1.335
   68    69   434.000  1.010
   68    76   490.000  1.335
   76    77   570.000  1.229
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   54    55   553.000  0.945
   46    47   553.000  0.945
   43    48   405.000  1.623
   48    49   675.000  1.490
   48    50   225.000  1.411
   48    56   405.000  1.623
   56    57   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    43    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    44    58.35000  112.70000
   39    41    46    50.00000  109.50000
   39    43    48    75.00000  119.24600
   41    39    40    37.50000  110.70000
   41    44    45    37.50000  110.70000
   41    44    51    58.35000  112.70000
   41    44    54    50.00000  109.50000
   41    46    47    55.00000  108.50000
   44    41    42    37.50000  110.70000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    58    80.00000  111.61500
   44    54    55    55.00000  108.50000
   51    44    45    37.50000  110.70000
   51    58    59    50.00000  120.00000
   51    58    60    50.00000  119.50000
   53    51    52    33.00000  107.80000
   58    51    52    35.00000  109.50000
   58    51    53    35.00000  109.50000
   58    59    61    70.00000  120.10000
   58    59    82    70.00000  120.10000
   58    60    84    75.00000  117.28700
   58    60    63    75.00000  124.36500
   59    61    62    35.00000  120.00000
   59    61    64    63.00000  120.00000
   59    82    74    63.00000  120.00000
   59    82    83    70.00000  120.44500
   61    64    67    63.00000  120.00000
   61    64    70    70.00000  120.00000
   64    61    62    35.00000  120.00000
   64    67    74    63.00000  120.00000
   64    67    78    70.00000  120.00000
   64    70    71    35.00000  109.50000
   64    70    72    35.00000  109.50000
   64    70    73    35.00000  109.50000
   67    74    75    35.00000  120.00000
   67    74    82    63.00000  120.00000
   67    78    79    35.00000  109.50000
   67    78    80    35.00000  109.50000
   67    78    81    35.00000  109.50000
   74    82    83    70.00000  120.44500
   82    59    61    63.00000  120.00000
   82    74    75    35.00000  120.00000
   82    83    84    70.00000  113.96500
   83    84    60    65.00000  122.46400
   83    84    76    65.00000  123.79500
   84    60    63    65.00000  122.46400
   84    76    68    75.00000  109.57000
   84    76    77    80.00000  120.45000
   60    58    59    50.00000  129.40000
   60    63    65    75.00000  109.13600
   63    65    66    80.00000  126.08800
   63    65    68    90.00000  112.94000
   65    68    69    35.00000  119.80000
   65    68    76    70.00000  121.37400
   68    65    66    80.00000  122.90000
   68    76    77    80.00000  122.90000
   76    84    60    70.00000  118.70000
   76    68    69    35.00000  119.80000
   78    67    74    70.00000  120.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   70    64    67    70.00000  120.00000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   54    44    45    35.00000  109.50000
   54    44    51    50.00000  109.50000
   46    41    42    35.00000  109.50000
   46    41    44    50.00000  109.50000
   43    39    40    35.00000  109.50000
   43    39    41    50.00000  109.50000
   43    48    49   100.00000  115.86100
   43    48    50    60.00000  100.09000
   43    48    56   120.00000  102.38000
   48    56    57    50.00000  113.86100
   50    48    49    50.00000  114.77800
   56    48    49   100.00000  115.86100
   56    48    50    60.00000  100.09000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    44   0.56750  1.0 1.0
   33    39    41    44  -0.07550 -1.0 2.0
   33    39    41    44   0.20000  1.0 3.0
   33    39    41    46   0.86500  1.0 1.0
   33    39    41    46  -0.17500 -1.0 2.0
   33    39    41    46   0.20800  1.0 3.0
   33    39    43    48  -2.65550  1.0 1.0
   33    39    43    48  -0.22350 -1.0 2.0
   33    39    43    48   0.24150  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    43   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    43   0.23400  1.0 3.0
   39    41    44    45   0.15000  1.0 3.0
   39    41    44    51   0.56750  1.0 1.0
   39    41    44    51  -0.07550 -1.0 2.0
   39    41    44    51   0.20000  1.0 3.0
   39    41    44    54   0.86500  1.0 1.0
   39    41    44    54  -0.17500 -1.0 2.0
   39    41    44    54   0.20800  1.0 3.0
   39    41    46    47  -0.11600  1.0 1.0
   39    41    46    47  -0.09450 -1.0 2.0
   39    41    46    47   0.21250  1.0 3.0
   39    43    48    49   0.00000  1.0 1.0
   39    43    48    50   0.15000  1.0 3.0
   39    43    48    56   0.91800  1.0 1.0
   39    43    48    56   0.22900 -1.0 2.0
   39    43    48    56   0.32050  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    44   0.15000  1.0 3.0
   40    39    41    46   0.23400  1.0 3.0
   40    39    43    48   0.03000  1.0 3.0
   41    39    43    48  -2.65550  1.0 1.0
   41    39    43    48  -0.22350 -1.0 2.0
   41    39    43    48   0.24150  1.0 3.0
   41    44    51    52   0.15000  1.0 3.0
   41    44    51    53   0.15000  1.0 3.0
   41    44    51    58   1.26750  1.0 1.0
   41    44    51    58  -0.00950 -1.0 2.0
   41    44    51    58   0.30600  1.0 3.0
   41    44    54    55  -0.11600  1.0 1.0
   41    44    54    55  -0.09450 -1.0 2.0
   41    44    54    55   0.21250  1.0 3.0
   42    41    44    45   0.15000  1.0 3.0
   42    41    44    51   0.15000  1.0 3.0
   42    41    44    54   0.23400  1.0 3.0
   42    41    46    47   0.19450  1.0 3.0
   44    41    46    47  -0.11600  1.0 1.0
   44    41    46    47  -0.09450 -1.0 2.0
   44    41    46    47   0.21250  1.0 3.0
   44    51    58    59  -0.12500  1.0 1.0
   44    51    58    59  -0.12500 -1.0 2.0
   44    51    58    59   0.25000  1.0 3.0
   44    51    58    60   0.38950  1.0 1.0
   44    51    58    60  -0.47050 -1.0 2.0
   44    51    58    60   0.83150  1.0 3.0
   45    44    51    52   0.15000  1.0 3.0
   45    44    51    53   0.15000  1.0 3.0
   45    44    51    58   0.22950  1.0 3.0
   45    44    54    55   0.19450  1.0 3.0
   51    44    54    55  -0.11600  1.0 1.0
   51    44    54    55  -0.09450 -1.0 2.0
   51    44    54    55   0.21250  1.0 3.0
   51    58    59    61  -1.00000  1.0 1.0
   51    58    59    61   1.25000 -1.0 2.0
   51    58    59    82  -1.00000  1.0 1.0
   51    58    59    82   1.25000 -1.0 2.0
   51    58    60    84  -0.54700  1.0 1.0
   51    58    60    84   1.23000 -1.0 2.0
   51    58    60    63  -0.86000  1.0 1.0
   51    58    60    63   0.84650 -1.0 2.0
   52    51    58    59   0.00000  1.0 1.0
   52    51    58    60   0.00000  1.0 1.0
   53    51    58    59   0.00000  1.0 1.0
   53    51    58    60   0.00000  1.0 1.0
   58    59    61    62   3.62500 -1.0 2.0
   58    59    61    64   3.62500 -1.0 2.0
   58    59    82    74   3.62500 -1.0 2.0
   58    59    82    83   3.62500 -1.0 2.0
   58    60    63    65   6.00000 -1.0 2.0
   59    58    60    84  -0.54500  1.0 1.0
   59    58    60    84   1.14150 -1.0 2.0
   59    58    60    63  -1.45100  1.0 1.0
   59    58    60    63   1.83200 -1.0 2.0
   59    61    64    67   3.62500 -1.0 2.0
   59    61    64    70   3.62500 -1.0 2.0
   59    82   -83    84   1.25000 -1.0 2.0
   61    59    82    74   3.62500 -1.0 2.0
   61    59    82    83   3.62500 -1.0 2.0
   61    64   -67    74   3.62500 -1.0 2.0
   61    64    67    78   3.62500 -1.0 2.0
   61    64    70    71   0.00000  1.0 1.0
   61    64    70    72   0.00000  1.0 1.0
   61    64    70    73   0.00000  1.0 1.0
   62    61    64    67   3.62500 -1.0 2.0
   62    61    64    70   3.62500 -1.0 2.0
   64    67    74    75   3.62500 -1.0 2.0
   64    67    74    82   3.62500 -1.0 2.0
   64    67    78    79   0.00000  1.0 1.0
   64    67    78    80   0.00000  1.0 1.0
   64    67    78    81   0.00000  1.0 1.0
   67    64    70    71   0.00000  1.0 1.0
   67    64    70    72   0.00000  1.0 1.0
   67    64    70    73   0.00000  1.0 1.0
   67    74   -82    59   3.62500 -1.0 2.0
   67    74    82    83   3.62500 -1.0 2.0
   74    67    78    79   0.00000  1.0 1.0
   74    67    78    80   0.00000  1.0 1.0
   74    67    78    81   0.00000  1.0 1.0
   74    82    83    84   1.25000 -1.0 2.0
   75    74    82    59   3.62500 -1.0 2.0
   75    74    82    83   3.62500 -1.0 2.0
   82    59    61    62   3.62500 -1.0 2.0
   82    59   -61    64   3.62500 -1.0 2.0
   82    83    84    60   6.00000 -1.0 2.0
   82    83    84    76   6.00000 -1.0 2.0
   83    84   -60    58   7.00000 -1.0 2.0
   83    84    60    63   7.00000 -1.0 2.0
   83    84    76    68   1.50000 -1.0 2.0
   83    84    76    77   1.00000 -1.0 2.0
   84    60    63    65   6.00000 -1.0 2.0
   60    58    59    61  -0.02750  1.0 1.0
   60    58    59    61   0.06100 -1.0 2.0
   60    58   -59    82  -0.02750  1.0 1.0
   60    58   -59    82   0.06100 -1.0 2.0
   60    84    76    68   1.50000 -1.0 2.0
   60    84    76    77   1.00000 -1.0 2.0
   60    63    65    66   3.09300 -1.0 2.0
   60    63   -65    68  -5.73250  1.0 1.0
   60    63   -65    68   0.67550 -1.0 2.0
   63    65    68    69   2.56700 -1.0 2.0
   63    65    68    76   2.00000 -1.0 2.0
   65    68   -76    84   2.45000 -1.0 2.0
   65    68    76    77   2.22250 -1.0 2.0
   66    65    68    69   2.45000 -1.0 2.0
   66    65    68    76   2.22250 -1.0 2.0
   69    68    76    84   2.56700 -1.0 2.0
   69    68    76    77   2.45000 -1.0 2.0
   76    84    60    58   7.00000 -1.0 2.0
   76    84   -60    63   7.00000 -1.0 2.0
   78    67    74    75   3.62500 -1.0 2.0
   78    67    74    82   3.62500 -1.0 2.0
   70    64    67    74   3.62500 -1.0 2.0
   70    64    67    78   3.62500 -1.0 2.0
   54    44    51    52   0.23400  1.0 3.0
   54    44    51    53   0.23400  1.0 3.0
   54    44    51    58   4.07950  1.0 1.0
   54    44    51    58  -0.26450 -1.0 2.0
   54    44    51    58  -0.12150  1.0 3.0
   46    41    44    45   0.23400  1.0 3.0
   46    41    44    51   0.86500  1.0 1.0
   46    41    44    51  -0.17500 -1.0 2.0
   46    41    44    51   0.20800  1.0 3.0
   46    41    44    54   3.75450  1.0 1.0
   43    39    41    42   0.23400  1.0 3.0
   43    39    41    44   0.62750  1.0 1.0
   43    39    41    44  -0.30950 -1.0 2.0
   43    39    41    44   0.27300  1.0 3.0
   43    39    41    46   3.69350  1.0 1.0
   43    39    41    46  -1.82950 -1.0 2.0
   43    48    56    57  -0.22900  1.0 1.0
   43    48    56    57   0.09450 -1.0 2.0
   43    48    56    57  -0.07800  1.0 3.0
   49    48    56    57   0.00000  1.0 1.0
   50    48    56    57   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   59    60    58    51   1.00000 -1.0 2.0
   61    82    59    58   4.00000 -1.0 2.0
   64    62    61    59   1.10000 -1.0 2.0
   67    70    64    61   4.00000 -1.0 2.0
   74    78    67    64   4.00000 -1.0 2.0
   82    75    74    67   1.10000 -1.0 2.0
   74    83    82    59   4.00000 -1.0 2.0
   60    76    84    83  10.50000 -1.0 2.0
   58    84    60    63  10.50000 -1.0 2.0
   63    68    65    66  10.50000 -1.0 2.0
   69    65    68    76   1.00000 -1.0 2.0
   84    68    76    77  10.50000 -1.0 2.0
END
