* LIGAND DATABASE FILE (OPLS2005)
*
001      72    75    129    217     385
    1     0 S   NP   _N1_     1    28.28694    99.20392   -20.89583
    2     1 S   H    _HN1     2     1.02836    53.64698   144.76792
    3     1 S   H    _H1_     3     1.02777   101.04647  -111.04066
    4     1 S   H    _H2_     4     1.02958    58.67439    -6.17251
    5     1 S   CT   _CA1     5     1.50162   146.61077    73.29465
    6     5 S   HC   _HA1     6     1.09576   105.17392   113.89002
    7     5 S   CO3  _C1_     7     1.53728   112.33583    -6.25470
    8     7 S   O2Z  _O11     8     1.26368   114.95863   -43.57464
    9     7 S   O2Z  _O12     9     1.26219   114.90651   135.30964
   10     5 S   CT   _CB1    10     1.53062   107.39928  -128.22539
   11    10 S   HC   HB11    11     1.09837   109.20525   -50.18263
   12    10 S   HC   HB12    12     1.09814   110.47347    66.31497
   13    10 S   CT   _CG1    13     1.53078   112.78992  -171.22282
   14    13 S   HC   HG11    14     1.09582   110.62376   -67.22072
   15    13 S   HC   HG12    15     1.09662   109.82892    52.05153
   16    13 S   C    _CD1    16     1.51860   112.04014   172.36627
   17    16 S   O    _OE1    17     1.22784   123.16378     6.94859
   18    16 S   N    _N2_    18     1.38548   111.94234  -172.98055
   19    18 S   H    _HN2    19     1.01581   119.21263     2.77291
   20    18 S   CT1  _CA2    20     1.45896   122.61972   176.44015
   21    20 S   HC   _HA2    21     1.09708   108.91893    28.58925
   22    20 S   C    _C2_    22     1.52936   106.46066   -88.76925
   23    22 S   O    _O2_    23     1.23035   122.84361   -32.16997
   24    20 S   CT   _CB2    32     1.53221   112.41607   152.14502
   25    24 S   HC   HB21    33     1.09343   109.55834    55.45796
   26    24 S   HC   HB22    34     1.09449   109.51425   173.76483
   27    22 S   N    _N3_    24     1.38475   112.84663   150.39474
   28    27 S   H    _HN3    25     1.01681   120.42477    -1.38154
   29    24 S   S    _SG2    35     1.82878   110.87341   -66.13080
   30    27 S   CT   _CA3    26     1.45373   122.22040   178.48561
   31    30 S   HC   HA31    27     1.09574   107.30969   -65.65108
   32    30 S   HC   HA32    28     1.09575   108.07014    50.60702
   33    29 S   CT   _C12    36     1.90504   101.58365   171.96906
   34    30 S   CO3  _C3_    29     1.52833   114.58181   172.58736
   35    34 S   O2Z  _O31    30     1.26281   116.13100    -6.45078
   36    34 S   O2Z  _O32    31     1.26467   114.36455   173.78643
   37    33 S   CM   _C14    37     1.55578   107.12909    56.45099
   38    33 S   CO4  _C13    55     1.55036   107.87013   173.92756
   39    38 S   O    _O34    56     1.22980   124.52941  -128.43811
   40    37 S   CM   _C19    38     1.36734   129.62210    58.19290
   41    38 S   CA   _C8_    57     1.47850   117.43826    57.76782
   42    40 S   CM   _C18    39     1.48030   120.53259   176.44411
   43    41 S   CA   _C9_    58     1.39153   118.99801    30.74331
   44    42 S   CM   _C17    40     1.46753   117.35144   -21.28296
   45    42 S   CMA  _C23    47     1.35893   120.10631   160.77302
   46    45 S   OM   _O36    48     1.26422   131.88134   178.48406
   47    43 S   CA   _C4_    59     1.40704   119.68270   179.34568
   48    47 S   HA   _H4_    60     1.09170   118.77095  -179.98022
   49    43 S   CO4  _C10    68     1.49255   120.60045     0.21398
   50    49 S   O    _O33    69     1.23136   119.48192   179.90513
   51    44 S   CM   _C16    41     1.33332   119.59870    25.48882
   52    51 S   HC   _H6_    42     1.08196   123.09236   175.56390
   53    44 S   OH   _O38    45     1.38048   120.01232  -155.81100
   54    53 S   HO   _H8_    46     0.97526   107.57958    -6.10997
   55    45 S   CM   _C22    49     1.46240   118.39427    -4.20365
   56    55 S   HC   _H7_    50     1.09354   116.92879  -164.64988
   57    47 S   CA   _C5_    61     1.41486   123.13953    -0.29541
   58    57 S   OM   _O42    62     1.27686   122.69407  -179.80719
   59    33 S   CT   _C11    70     1.58468   107.92766   -74.01482
   60    59 S   OM   _O40    71     1.32907   111.93176  -174.14562
   61    59 S   HC   _H3_    72     1.09732   107.27576    52.58819
   62    37 S   CO4  _C15    43     1.51636   116.36972  -116.93754
   63    62 S   O    _O39    44     1.22651   123.53759    33.51744
   64    55 S   CMA  _C21    51     1.34801   126.53185    15.70978
   65    64 S   OM   _O37    52     1.26334   129.76130   178.68895
   66    57 S   CA   _C6_    63     1.41254   114.70793     0.10835
   67    66 S   HA   _H5_    64     1.09149   118.95787   179.84298
   68    40 S   CO4  _C20    53     1.51313   123.93785    -3.23489
   69    68 S   O    _O35    54     1.22755   123.19820    33.23137
   70    41 S   CA   _C7_    65     1.39236   121.69297  -150.31913
   71    70 S   OH   _O41    66     1.36888   123.09619     1.71395
   72    71 S   HO   _H9_    67     0.97455   108.78428     0.23985
  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  11   5   4   3
  17   2   1   1  18  13   4  14  12  13  12  10   8   3   9   4
   6   3   5   3   2   1   5   3   5   3   3   1   1   2   1   3
   2   4   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    59    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    62    38    39    41    49    59    60    61  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    42    51    62    63    68    38    39    41    43    70    49    50    59    60    61  
   35    36  
   36  
    0  
   40    42    44    51    52    62    63    45    64    68    69    38    39    41    49    59    60    61  
   39    41    43    47    66    70    71    49    59    60    61    40    62  
   41    43    70    59  
   42    44    51    62    63    53    45    46    55    64    65    68    69    59  
   43    47    48    57    66    67    70    71    72    49    50    59  
   44    51    52    62    53    54    45    46    55    56    64    68    69  
   47    48    57    58    66    70    71    49    50    59    60    61  
   51    52    62    63    53    54    45    46    55    68  
   46    55    56    64    65    68    51    53  
   55    56    64  
   48    57    58    66    67    70    49    50    59  
   57    58    66    49  
   50    59    60    61    57    70  
   59    60    61  
   52    62    63    53    54  
   62    63    53  
   54    62  
    0  
   56    64    65    68    69  
   64    65    68  
   58    66    67    70    71  
   66    67    70  
   60    61    62  
   61  
    0  
   63    68  
    0  
   65    68    69  
   68    69  
   67    70    71    72  
   70    71  
   69  
    0  
   71    72  
   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   0.167500   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   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   0.000000   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   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0760  -1.317400   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   59   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   65   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   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    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    59   268.000  1.529
   37    40   549.000  1.340
   37    62   320.000  1.462
   40    42   380.000  1.444
   40    68   320.000  1.462
   42    44   380.000  1.444
   42    45   465.000  1.376
   44    51   549.000  1.340
   44    53   510.000  1.338
   51    52   340.000  1.080
   51    62   320.000  1.462
   62    63   570.000  1.229
   53    54   553.000  0.945
   45    46   745.000  1.250
   45    55   465.000  1.376
   55    56   340.000  1.080
   55    64   465.000  1.376
   64    65   745.000  1.250
   64    68   270.000  1.476
   68    69   570.000  1.229
   38    39   570.000  1.229
   38    41   310.000  1.470
   41    43   469.000  1.400
   41    70   469.000  1.400
   43    47   469.000  1.400
   43    49   310.000  1.470
   47    48   367.000  1.080
   47    57   469.000  1.400
   57    58   450.000  1.364
   57    66   469.000  1.400
   66    67   367.000  1.080
   66    70   469.000  1.400
   70    71   450.000  1.364
   71    72   553.000  0.945
   49    50   570.000  1.229
   49    59   317.000  1.522
   59    60   570.000  1.307
   59    61   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    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    75.00000  112.20000
   29    33    38    75.00000  110.18000
   29    33    59    75.00000  111.63000
   33    37    40    70.00000  124.00000
   33    37    62    65.00000  116.34900
   33    38    39    80.00000  120.40000
   33    38    41    65.00000  115.47100
   33    59    49    63.00000  111.10000
   33    59    60    50.00000  109.50000
   33    59    61    37.50000  110.70000
   37    40    42    70.00000  123.01800
   37    40    68    65.00000  118.96000
   37    62    51    65.00000  118.65900
   37    62    63    80.00000  123.72100
   40    42    44    70.00000  123.01800
   40    42    45    70.00000  117.34000
   40    68    64    65.00000  118.65900
   40    68    69    80.00000  123.72100
   42    44    51    70.00000  123.01800
   42    44    53    80.00000  121.38400
   42    45    46    65.00000  137.10300
   42    45    55    70.00000  123.01800
   44    51    52    35.00000  120.00000
   44    51    62    65.00000  118.96000
   44    53    54    70.00000  107.45700
   51    62    63    80.00000  123.72100
   62    37    40    65.00000  118.96000
   62    51    52    40.00000  117.72500
   53    44    51    80.00000  121.38400
   45    42    44    70.00000  117.34000
   45    55    56    40.00000  120.50800
   45    55    64    70.00000  117.34000
   55    45    46    65.00000  137.10300
   55    64    65    65.00000  137.10300
   55    64    68    65.00000  114.61000
   64    55    56    40.00000  120.50800
   64    68    69    80.00000  120.81000
   68    40    42    65.00000  118.96000
   68    64    65    85.00000  116.28000
   38    33    37    70.00000  109.06800
   38    41    43    60.00000  119.52600
   38    41    70    60.00000  119.52600
   41    38    39    75.00000  123.78400
   41    43    47    63.00000  120.00000
   41    43    49    60.00000  119.52600
   41    70    66    63.00000  120.00000
   41    70    71    70.00000  120.00000
   43    47    48    35.00000  120.00000
   43    47    57    63.00000  120.00000
   43    49    50    75.00000  123.78400
   43    49    59    65.00000  115.47100
   47    57    58    70.00000  120.00000
   47    57    66    63.00000  120.00000
   57    47    48    35.00000  120.00000
   57    66    67    35.00000  120.00000
   57    66    70    63.00000  120.00000
   66    57    58    70.00000  120.00000
   66    70    71    70.00000  120.00000
   70    41    43    63.00000  120.00000
   70    66    67    35.00000  120.00000
   70    71    72    35.00000  113.00000
   49    43    47    60.00000  119.52600
   49    59    60    90.00000  108.74100
   49    59    61    35.00000  109.50000
   59    33    37    70.00000  112.02700
   59    33    38    63.00000  111.10000
   59    49    50    80.00000  120.40000
   61    59    60    45.00000  125.66300
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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  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    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   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    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    62   0.09700  1.0 1.0
   29    33    37    62   0.15600 -1.0 2.0
   29    33    37    62  -0.50800  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    41   0.65300  1.0 1.0
   29    33    38    41  -0.03850 -1.0 2.0
   29    33    38    41   0.33900  1.0 3.0
   29    33    59    49   0.56750  1.0 1.0
   29    33    59    49  -0.07550 -1.0 2.0
   29    33    59    49   0.20000  1.0 3.0
   29    33    59    60   0.56750  1.0 1.0
   29    33    59    60  -0.07550 -1.0 2.0
   29    33    59    60   0.20000  1.0 3.0
   29    33    59    61   0.15000  1.0 3.0
   33    37    40    42   7.00000 -1.0 2.0
   33    37    40    68   7.00000 -1.0 2.0
   33    37    62    51   1.50000 -1.0 2.0
   33    37    62    63  -0.64400  1.0 1.0
   33    37    62    63   0.26850 -1.0 2.0
   33    38    41    43   2.26350  1.0 1.0
   33    38    41    43   0.76750 -1.0 2.0
   33    38    41    43   0.22500  1.0 3.0
   33    38    41    70   2.26350  1.0 1.0
   33    38    41    70   0.76750 -1.0 2.0
   33    38    41    70   0.22500  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    33    38    41   0.65300  1.0 1.0
   37    33    38    41  -0.03850 -1.0 2.0
   37    33    38    41   0.33900  1.0 3.0
   37    33    59    49  -0.98800  1.0 1.0
   37    33    59    49   0.48800 -1.0 2.0
   37    33    59    49   0.76800  1.0 3.0
   37    33    59    60   0.61850  1.0 1.0
   37    33    59    60  -0.22750 -1.0 2.0
   37    33    59    60   0.15300  1.0 3.0
   37    33    59    61   0.15000  1.0 3.0
   37    40    42    44   0.28850  1.0 1.0
   37    40    42    44   2.61350 -1.0 2.0
   37    40    42    44   0.78400  1.0 3.0
   37    40    42    45   0.28850  1.0 1.0
   37    40    42    45   2.61350 -1.0 2.0
   37    40    42    45   0.78400  1.0 3.0
   37    40    68    64  -1.18350  1.0 1.0
   37    40    68    64   1.45950 -1.0 2.0
   37    40    68    69   1.00000 -1.0 2.0
   40    37    62    51  -1.18350  1.0 1.0
   40    37    62    51   1.45950 -1.0 2.0
   40    37    62    63   1.00000 -1.0 2.0
   40    42   -44    51   0.28850  1.0 1.0
   40    42   -44    51   2.61350 -1.0 2.0
   40    42   -44    51   0.78400  1.0 3.0
   40    42    44    53   0.50950  1.0 1.0
   40    42    44    53   0.56650 -1.0 2.0
   40    42    44    53   0.34050  1.0 3.0
   40    42    45    46   7.00000 -1.0 2.0
   40    42    45    55   7.00000 -1.0 2.0
   42    40    68    64  -1.18350  1.0 1.0
   42    40    68    64   1.45950 -1.0 2.0
   42    40    68    69   1.00000 -1.0 2.0
   42    44    51    52   7.00000 -1.0 2.0
   42    44    51    62   7.00000 -1.0 2.0
   42    44    53    54  -0.66100  1.0 1.0
   42    44    53    54   1.20850 -1.0 2.0
   42    44    53    54  -0.36000  1.0 3.0
   42    45    55    56   7.00000 -1.0 2.0
   42    45   -55    64   7.00000 -1.0 2.0
   44    42    45    46   7.00000 -1.0 2.0
   44    42    45    55   7.00000 -1.0 2.0
   44    51   -62    37  -1.18350  1.0 1.0
   44    51   -62    37   1.45950 -1.0 2.0
   44    51    62    63   1.00000 -1.0 2.0
   51    44    53    54  -0.66100  1.0 1.0
   51    44    53    54   1.20850 -1.0 2.0
   51    44    53    54  -0.36000  1.0 3.0
   52    51    62    37   0.93700 -1.0 2.0
   52    51    62    63   0.00000  1.0 1.0
   62    37   -40    42   7.00000 -1.0 2.0
   62    37    40    68   7.00000 -1.0 2.0
   53    44    51    52   7.00000 -1.0 2.0
   53    44    51    62   7.00000 -1.0 2.0
   45    42    44    51   0.28850  1.0 1.0
   45    42    44    51   2.61350 -1.0 2.0
   45    42    44    51   0.78400  1.0 3.0
   45    42    44    53   0.50950  1.0 1.0
   45    42    44    53   0.56650 -1.0 2.0
   45    42    44    53   0.34050  1.0 3.0
   45    55    64    65   7.00000 -1.0 2.0
   45    55    64    68   7.00000 -1.0 2.0
   46    45    55    56   7.00000 -1.0 2.0
   46    45    55    64   7.00000 -1.0 2.0
   55    64   -68    40  -1.18350  1.0 1.0
   55    64   -68    40   1.45950 -1.0 2.0
   55    64    68    69   1.00000 -1.0 2.0
   56    55    64    65   7.00000 -1.0 2.0
   56    55    64    68   7.00000 -1.0 2.0
   65    64    68    40   1.50000 -1.0 2.0
   65    64    68    69  -0.11900  1.0 1.0
   65    64    68    69   0.76850 -1.0 2.0
   65    64    68    69   0.14100  1.0 3.0
   68    40    42    44  -0.18600  1.0 3.0
   68    40   -42    45  -0.18600  1.0 3.0
   38    33    37    40  -0.51250  1.0 1.0
   38    33    37    40  -0.88800 -1.0 2.0
   38    33    37    40   0.08850  1.0 3.0
   38    33    37    62   0.09700  1.0 1.0
   38    33    37    62   0.15600 -1.0 2.0
   38    33    37    62  -0.50800  1.0 3.0
   38    33    59    49   0.11950  1.0 1.0
   38    33    59    49   0.20300 -1.0 2.0
   38    33    59    49  -0.70800  1.0 3.0
   38    33    59    60  -0.09450  1.0 1.0
   38    33    59    60  -1.12950 -1.0 2.0
   38    33    59    60   0.54000  1.0 3.0
   38    33    59    61  -0.11250  1.0 3.0
   38    41    43    47   3.62500 -1.0 2.0
   38    41   -43    49   3.62500 -1.0 2.0
   38    41    70    66   3.62500 -1.0 2.0
   38    41    70    71   3.62500 -1.0 2.0
   39    38    41    43   1.05000 -1.0 2.0
   39    38    41    70   1.05000 -1.0 2.0
   41    43    47    48   3.62500 -1.0 2.0
   41    43    47    57   3.62500 -1.0 2.0
   41    43    49    50   1.05000 -1.0 2.0
   41    43    49    59   2.26350  1.0 1.0
   41    43    49    59   0.76750 -1.0 2.0
   41    43    49    59   0.22500  1.0 3.0
   41    70    71    72   0.84100 -1.0 2.0
   43    41    70    66   3.62500 -1.0 2.0
   43    41    70    71   3.62500 -1.0 2.0
   43    47    57    58   3.62500 -1.0 2.0
   43    47   -57    66   3.62500 -1.0 2.0
   43    49   -59    33   0.05850 -1.0 2.0
   43    49   -59    33   0.17250  1.0 3.0
   43    49    59    60   0.65300  1.0 1.0
   43    49    59    60  -0.03850 -1.0 2.0
   43    49    59    60   0.33900  1.0 3.0
   43    49    59    61   0.00000  1.0 1.0
   47    43    49    50   1.05000 -1.0 2.0
   47    43    49    59   2.26350  1.0 1.0
   47    43    49    59   0.76750 -1.0 2.0
   47    43    49    59   0.22500  1.0 3.0
   47    57    66    67   3.62500 -1.0 2.0
   47    57    66    70   3.62500 -1.0 2.0
   48    47    57    58   3.62500 -1.0 2.0
   48    47    57    66   3.62500 -1.0 2.0
   57    66   -70    41   3.62500 -1.0 2.0
   57    66    70    71   3.62500 -1.0 2.0
   58    57    66    67   3.62500 -1.0 2.0
   58    57    66    70   3.62500 -1.0 2.0
   66    70    71    72   0.84100 -1.0 2.0
   67    66    70    41   3.62500 -1.0 2.0
   67    66    70    71   3.62500 -1.0 2.0
   70    41   -43    47   3.62500 -1.0 2.0
   70    41    43    49   3.62500 -1.0 2.0
   49    43    47    48   3.62500 -1.0 2.0
   49    43    47    57   3.62500 -1.0 2.0
   50    49    59    33   0.30150 -1.0 2.0
   50    49    59    60   0.30150 -1.0 2.0
   50    49    59    61   0.00000  1.0 1.0
   59    33    37    40   0.09850  1.0 1.0
   59    33    37    40   0.15250 -1.0 2.0
   59    33    37    40  -0.50650  1.0 3.0
   59    33    37    62   0.09700  1.0 1.0
   59    33    37    62   0.15600 -1.0 2.0
   59    33    37    62  -0.50800  1.0 3.0
   59    33    38    39   0.30150 -1.0 2.0
   59    33   -38    41   0.05850 -1.0 2.0
   59    33   -38    41   0.17250  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
   35    30    34    36  10.50000 -1.0 2.0
   33    62    37    40   1.10000 -1.0 2.0
   42    68    40    37   1.10000 -1.0 2.0
   40    44    42    45   1.10000 -1.0 2.0
   42    53    44    51   1.10000 -1.0 2.0
   62    52    51    44   1.10000 -1.0 2.0
   37    51    62    63  10.50000 -1.0 2.0
   55    46    45    42   1.10000 -1.0 2.0
   45    56    55    64   1.10000 -1.0 2.0
   68    65    64    55   1.10000 -1.0 2.0
   40    64    68    69  10.50000 -1.0 2.0
   33    41    38    39  10.50000 -1.0 2.0
   43    70    41    38   4.00000 -1.0 2.0
   47    49    43    41   4.00000 -1.0 2.0
   57    48    47    43   1.10000 -1.0 2.0
   66    58    57    47   4.00000 -1.0 2.0
   70    67    66    57   1.10000 -1.0 2.0
   66    71    70    41   4.00000 -1.0 2.0
   43    59    49    50  10.50000 -1.0 2.0
END
