* LIGAND DATABASE FILE (OPLS2005)
*
001      65    66    116    183     343
    1     0 S   NP   _N1_     1    28.58713    97.20916   -20.14883
    2     1 S   H    _HN1     2     1.02852    70.04717   -27.81922
    3     1 S   H    _H1_     3     1.02965    46.40940   113.66453
    4     1 S   H    _H2_     4     1.02783    94.28162  -135.71759
    5     1 S   CT   _CA1     5     1.50566   150.50613    70.33811
    6     5 S   HC   _HA1     6     1.09692   104.58190    95.47345
    7     5 S   CO3  _C1_     7     1.54484   110.79237   -20.18165
    8     7 S   O2Z  _O11     8     1.26010   116.76176  -120.09185
    9     7 S   O2Z  _O12     9     1.26590   113.70023    58.71544
   10     5 S   CT   _CB1    10     1.53152   106.93304  -148.56610
   11    10 S   HC   HB11    11     1.09831   109.97508   -42.59220
   12    10 S   HC   HB12    12     1.09775   110.16929    74.11263
   13    10 S   CT   _CG1    13     1.52964   112.33176  -163.20931
   14    13 S   HC   HG11    14     1.09380   110.60835   -58.43576
   15    13 S   HC   HG12    15     1.09653   109.93948    60.59874
   16    13 S   C    _CD1    16     1.51762   112.48951  -178.78469
   17    16 S   O    _OE1    17     1.22733   123.39308    -2.20123
   18    16 S   N    _N2_    18     1.38519   111.57253   177.52828
   19    18 S   H    _HN2    19     1.01577   118.98926     5.71169
   20    18 S   CT1  _CA2    20     1.45887   123.06819  -179.35169
   21    20 S   HC   _HA2    21     1.09722   108.92858    23.01724
   22    20 S   C    _C2_    22     1.52842   107.16946   -94.33448
   23    22 S   O    _O2_    23     1.22954   122.90524   -26.61760
   24    20 S   CT   _CB2    32     1.53370   111.81762   145.92929
   25    24 S   HC   HB21    33     1.09225   109.10147    58.21165
   26    24 S   HC   HB22    34     1.09484   110.41770   176.41209
   27    22 S   N    _N3_    24     1.38600   112.39123   156.26056
   28    27 S   H    _HN3    25     1.01494   119.74868     0.90482
   29    24 S   S    _SG2    35     1.82876   110.38890   -63.73594
   30    27 S   CT   _CA3    26     1.45439   122.73762   175.29351
   31    30 S   HC   HA31    27     1.09545   108.84569    32.17902
   32    30 S   HC   HA32    28     1.09477   107.18642   149.30541
   33    29 S   CT   _C17    36     1.86568   101.94240   159.49769
   34    33 S   Cl   Cl2_    37     1.81771   106.98397    65.13457
   35    33 S   Cl   Cl3_    38     1.81567   106.03335   176.98033
   36    30 S   CO3  _C3_    29     1.53071   113.72643   -90.70852
   37    36 S   O2Z  _O31    30     1.26363   115.88788   -28.79652
   38    36 S   O2Z  _O32    31     1.26424   114.62092   152.04532
   39    33 S   CT   _C10    39     1.57667   115.38016   -58.05776
   40    39 S   HC   _H3_    40     1.09723   103.31160    73.18340
   41    39 S   CA   _C9_    41     1.53903   117.62833   -38.36930
   42    39 S   CM   _C11    52     1.54339   115.09490  -172.41884
   43    41 S   CA   _C4_    42     1.40909   118.31005   139.13004
   44    43 S   HA   _H6_    43     1.08845   120.21426    -0.23490
   45    42 S   CM   _C12    53     1.35015   122.90244    88.68997
   46    45 S   HC   _H10    54     1.08436   121.96063    -0.27268
   47    43 S   CA   _C5_    44     1.39591   121.26560   179.87967
   48    47 S   HA   _H7_    45     1.08656   119.40433   179.56255
   49    45 S   CM   _C13    55     1.44444   122.38915  -177.16766
   50    49 S   HC   _H11    56     1.08511   117.18317   164.12357
   51    47 S   CA   _C6_    46     1.39092   119.59648    -0.58350
   52    51 S   Cl   Cl4_    47     1.72108   119.77899   179.61235
   53    49 S   CM   _C14    57     1.34184   121.15311   -16.99571
   54    53 S   Cl   Cl1_    58     1.73285   120.14126   178.80417
   55    51 S   CA   _C7_    48     1.39243   120.28567    -0.30132
   56    55 S   HA   _H8_    49     1.08729   120.75555  -179.83214
   57    53 S   CT   _C15    59     1.51748   122.79636     2.14064
   58    57 S   OM   _O34    60     1.32809   106.89550   -95.49083
   59    57 S   HC   _H4_    61     1.10100   107.14922   135.74902
   60    41 S   CA   _C8_    50     1.40268   123.69994   -42.44783
   61    60 S   HA   _H9_    51     1.08474   121.35667     0.04846
   62    42 S   CT   _C16    62     1.53398   118.99823   -90.70800
   63    62 S   HC   _H5_    63     1.09837   105.90699    85.34332
   64    62 S   OH   _O33    64     1.43019   111.65275   -29.22848
   65    64 S   HO   _H12    65     0.97463   105.84285   -95.62598
  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  16   6  12  14   8   4   9   4   6   3
   7   3   5   3   7   4   3   2   6   4   3   1   1   3   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    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    43    60    42    45    62  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    43    44    47    55    60    61    42    45    46    49    57    62    63    64  
   41    43    60    42    45    62  
   43    44    47    48    51    55    56    60    61    42    45    62  
   45    46    49    50    53    57    58    59    62    63    64    65    43    60  
   44    47    48    51    52    55    60    61  
   47    48    51    60  
   46    49    50    53    54    57    62    63    64  
   49    50    53    62  
   48    51    52    55    56    60  
   51    52    55  
   50    53    54    57    58    59    62  
   53    54    57  
   52    55    56    60    61  
   55    56    60  
   54    57    58    59    62    63    64  
   57    58    59    62  
   56    60    61  
   60    61  
   58    59    62    63    64    65  
   59    62    63    64  
   62    63    64  
   61  
    0  
   63    64    65  
   64    65  
   65  
    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  -0.175000   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   0.150500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.135800   2.1950   1.9500   0.001000000   0.320982824
   35   3.4000   0.3000  -0.135800   2.1950   1.9500   0.001000000   0.320982824
   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   0.183600   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   53   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   58   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   59   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   245.000  1.781
   33    35   245.000  1.781
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.510
   39    42   317.000  1.510
   41    43   469.000  1.400
   41    60   469.000  1.400
   43    44   367.000  1.080
   43    47   469.000  1.400
   47    48   367.000  1.080
   47    51   469.000  1.400
   51    52   300.000  1.725
   51    55   469.000  1.400
   55    56   367.000  1.080
   55    60   469.000  1.400
   60    61   367.000  1.080
   42    45   549.000  1.340
   42    62   317.000  1.510
   45    46   340.000  1.080
   45    49   380.000  1.444
   49    50   340.000  1.080
   49    53   549.000  1.340
   53    54   300.000  1.725
   53    57   317.000  1.510
   57    58   570.000  1.307
   57    59   340.000  1.090
   57    62   268.000  1.529
   62    63   340.000  1.090
   62    64   320.000  1.410
   64    65   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    85.00000  110.65400
   29    33    35    85.00000  110.65400
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    70.00000  112.17500
   33    39    42    70.00000  112.02700
   35    33    34    80.00000  110.42200
   39    33    34    69.00000  109.80000
   39    33    35    69.00000  109.80000
   39    41    43    70.00000  120.00000
   39    41    60    70.00000  120.00000
   39    42    45    70.00000  124.00000
   39    42    62    65.00000  117.92700
   41    39    40    35.00000  109.50000
   41    43    44    35.00000  120.00000
   41    43    47    63.00000  120.00000
   41    60    55    63.00000  120.00000
   41    60    61    35.00000  120.00000
   43    47    48    35.00000  120.00000
   43    47    51    63.00000  120.00000
   47    43    44    35.00000  120.00000
   47    51    52    75.00000  120.00000
   47    51    55    63.00000  120.00000
   51    47    48    35.00000  120.00000
   51    55    56    35.00000  120.00000
   51    55    60    63.00000  120.00000
   55    51    52    75.00000  120.00000
   55    60    61    35.00000  120.00000
   60    41    43    63.00000  120.00000
   60    55    56    35.00000  120.00000
   42    39    40    35.00000  109.50000
   42    39    41    70.00000  112.99600
   42    45    46    35.00000  120.00000
   42    45    49    70.00000  123.01800
   42    62    57    70.00000  112.02700
   42    62    63    35.00000  109.50000
   42    62    64    90.00000  110.39200
   45    49    50    35.00000  120.00000
   45    49    53    70.00000  123.01800
   49    45    46    35.00000  120.00000
   49    53    54    75.00000  121.50000
   49    53    57    70.00000  124.00000
   53    49    50    35.00000  120.00000
   53    57    58    85.00000  110.90400
   53    57    59    35.00000  109.50000
   53    57    62    70.00000  112.02700
   57    53    54    75.00000  111.02000
   57    62    63    37.50000  110.70000
   57    62    64    50.00000  109.50000
   59    57    58    45.00000  125.66300
   62    42    45    70.00000  124.00000
   62    57    58    50.00000  109.50000
   62    57    59    37.50000  110.70000
   62    64    65    55.00000  108.50000
   64    62    63    35.00000  109.50000
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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  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    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    41    43   0.04150 -1.0 2.0
   33    39    41    60   0.04150 -1.0 2.0
   33    39    42    45   0.09850  1.0 1.0
   33    39    42    45   0.15250 -1.0 2.0
   33    39    42    45  -0.50650  1.0 3.0
   33    39    42    62   0.46850  1.0 1.0
   33    39    42    62   0.08550 -1.0 2.0
   33    39    42    62   0.09800  1.0 3.0
   34    33    39    40   0.27000  1.0 3.0
   34    33    39    41   0.56750  1.0 1.0
   34    33    39    41  -0.07550 -1.0 2.0
   34    33    39    41   0.20000  1.0 3.0
   34    33    39    42   0.56750  1.0 1.0
   34    33    39    42  -0.07550 -1.0 2.0
   34    33    39    42   0.20000  1.0 3.0
   35    33    39    40   0.27000  1.0 3.0
   35    33    39    41   0.56750  1.0 1.0
   35    33    39    41  -0.07550 -1.0 2.0
   35    33    39    41   0.20000  1.0 3.0
   35    33    39    42   0.56750  1.0 1.0
   35    33    39    42  -0.07550 -1.0 2.0
   35    33    39    42   0.20000  1.0 3.0
   39    41    43    44   3.62500 -1.0 2.0
   39    41    43    47   3.62500 -1.0 2.0
   39    41    60    55   3.62500 -1.0 2.0
   39    41    60    61   3.62500 -1.0 2.0
   39    42    45    46   7.00000 -1.0 2.0
   39    42    45    49   7.00000 -1.0 2.0
   39    42    62    57   0.46850  1.0 1.0
   39    42    62    57   0.08550 -1.0 2.0
   39    42    62    57   0.09800  1.0 3.0
   39    42    62    63   0.34800  1.0 3.0
   39    42    62    64   0.18000  1.0 1.0
   39    42    62    64   0.16450 -1.0 2.0
   39    42    62    64   0.04450  1.0 3.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    41    60   0.00000  1.0 1.0
   40    39    42    45   0.00000  1.0 1.0
   40    39    42    62   0.34800  1.0 3.0
   41    39    42    45   1.44450  1.0 1.0
   41    39    42    45   0.06600 -1.0 2.0
   41    39    42    45   0.29250  1.0 3.0
   41    39    42    62   0.09700  1.0 1.0
   41    39    42    62   0.15600 -1.0 2.0
   41    39    42    62  -0.50800  1.0 3.0
   41    43    47    48   3.62500 -1.0 2.0
   41    43    47    51   3.62500 -1.0 2.0
   43    41    60    55   3.62500 -1.0 2.0
   43    41    60    61   3.62500 -1.0 2.0
   43    47    51    52   3.62500 -1.0 2.0
   43    47   -51    55   3.62500 -1.0 2.0
   44    43    47    48   3.62500 -1.0 2.0
   44    43    47    51   3.62500 -1.0 2.0
   47    51    55    56   3.62500 -1.0 2.0
   47    51    55    60   3.62500 -1.0 2.0
   48    47    51    52   3.62500 -1.0 2.0
   48    47    51    55   3.62500 -1.0 2.0
   51    55   -60    41   3.62500 -1.0 2.0
   51    55    60    61   3.62500 -1.0 2.0
   52    51    55    56   3.62500 -1.0 2.0
   52    51    55    60   3.62500 -1.0 2.0
   56    55    60    41   3.62500 -1.0 2.0
   56    55    60    61   3.62500 -1.0 2.0
   60    41    43    44   3.62500 -1.0 2.0
   60    41   -43    47   3.62500 -1.0 2.0
   42    39    41    43   0.18050 -1.0 2.0
   42    39    41    60   0.18050 -1.0 2.0
   42    45    49    50  -0.18600  1.0 3.0
   42    45    49    53   0.28850  1.0 1.0
   42    45    49    53   2.61350 -1.0 2.0
   42    45    49    53   0.78400  1.0 3.0
   42    62    64    65  -0.07800  1.0 1.0
   42    62    64    65  -0.21500 -1.0 2.0
   42    62    64    65  -0.03150  1.0 3.0
   45    42    62    57   0.09850  1.0 1.0
   45    42    62    57   0.15250 -1.0 2.0
   45    42    62    57  -0.50650  1.0 3.0
   45    42    62    63   0.00000  1.0 1.0
   45    42    62    64   0.67800  1.0 1.0
   45    42    62    64   0.47050 -1.0 2.0
   45    42    62    64  -0.62500  1.0 3.0
   45    49    53    54   7.00000 -1.0 2.0
   45    49   -53    57   7.00000 -1.0 2.0
   46    45    49    50   0.00000  1.0 1.0
   46    45    49    53  -0.18600  1.0 3.0
   49    53    57    58   0.39000  1.0 1.0
   49    53    57    58  -0.05800 -1.0 2.0
   49    53    57    58  -0.55150  1.0 3.0
   49    53    57    59   0.00000  1.0 1.0
   49    53    57    62   0.09850  1.0 1.0
   49    53    57    62   0.15250 -1.0 2.0
   49    53    57    62  -0.50650  1.0 3.0
   50    49    53    54   7.00000 -1.0 2.0
   50    49    53    57   7.00000 -1.0 2.0
   53    57   -62    42   0.31000  1.0 1.0
   53    57   -62    42   0.14700 -1.0 2.0
   53    57   -62    42   0.07550  1.0 3.0
   53    57    62    63   0.15000  1.0 3.0
   53    57    62    64   1.05650  1.0 1.0
   53    57    62    64   0.15600 -1.0 2.0
   53    57    62    64   0.53150  1.0 3.0
   54    53    57    58   0.09700  1.0 1.0
   54    53    57    58   0.15600 -1.0 2.0
   54    53    57    58  -0.50800  1.0 3.0
   54    53    57    59   0.00000  1.0 1.0
   54    53    57    62   0.09700  1.0 1.0
   54    53    57    62   0.15600 -1.0 2.0
   54    53    57    62  -0.50800  1.0 3.0
   57    62    64    65  -0.11600  1.0 1.0
   57    62    64    65  -0.09450 -1.0 2.0
   57    62    64    65   0.21250  1.0 3.0
   58    57    62    42   0.61850  1.0 1.0
   58    57    62    42  -0.22750 -1.0 2.0
   58    57    62    42   0.15300  1.0 3.0
   58    57    62    63   0.23400  1.0 3.0
   58    57    62    64   3.69350  1.0 1.0
   58    57    62    64  -1.82950 -1.0 2.0
   59    57    62    42   0.15000  1.0 3.0
   59    57    62    63   0.15000  1.0 3.0
   59    57    62    64   0.23400  1.0 3.0
   62    42    45    46   7.00000 -1.0 2.0
   62    42   -45    49   7.00000 -1.0 2.0
   63    62    64    65   0.19450  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
   43    60    41    39   4.00000 -1.0 2.0
   47    44    43    41   1.10000 -1.0 2.0
   51    48    47    43   1.10000 -1.0 2.0
   55    52    51    47   4.00000 -1.0 2.0
   60    56    55    51   1.10000 -1.0 2.0
   55    61    60    41   1.10000 -1.0 2.0
   39    62    42    45   1.10000 -1.0 2.0
   49    46    45    42   1.10000 -1.0 2.0
   45    50    49    53   1.10000 -1.0 2.0
   57    54    53    49   1.10000 -1.0 2.0
END
