* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    126    205     373
    1     0 S   NP   _N1_     1    28.10046    97.58109   -22.43719
    2     1 S   H    _HN1     2     1.02776    99.87809   -91.19364
    3     1 S   H    _H1_     3     1.02959    68.92130    14.78010
    4     1 S   H    _H2_     4     1.02837    43.95467   163.21916
    5     1 S   CT   _CA1     5     1.50129   145.39737   110.44914
    6     5 S   HC   _HA1     6     1.09575   105.21678    95.37943
    7     5 S   CO3  _C1_     7     1.53786   112.38606   -24.81282
    8     7 S   O2Z  _O11     8     1.26365   114.99329   -43.31559
    9     7 S   O2Z  _O12     9     1.26237   114.93805   135.80451
   10     5 S   CT   _CB1    10     1.53101   107.43005  -146.69776
   11    10 S   HC   HB11    11     1.09826   109.32967   -50.51849
   12    10 S   HC   HB12    12     1.09816   110.42342    66.04018
   13    10 S   CT   _CG1    13     1.53018   112.67074  -171.59562
   14    13 S   HC   HG11    14     1.09594   110.48080   -64.41631
   15    13 S   HC   HG12    15     1.09657   109.91843    54.77699
   16    13 S   C    _CD1    16     1.51845   112.34834   175.14853
   17    16 S   O    _OE1    17     1.22746   123.27366    -0.00000
   18    16 S   N    _N2_    18     1.38571   111.67132  -179.94405
   19    18 S   H    _HN2    19     1.01546   118.94373     4.80163
   20    18 S   CT1  _CA2    20     1.45751   122.89976   177.98938
   21    20 S   HC   _HA2    21     1.09770   108.70721    23.65732
   22    20 S   C    _C2_    22     1.52898   107.94714   -92.63619
   23    22 S   O    _O2_    23     1.22899   123.31277   -24.49121
   24    20 S   CT   _CB2    32     1.53223   111.99371   146.92713
   25    24 S   HC   HB21    33     1.09570   110.58473    42.82695
   26    24 S   HC   HB22    34     1.09249   110.14326   161.42883
   27    22 S   N    _N3_    24     1.38602   112.02762   158.04508
   28    27 S   H    _HN3    25     1.01677   120.05771    -1.53646
   29    24 S   S    _SG2    35     1.83034   110.18107   -77.20680
   30    27 S   CT   _CA3    26     1.45273   122.95534   178.35004
   31    30 S   HC   HA31    27     1.09556   107.76033   -56.84969
   32    30 S   HC   HA32    28     1.09548   107.71217    59.57128
   33    29 S   CT   _C21    36     1.90401   101.49349  -153.84338
   34    30 S   CO3  _C3_    29     1.52982   114.05542  -178.69599
   35    34 S   O2Z  _O31    30     1.26382   116.05043    -1.94783
   36    34 S   O2Z  _O32    31     1.26427   114.43426   178.08153
   37    33 S   CA   _C12    37     1.56376   116.74211    59.50749
   38    33 S   CO4  _C17    54     1.55000   101.17186   -60.43729
   39    38 S   O    _O23    55     1.23191   122.36387    94.63772
   40    33 S   CM   _C18    67     1.51829   105.02919  -176.02202
   41    37 S   CA   _C11    38     1.42701   120.91070  -162.16051
   42    38 S   CA   _C9_    56     1.48303   119.33965   -81.34306
   43    40 S   CMA  _C20    68     1.52777   120.69966   -96.86768
   44    43 S   OM   _O20    69     1.26233   120.89841    79.32054
   45    43 S   OM   _O21    70     1.26313   120.15678  -101.50770
   46    41 S   CA   _C7_    39     1.40910   121.97605   176.14045
   47    46 S   HA   _H31    40     1.08852   120.29082  -178.49937
   48    41 S   CO4  _C19    51     1.48538   123.26985    -6.63214
   49    48 S   O    _O24    52     1.22624   122.44812   159.28482
   50    48 S   HC   _H33    53     1.09820   117.77126   -21.46936
   51    42 S   CA   _C5_    57     1.40489   118.07446   164.33733
   52    51 S   HA   _H29    58     1.08749   121.12183     0.51396
   53    46 S   CA   _C13    41     1.39174   120.99064     3.15678
   54    51 S   CA   _C4_    59     1.39283   120.48659  -178.92973
   55    54 S   HA   _H28    60     1.08612   120.10328   179.77272
   56    53 S   CA   _C8_    42     1.39045   118.37502     0.29074
   57    56 S   HA   _H32    43     1.08834   119.16653   179.14362
   58    53 S   CT   _C22    47     1.49783   120.89135  -178.38942
   59    58 S   HC   _H34    48     1.09437   109.97709    90.08060
   60    58 S   HC   _H35    49     1.09514   110.95073  -149.45199
   61    58 S   HC   _H36    50     1.09511   111.00554   -30.39961
   62    54 S   CA   _C6_    61     1.38957   119.76108    -0.06561
   63    62 S   HA   _H30    62     1.08673   119.73627   179.94405
   64    37 S   CA   _C15    44     1.41559   124.13049    20.02856
   65    62 S   CA   _C14    63     1.39616   119.89533    -0.23903
   66    64 S   OH   _O26    45     1.37056   121.40407     4.34461
   67    66 S   HO   _H38    46     0.97170   109.62232   171.53049
   68    42 S   CA   _C10    64     1.39646   121.67916   -14.96292
   69    65 S   OH   _O25    71     1.37056   115.38839  -179.66780
   70    69 S   HO   _H37    72     0.97443   108.73251   179.30508
   71    68 S   CO4  _C16    65     1.47796   120.70945    -2.64952
   72    71 S   O    _O22    66     1.22673   120.15207  -176.56031
  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  10   5   4   3
  18   2   1   1  18  12   4  10  10  10   5   2   1  12   4   4
   1   1   8   4   8   6   3   8   3   4   2   1   1   6   3   2
   5   1   1   4   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    64    38    39    42    71    40    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    46    56    64    66    48    38    39    42    51    68    71    72    40    43    44    45  
   35    36  
   36  
    0  
   41    46    47    53    56    57    64    66    67    48    49    50    38    39    42    71    40    43  
   39    42    51    52    54    65    68    71    40    43    41    64  
   42    51    68    40  
   43    44    45    41    42    64    65    68    71    72  
   46    47    53    56    64    66    58    48    49    50  
   51    52    54    55    62    65    68    71    72    69  
   44    45    68    71    72  
   45    71  
   71  
   47    53    56    57    64    58    59    60    61    48    49    50  
   53    56    58    48  
   49    50    53    64  
   50  
    0  
   52    54    55    62    63    65    68    71  
   54    55    62    68  
   56    57    64    66    58    59    60    61  
   55    62    63    65    68    69  
   62    63    65  
   57    64    66    67    58    59    60    61  
   64    66    58  
   59    60    61    64  
   60    61  
   61  
    0  
   63    65    68    71    69    70  
   65    68    69  
   66    67  
   68    71    72    69    70  
   67  
    0  
   71    72    69    70  
   70    71  
    0  
   72  
    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   0.282500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.7500   0.1050   0.565000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   50   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    38   317.000  1.522
   33    40   317.000  1.510
   37    41   469.000  1.400
   37    64   469.000  1.400
   41    46   469.000  1.400
   41    48   310.000  1.470
   46    47   367.000  1.080
   46    53   469.000  1.400
   53    56   469.000  1.400
   53    58   317.000  1.510
   56    57   367.000  1.080
   56    64   469.000  1.400
   64    66   450.000  1.364
   66    67   553.000  0.945
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   48    49   570.000  1.229
   48    50   340.000  1.090
   38    39   570.000  1.229
   38    42   310.000  1.470
   42    51   469.000  1.400
   42    68   469.000  1.400
   51    52   367.000  1.080
   51    54   469.000  1.400
   54    55   367.000  1.080
   54    62   469.000  1.400
   62    63   367.000  1.080
   62    65   469.000  1.400
   65    68   469.000  1.400
   65    69   450.000  1.364
   68    71   310.000  1.470
   71    72   570.000  1.229
   71    40   320.000  1.462
   40    43   465.000  1.376
   43    44   745.000  1.250
   43    45   745.000  1.250
   69    70   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    80.00000  109.48900
   29    33    38    75.00000  110.18000
   29    33    40    75.00000  112.20000
   33    37    41    70.00000  120.00000
   33    37    64    70.00000  120.00000
   33    38    39    80.00000  120.40000
   33    38    42    65.00000  115.47100
   33    40    71    65.00000  116.34900
   33    40    43    70.00000  124.00000
   37    41    46    63.00000  120.00000
   37    41    48    60.00000  119.52600
   37    64    56    63.00000  120.00000
   37    64    66    70.00000  120.00000
   41    46    47    35.00000  120.00000
   41    46    53    63.00000  120.00000
   41    48    49    75.00000  123.78400
   41    48    50    35.00000  115.00000
   46    53    56    63.00000  120.00000
   46    53    58    70.00000  120.00000
   53    46    47    35.00000  120.00000
   53    56    57    35.00000  120.00000
   53    56    64    63.00000  120.00000
   53    58    59    35.00000  109.50000
   53    58    60    35.00000  109.50000
   53    58    61    35.00000  109.50000
   56    64    66    70.00000  120.00000
   64    37    41    63.00000  120.00000
   64    56    57    35.00000  120.00000
   64    66    67    35.00000  113.00000
   58    53    56    70.00000  120.00000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   48    41    46    60.00000  119.52600
   50    48    49    35.00000  123.00000
   38    33    37    70.00000  110.93000
   38    42    51    60.00000  119.52600
   38    42    68    60.00000  119.52600
   42    38    39    75.00000  123.78400
   42    51    52    35.00000  120.00000
   42    51    54    63.00000  120.00000
   42    68    65    63.00000  120.00000
   42    68    71    60.00000  119.52600
   51    54    55    35.00000  120.00000
   51    54    62    63.00000  120.00000
   54    51    52    35.00000  120.00000
   54    62    63    35.00000  120.00000
   54    62    65    63.00000  120.00000
   62    54    55    35.00000  120.00000
   62    65    68    63.00000  120.00000
   62    65    69    70.00000  120.00000
   65    62    63    35.00000  120.00000
   65    68    71    60.00000  119.52600
   65    69    70    35.00000  113.00000
   68    42    51    63.00000  120.00000
   68    71    72    75.00000  123.78400
   68    71    40    65.00000  117.02400
   71    40    43    60.00000  125.92000
   40    33    37    70.00000  112.99600
   40    33    38    70.00000  109.06800
   40    71    72    80.00000  123.72100
   40    43    44    65.00000  137.10300
   40    43    45    65.00000  137.10300
   45    43    44    65.00000  121.00000
   69    65    68    70.00000  120.00000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  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    37    41  -0.16000  1.0 1.0
   29    33    37    41  -0.03200 -1.0 2.0
   29    33    37    41   0.04500  1.0 3.0
   29    33    37    64  -0.16000  1.0 1.0
   29    33    37    64  -0.03200 -1.0 2.0
   29    33    37    64   0.04500  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    42   0.65300  1.0 1.0
   29    33    38    42  -0.03850 -1.0 2.0
   29    33    38    42   0.33900  1.0 3.0
   29    33    40    71   0.09700  1.0 1.0
   29    33    40    71   0.15600 -1.0 2.0
   29    33    40    71  -0.50800  1.0 3.0
   29    33    40    43   0.42700  1.0 1.0
   29    33    40    43  -0.70350 -1.0 2.0
   29    33    40    43  -0.43150  1.0 3.0
   33    37    41    46   3.62500 -1.0 2.0
   33    37    41    48   3.62500 -1.0 2.0
   33    37    64    56   3.62500 -1.0 2.0
   33    37    64    66   3.62500 -1.0 2.0
   33    38    42    51   2.26350  1.0 1.0
   33    38    42    51   0.76750 -1.0 2.0
   33    38    42    51   0.22500  1.0 3.0
   33    38    42    68   2.26350  1.0 1.0
   33    38    42    68   0.76750 -1.0 2.0
   33    38    42    68   0.22500  1.0 3.0
   33    40    43    44   7.00000 -1.0 2.0
   33    40    43    45   7.00000 -1.0 2.0
   37    33    38    39   0.30150 -1.0 2.0
   37    33    38    42   0.65300  1.0 1.0
   37    33    38    42  -0.03850 -1.0 2.0
   37    33    38    42   0.33900  1.0 3.0
   37    33    40    71   0.09700  1.0 1.0
   37    33    40    71   0.15600 -1.0 2.0
   37    33    40    71  -0.50800  1.0 3.0
   37    33    40    43   1.44450  1.0 1.0
   37    33    40    43   0.06600 -1.0 2.0
   37    33    40    43   0.29250  1.0 3.0
   37    41    46    47   3.62500 -1.0 2.0
   37    41    46    53   3.62500 -1.0 2.0
   37    41    48    49   1.05000 -1.0 2.0
   37    41    48    50   0.56600 -1.0 2.0
   37    64    66    67   0.84100 -1.0 2.0
   41    37    64    56   3.62500 -1.0 2.0
   41    37    64    66   3.62500 -1.0 2.0
   41    46   -53    56   3.62500 -1.0 2.0
   41    46    53    58   3.62500 -1.0 2.0
   46    41    48    49   1.05000 -1.0 2.0
   46    41    48    50   0.56600 -1.0 2.0
   46    53    56    57   3.62500 -1.0 2.0
   46    53    56    64   3.62500 -1.0 2.0
   46    53    58    59   0.00000  1.0 1.0
   46    53    58    60   0.00000  1.0 1.0
   46    53    58    61   0.00000  1.0 1.0
   47    46    53    56   3.62500 -1.0 2.0
   47    46    53    58   3.62500 -1.0 2.0
   53    56   -64    37   3.62500 -1.0 2.0
   53    56    64    66   3.62500 -1.0 2.0
   56    53    58    59   0.00000  1.0 1.0
   56    53    58    60   0.00000  1.0 1.0
   56    53    58    61   0.00000  1.0 1.0
   56    64    66    67   0.84100 -1.0 2.0
   57    56    64    37   3.62500 -1.0 2.0
   57    56    64    66   3.62500 -1.0 2.0
   64    37   -41    46   3.62500 -1.0 2.0
   64    37    41    48   3.62500 -1.0 2.0
   58    53    56    57   3.62500 -1.0 2.0
   58    53    56    64   3.62500 -1.0 2.0
   48    41    46    47   3.62500 -1.0 2.0
   48    41    46    53   3.62500 -1.0 2.0
   38    33    37    41   0.04300 -1.0 2.0
   38    33    37    64   0.04300 -1.0 2.0
   38    33    40    71   0.09700  1.0 1.0
   38    33    40    71   0.15600 -1.0 2.0
   38    33    40    71  -0.50800  1.0 3.0
   38    33    40    43  -0.51250  1.0 1.0
   38    33    40    43  -0.88800 -1.0 2.0
   38    33    40    43   0.08850  1.0 3.0
   38    42    51    52   3.62500 -1.0 2.0
   38    42    51    54   3.62500 -1.0 2.0
   38    42    68    65   3.62500 -1.0 2.0
   38    42   -68    71   3.62500 -1.0 2.0
   39    38    42    51   1.05000 -1.0 2.0
   39    38    42    68   1.05000 -1.0 2.0
   42    51    54    55   3.62500 -1.0 2.0
   42    51    54    62   3.62500 -1.0 2.0
   42    68    71    72   1.05000 -1.0 2.0
   42    68    71    40  -0.11500  1.0 1.0
   42    68    71    40   1.10450 -1.0 2.0
   42    68    71    40  -0.48050  1.0 3.0
   51    42    68    65   3.62500 -1.0 2.0
   51    42    68    71   3.62500 -1.0 2.0
   51    54    62    63   3.62500 -1.0 2.0
   51    54   -62    65   3.62500 -1.0 2.0
   52    51    54    55   3.62500 -1.0 2.0
   52    51    54    62   3.62500 -1.0 2.0
   54    62    65    68   3.62500 -1.0 2.0
   54    62    65    69   3.62500 -1.0 2.0
   55    54    62    63   3.62500 -1.0 2.0
   55    54    62    65   3.62500 -1.0 2.0
   62    65   -68    42   3.62500 -1.0 2.0
   62    65    68    71   3.62500 -1.0 2.0
   62    65    69    70   0.84100 -1.0 2.0
   63    62    65    68   3.62500 -1.0 2.0
   63    62    65    69   3.62500 -1.0 2.0
   65    68    71    72   1.05000 -1.0 2.0
   65    68    71    40  -0.11500  1.0 1.0
   65    68    71    40   1.10450 -1.0 2.0
   65    68    71    40  -0.48050  1.0 3.0
   68    42    51    52   3.62500 -1.0 2.0
   68    42   -51    54   3.62500 -1.0 2.0
   68    65    69    70   0.84100 -1.0 2.0
   68    71   -40    33   1.50000 -1.0 2.0
   68    71    40    43  -1.65800  1.0 1.0
   68    71    40    43   0.77650 -1.0 2.0
   71    40    43    44   7.00000 -1.0 2.0
   71    40    43    45   7.00000 -1.0 2.0
   72    71    40    33  -0.64400  1.0 1.0
   72    71    40    33   0.26850 -1.0 2.0
   72    71    40    43   1.00000 -1.0 2.0
   40    33    37    41   0.18050 -1.0 2.0
   40    33    37    64   0.18050 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    42   0.65300  1.0 1.0
   40    33   -38    42  -0.03850 -1.0 2.0
   40    33   -38    42   0.33900  1.0 3.0
   69    65    68    42   3.62500 -1.0 2.0
   69    65    68    71   3.62500 -1.0 2.0
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
   36    30    34    35  10.50000 -1.0 2.0
   41    64    37    33   4.00000 -1.0 2.0
   46    48    41    37   4.00000 -1.0 2.0
   53    47    46    41   1.10000 -1.0 2.0
   56    58    53    46   4.00000 -1.0 2.0
   64    57    56    53   1.10000 -1.0 2.0
   56    66    64    37   4.00000 -1.0 2.0
   41    50    48    49  10.50000 -1.0 2.0
   33    42    38    39  10.50000 -1.0 2.0
   51    68    42    38   4.00000 -1.0 2.0
   54    52    51    42   1.10000 -1.0 2.0
   62    55    54    51   1.10000 -1.0 2.0
   65    63    62    54   1.10000 -1.0 2.0
   68    69    65    62   4.00000 -1.0 2.0
   65    71    68    42   4.00000 -1.0 2.0
   68    40    71    72  10.50000 -1.0 2.0
   33    71    40    43   1.10000 -1.0 2.0
   44    45    43    40   1.10000 -1.0 2.0
END
