* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    141    229     424
    1     0 S   NP   _N1_     1    28.97116    93.03392   -21.91983
    2     1 S   H    _HN1     2     1.02777    87.09675  -108.83352
    3     1 S   H    _H1_     3     1.03081   100.90196    -0.93335
    4     1 S   H    _H2_     4     1.02825    25.57480   106.06121
    5     1 S   CT   _CA1     5     1.50288   134.48495   132.43530
    6     5 S   HC   _HA1     6     1.09551   105.37997    49.30644
    7     5 S   CO3  _C1_     7     1.53976   112.26440   -71.04622
    8     7 S   O2Z  _O11     8     1.26432   115.17947   -41.54478
    9     7 S   O2Z  _O12     9     1.26238   114.88069   137.62616
   10     5 S   CT   _CB1    10     1.52936   107.00061   167.29028
   11    10 S   HC   HB11    11     1.09832   109.70074   -49.87009
   12    10 S   HC   HB12    12     1.09443   109.57535    66.23690
   13    10 S   CT   _CG1    13     1.52926   113.80172  -171.61047
   14    13 S   HC   HG11    14     1.09558   110.66066   -55.34975
   15    13 S   HC   HG12    15     1.09585   110.18919    64.26115
   16    13 S   C    _CD1    16     1.51893   111.56554  -175.01167
   17    16 S   O    _OE1    17     1.22753   123.24480    -3.97941
   18    16 S   N    _N2_    18     1.38499   112.06850   175.60159
   19    18 S   H    _HN2    19     1.01573   119.15848     5.40320
   20    18 S   CT1  _CA2    20     1.46191   123.12006  -174.97110
   21    20 S   HC   _HA2    21     1.09629   109.19188     6.45753
   22    20 S   C    _C2_    22     1.53429   109.23089  -109.32507
   23    22 S   O    _O2_    23     1.23057   122.05898  -143.35738
   24    20 S   CT   _CB2    32     1.53376   111.37455   127.97830
   25    24 S   HC   HB21    33     1.09660   109.57531    64.81032
   26    24 S   HC   HB22    34     1.09563   111.07609  -177.71964
   27    22 S   N    _N3_    24     1.38445   113.69764    43.97380
   28    27 S   H    _HN3    25     1.01464   119.14960     0.24629
   29    24 S   S    _SG2    35     1.82730   114.06215   -54.35046
   30    27 S   CT   _CA3    26     1.45452   123.25475   175.24869
   31    30 S   HC   HA31    27     1.09533   109.08101    27.79328
   32    30 S   HC   HA32    28     1.09491   107.16027   144.77256
   33    29 S   CT   _C18    36     1.83123   100.22763   -73.19499
   34    33 S   HC   _H3_    37     1.09580   107.52636   -57.40017
   35    33 S   HC   _H4_    38     1.09266   109.19649    58.29510
   36    30 S   CO3  _C3_    29     1.52939   113.21941   -95.57508
   37    36 S   O2Z  _O31    30     1.26395   115.44913   -43.61452
   38    36 S   O2Z  _O32    31     1.26365   114.95530   137.33089
   39    33 S   CT   _C10    39     1.54860   113.24530  -178.63714
   40    39 S   HC   _H27    40     1.09854   106.82722   178.41464
   41    39 S   CO4  _C6_    41     1.53379   109.56212    64.63680
   42    41 S   O    _O16    42     1.23150   122.16107    37.46668
   43    41 S   CM   _C4_    43     1.48140   119.50365  -144.90816
   44    43 S   HC   _H21    44     1.08386   117.69389   174.75667
   45    43 S   CM   _C5_    45     1.33668   120.79502    -8.20442
   46    45 S   HC   _H22    46     1.08811   118.06614  -176.40719
   47    45 S   CT   _C14    47     1.51486   124.15458     1.36602
   48    47 S   CT   _C9_    48     1.54680   109.09359   146.49338
   49    48 S   HC   _H25    49     1.09830   109.73466    65.59154
   50    48 S   HC   _H26    50     1.09945   108.62634   -50.43961
   51    47 S   CT   _C16    70     1.54392   106.31282   -94.27905
   52    51 S   HC   _H31    71     1.09207   113.11063   178.64174
   53    51 S   HC   _H32    72     1.09600   111.86572    57.83985
   54    51 S   HC   _H33    73     1.09724   110.86429   -61.36809
   55    48 S   CT   _C13    51     1.52813   115.02921  -170.88738
   56    55 S   HC   _H30    52     1.09823   107.20833   165.62720
   57    55 S   CT   _C12    53     1.52532   116.57458    41.36365
   58    57 S   HC   _H29    54     1.09658   108.56106    83.03055
   59    57 S   CT   _C8_    55     1.53982   113.81733   -36.57456
   60    59 S   HC   _H23    56     1.09475   111.38941   -77.20009
   61    59 S   HC   _H24    57     1.09463   107.31096   167.29679
   62    57 S   CT   _C15    60     1.53768   101.04572  -159.54632
   63    39 S   CT   _C11    58     1.55239   114.45922   -61.77452
   64    63 S   HC   _H28    59     1.10011   107.43537    55.78384
   65    62 S   CO4  _C7_    61     1.51716   102.11000    30.29380
   66    65 S   O    _O17    62     1.22159   126.19430   164.90577
   67    62 S   CT   _C17    64     1.52216   116.77617   152.05793
   68    67 S   HC   _H34    65     1.09383   111.04854    56.50767
   69    67 S   HC   _H35    66     1.09413   112.73235   -65.85307
   70    67 S   HC   _H36    67     1.09681   110.57562   174.27221
   71    62 S   OH   _O19    68     1.42572   111.43745   -83.89989
   72    71 S   HO   _H39    69     0.97379   109.46278    30.21037
   73    55 S   OS   _O18    63     1.43224   111.41352   -78.78649
  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
  11   5   4   2   1   1  15   7   9   4   7   3  13   4  16  16
   7   6   7   3   2   1  13   6  16   9   9   4   3  10   1   1
   8   3   6   3   2   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    63  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    47    59    63    64  
   35    39    40    41    63  
   39    40    41    63  
   37    38  
   38  
    0  
   40    41    42    43    44    45    47    48    57    59    60    61    63    64    51  
   41    42    43    47    59    63    64  
   42    43    44    45    46    47    59    63    64  
   43    44    45    63  
   44    45    46    47    48    63    51  
   45    46    47  
   46    47    48    49    50    55    59    63    64    51    52    53    54  
   47    48    63    51  
   48    49    50    55    56    57    59    60    61    63    64    73    51    52    53    54  
   49    50    55    56    57    58    59    63    64    62    65    73    51    52    53    54  
   50    55    56    57    63    73    51  
   55    56    57    63    73    51  
   52    53    54    55    59    63    64  
   53    54    63  
   54    63  
   63  
   56    57    58    59    60    61    63    62    65    66    73    67    71  
   57    58    59    62    65    73  
   58    59    60    61    63    64    62    65    66    73    67    68    69    70    71    72  
   59    60    61    63    62    65    73    67    71  
   60    61    63    64    62    65    73    67    71  
   61    63    64    62  
   63    64    62  
   65    66    73    67    68    69    70    71    72    63  
   64  
    0  
   66    73    67    68    69    70    71    72  
   73    67    71  
   68    69    70    71    72    73  
   69    70    71  
   70    71  
   71  
   72    73  
    0  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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   317.000  1.522
   39    63   268.000  1.529
   41    42   570.000  1.229
   41    43   320.000  1.462
   43    44   340.000  1.080
   43    45   549.000  1.340
   45    46   340.000  1.080
   45    47   317.000  1.510
   47    48   268.000  1.529
   47    63   268.000  1.529
   47    51   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    55   268.000  1.529
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    73   320.000  1.410
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    62   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    63   268.000  1.529
   63    64   340.000  1.090
   62    65   317.000  1.522
   62    67   268.000  1.529
   62    71   320.000  1.410
   65    66   570.000  1.229
   65    73   214.000  1.327
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   71    72   553.000  0.945
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
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    63.00000  111.10000
   33    39    63    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    65.00000  118.62400
   39    63    47    58.35000  112.70000
   39    63    59    58.35000  112.70000
   39    63    64    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    40.00000  117.72500
   41    43    45    65.00000  118.96000
   43    41    42    80.00000  123.72100
   43    45    46    35.00000  120.00000
   43    45    47    70.00000  124.00000
   45    43    44    35.00000  120.00000
   45    47    48    70.00000  112.02700
   45    47    63    70.00000  112.02700
   45    47    51    70.00000  112.02700
   47    45    46    35.00000  117.00000
   47    48    49    37.50000  110.70000
   47    48    50    37.50000  110.70000
   47    48    55    58.35000  112.70000
   47    63    59    58.35000  112.70000
   47    63    64    37.50000  110.70000
   47    51    52    37.50000  110.70000
   47    51    53    37.50000  110.70000
   47    51    54    37.50000  110.70000
   48    55    56    37.50000  110.70000
   48    55    57    58.35000  112.70000
   48    55    73    50.00000  109.50000
   50    48    49    33.00000  107.80000
   55    48    49    37.50000  110.70000
   55    48    50    37.50000  110.70000
   55    57    58    37.50000  110.70000
   55    57    59    58.35000  112.70000
   55    57    62    58.35000  112.70000
   55    73    65    83.00000  116.90000
   57    55    56    37.50000  110.70000
   57    59    60    37.50000  110.70000
   57    59    61    37.50000  110.70000
   57    59    63    58.35000  112.70000
   57    62    65    63.00000  111.10000
   57    62    67    58.35000  112.70000
   57    62    71    50.00000  109.50000
   59    57    58    37.50000  110.70000
   59    63    64    37.50000  110.70000
   61    59    60    33.00000  107.80000
   63    39    40    37.50000  110.70000
   63    39    41    63.00000  111.10000
   63    47    48    58.35000  112.70000
   63    59    60    37.50000  110.70000
   63    59    61    37.50000  110.70000
   62    57    58    37.50000  110.70000
   62    57    59    58.35000  112.70000
   62    65    66    80.00000  120.40000
   62    65    73    81.00000  111.40000
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    70    37.50000  110.70000
   62    71    72    55.00000  108.50000
   73    55    56    35.00000  109.50000
   73    55    57    50.00000  109.50000
   73    65    66    83.00000  123.40000
   67    62    65    63.00000  111.10000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   71    62    65    90.00000  109.61100
   71    62    67    50.00000  109.50000
   51    47    48    58.35000  112.70000
   51    47    63    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
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   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    63   0.44750  1.0 1.0
   29    33    39    63  -0.17800 -1.0 2.0
   29    33    39    63   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.65300  1.0 1.0
   33    39    41    43  -0.03850 -1.0 2.0
   33    39    41    43   0.33900  1.0 3.0
   33    39    63    47   0.56750  1.0 1.0
   33    39    63    47  -0.07550 -1.0 2.0
   33    39    63    47   0.20000  1.0 3.0
   33    39    63    59   0.56750  1.0 1.0
   33    39    63    59  -0.07550 -1.0 2.0
   33    39    63    59   0.20000  1.0 3.0
   33    39    63    64   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    63   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    63   0.15000  1.0 3.0
   39    41    43    44   0.04550  1.0 1.0
   39    41    43    44   0.83000 -1.0 2.0
   39    41    43    44  -0.04000  1.0 3.0
   39    41    43    45  -0.33500  1.0 1.0
   39    41    43    45   1.06600 -1.0 2.0
   39    41    43    45  -0.14000  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    63    47   0.15000  1.0 3.0
   40    39    63    59   0.15000  1.0 3.0
   40    39    63    64   0.15000  1.0 3.0
   41    39    63    47  -0.95700  1.0 1.0
   41    39    63    47  -0.18200 -1.0 2.0
   41    39    63    47   0.29450  1.0 3.0
   41    39    63    59  -0.95700  1.0 1.0
   41    39    63    59  -0.18200 -1.0 2.0
   41    39    63    59   0.29450  1.0 3.0
   41    39    63    64  -0.11250  1.0 3.0
   41    43    45    46   7.00000 -1.0 2.0
   41    43   -45    47   7.00000 -1.0 2.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   1.00000 -1.0 2.0
   43    45    47    48   0.09850  1.0 1.0
   43    45    47    48   0.15250 -1.0 2.0
   43    45    47    48  -0.50650  1.0 3.0
   43    45    47    63   0.09850  1.0 1.0
   43    45    47    63   0.15250 -1.0 2.0
   43    45    47    63  -0.50650  1.0 3.0
   43    45    47    51   0.09850  1.0 1.0
   43    45    47    51   0.15250 -1.0 2.0
   43    45    47    51  -0.50650  1.0 3.0
   44    43    45    46   7.00000 -1.0 2.0
   44    43    45    47   7.00000 -1.0 2.0
   45    47    48    49   0.15000  1.0 3.0
   45    47    48    50   0.15000  1.0 3.0
   45    47    48    55   0.34400  1.0 1.0
   45    47    48    55   0.09450 -1.0 2.0
   45    47    48    55   0.11100  1.0 3.0
   45    47   -63    39   0.34400  1.0 1.0
   45    47   -63    39   0.09450 -1.0 2.0
   45    47   -63    39   0.11100  1.0 3.0
   45    47    63    59   0.34400  1.0 1.0
   45    47    63    59   0.09450 -1.0 2.0
   45    47    63    59   0.11100  1.0 3.0
   45    47    63    64   0.15000  1.0 3.0
   45    47    51    52   0.15000  1.0 3.0
   45    47    51    53   0.15000  1.0 3.0
   45    47    51    54   0.15000  1.0 3.0
   46    45    47    48   0.00000  1.0 1.0
   46    45    47    63   0.00000  1.0 1.0
   46    45    47    51   0.00000  1.0 1.0
   47    48    55    56   0.15000  1.0 3.0
   47    48    55    57   0.56750  1.0 1.0
   47    48    55    57  -0.07550 -1.0 2.0
   47    48    55    57   0.20000  1.0 3.0
   47    48    55    73   0.62750  1.0 1.0
   47    48    55    73  -0.30950 -1.0 2.0
   47    48    55    73   0.27300  1.0 3.0
   48    47    63    39   0.56750  1.0 1.0
   48    47    63    39  -0.07550 -1.0 2.0
   48    47    63    39   0.20000  1.0 3.0
   48    47    63    59   0.56750  1.0 1.0
   48    47    63    59  -0.07550 -1.0 2.0
   48    47    63    59   0.20000  1.0 3.0
   48    47    63    64   0.15000  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    53   0.15000  1.0 3.0
   48    47    51    54   0.15000  1.0 3.0
   48    55    57    58   0.15000  1.0 3.0
   48    55   -57    59   0.56750  1.0 1.0
   48    55   -57    59  -0.07550 -1.0 2.0
   48    55   -57    59   0.20000  1.0 3.0
   48    55    57    62   0.56750  1.0 1.0
   48    55    57    62  -0.07550 -1.0 2.0
   48    55    57    62   0.20000  1.0 3.0
   48    55    73    65  -0.25900  1.0 1.0
   48    55    73    65  -0.47000 -1.0 2.0
   48    55    73    65   0.11750  1.0 3.0
   49    48    55    56   0.15000  1.0 3.0
   49    48    55    57   0.15000  1.0 3.0
   49    48    55    73   0.23400  1.0 3.0
   50    48    55    56   0.15000  1.0 3.0
   50    48    55    57   0.15000  1.0 3.0
   50    48    55    73   0.23400  1.0 3.0
   55    57    59    60   0.15000  1.0 3.0
   55    57    59    61   0.15000  1.0 3.0
   55    57    59    63   0.56750  1.0 1.0
   55    57    59    63  -0.07550 -1.0 2.0
   55    57    59    63   0.20000  1.0 3.0
   55    57   -62    65  -0.95700  1.0 1.0
   55    57   -62    65  -0.18200 -1.0 2.0
   55    57   -62    65   0.29450  1.0 3.0
   55    57    62    67   0.56750  1.0 1.0
   55    57    62    67  -0.07550 -1.0 2.0
   55    57    62    67   0.20000  1.0 3.0
   55    57    62    71   0.86500  1.0 1.0
   55    57    62    71  -0.17500 -1.0 2.0
   55    57    62    71   0.20800  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    59   0.15000  1.0 3.0
   56    55    57    62   0.15000  1.0 3.0
   56    55    73    65   0.08050  1.0 3.0
   57    55   -73    65  -0.25900  1.0 1.0
   57    55   -73    65  -0.47000 -1.0 2.0
   57    55   -73    65   0.11750  1.0 3.0
   57    59    63    39   0.56750  1.0 1.0
   57    59    63    39  -0.07550 -1.0 2.0
   57    59    63    39   0.20000  1.0 3.0
   57    59   -63    47   0.56750  1.0 1.0
   57    59   -63    47  -0.07550 -1.0 2.0
   57    59   -63    47   0.20000  1.0 3.0
   57    59    63    64   0.15000  1.0 3.0
   57    62    65    66   0.30150 -1.0 2.0
   57    62   -65    73   0.36750  1.0 3.0
   57    62    67    68   0.15000  1.0 3.0
   57    62    67    69   0.15000  1.0 3.0
   57    62    67    70   0.15000  1.0 3.0
   57    62    71    72  -0.11600  1.0 1.0
   57    62    71    72  -0.09450 -1.0 2.0
   57    62    71    72   0.21250  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    61   0.15000  1.0 3.0
   58    57    59    63   0.15000  1.0 3.0
   58    57    62    65  -0.11250  1.0 3.0
   58    57    62    67   0.15000  1.0 3.0
   58    57    62    71   0.23400  1.0 3.0
   59    57    62    65  -0.95700  1.0 1.0
   59    57    62    65  -0.18200 -1.0 2.0
   59    57    62    65   0.29450  1.0 3.0
   59    57    62    67   0.56750  1.0 1.0
   59    57    62    67  -0.07550 -1.0 2.0
   59    57    62    67   0.20000  1.0 3.0
   59    57    62    71   0.86500  1.0 1.0
   59    57    62    71  -0.17500 -1.0 2.0
   59    57    62    71   0.20800  1.0 3.0
   60    59    63    39   0.15000  1.0 3.0
   60    59    63    47   0.15000  1.0 3.0
   60    59    63    64   0.15000  1.0 3.0
   61    59    63    39   0.15000  1.0 3.0
   61    59    63    47   0.15000  1.0 3.0
   61    59    63    64   0.15000  1.0 3.0
   63    39    41    42   0.30150 -1.0 2.0
   63    39   -41    43   0.65300  1.0 1.0
   63    39   -41    43  -0.03850 -1.0 2.0
   63    39   -41    43   0.33900  1.0 3.0
   63    47    48    49   0.15000  1.0 3.0
   63    47    48    50   0.15000  1.0 3.0
   63    47   -48    55   0.56750  1.0 1.0
   63    47   -48    55  -0.07550 -1.0 2.0
   63    47   -48    55   0.20000  1.0 3.0
   63    47    51    52   0.15000  1.0 3.0
   63    47    51    53   0.15000  1.0 3.0
   63    47    51    54   0.15000  1.0 3.0
   62    57    59    60   0.15000  1.0 3.0
   62    57    59    61   0.15000  1.0 3.0
   62    57    59    63   0.56750  1.0 1.0
   62    57    59    63  -0.07550 -1.0 2.0
   62    57    59    63   0.20000  1.0 3.0
   62    65   -73    55   1.63150  1.0 1.0
   62    65   -73    55   2.92000 -1.0 2.0
   65    62    67    68  -0.11250  1.0 3.0
   65    62    67    69  -0.11250  1.0 3.0
   65    62    67    70  -0.11250  1.0 3.0
   65    62    71    72   0.91850  1.0 1.0
   65    62    71    72   0.57950  1.0 3.0
   66    65    73    55   3.00000 -1.0 2.0
   73    55    57    58   0.23400  1.0 3.0
   73    55    57    59   0.62750  1.0 1.0
   73    55    57    59  -0.30950 -1.0 2.0
   73    55    57    59   0.27300  1.0 3.0
   73    55   -57    62   0.62750  1.0 1.0
   73    55   -57    62  -0.30950 -1.0 2.0
   73    55   -57    62   0.27300  1.0 3.0
   67    62    65    66   0.30150 -1.0 2.0
   67    62    65    73   0.36750  1.0 3.0
   67    62    71    72  -0.11600  1.0 1.0
   67    62    71    72  -0.09450 -1.0 2.0
   67    62    71    72   0.21250  1.0 3.0
   71    62    65    66   0.30150 -1.0 2.0
   71    62    65    73   0.30750  1.0 1.0
   71    62    65    73   1.13850 -1.0 2.0
   71    62    65    73   0.38850  1.0 3.0
   71    62    67    68   0.23400  1.0 3.0
   71    62    67    69   0.23400  1.0 3.0
   71    62    67    70   0.23400  1.0 3.0
   51    47    48    49   0.15000  1.0 3.0
   51    47    48    50   0.15000  1.0 3.0
   51    47    48    55   0.56750  1.0 1.0
   51    47    48    55  -0.07550 -1.0 2.0
   51    47    48    55   0.20000  1.0 3.0
   51    47    63    39   0.56750  1.0 1.0
   51    47    63    39  -0.07550 -1.0 2.0
   51    47    63    39   0.20000  1.0 3.0
   51    47    63    59   0.56750  1.0 1.0
   51    47    63    59  -0.07550 -1.0 2.0
   51    47    63    59   0.20000  1.0 3.0
   51    47    63    64   0.15000  1.0 3.0
IPHI
    9     5     7     8  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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   41    44    43    45   1.10000 -1.0 2.0
   47    46    45    43   1.10000 -1.0 2.0
   62    73    65    66  10.50000 -1.0 2.0
END
