* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    130    219     389
    1     0 S   NP   _N1_     1    31.98621    89.76602   -17.32578
    2     1 S   H    _HN1     2     1.02892   104.16662   120.34290
    3     1 S   H    _H1_     3     1.02776    45.93845    19.84038
    4     1 S   H    _H2_     4     1.03343   145.35620   -30.09250
    5     1 S   CT   _CA1     5     1.50704    70.25431  -131.55076
    6     5 S   HC   _HA1     6     1.09681   104.61196    79.28419
    7     5 S   CO3  _C1_     7     1.54153   111.36790   -36.76321
    8     7 S   O2Z  _O11     8     1.26588   113.91298    61.10330
    9     7 S   O2Z  _O12     9     1.26049   116.69706  -118.25714
   10     5 S   CT   _CB1    10     1.52745   106.50667  -165.32614
   11    10 S   HC   HB11    11     1.09670   108.51965   -47.84646
   12    10 S   HC   HB12    12     1.09663   109.98341    68.09553
   13    10 S   CT   _CG1    13     1.53278   114.49830  -168.49051
   14    13 S   HC   HG11    14     1.09458   111.63182   -80.34367
   15    13 S   HC   HG12    15     1.09568   110.88629    39.98528
   16    13 S   C    _CD1    16     1.51673   109.15911   158.84252
   17    16 S   O    _OE1    17     1.22819   121.83882  -109.93008
   18    16 S   N    _N2_    18     1.38425   112.79157    67.59064
   19    18 S   H    _HN2    19     1.01558   119.04314    10.44747
   20    18 S   CT1  _CA2    20     1.46375   123.30328  -164.30099
   21    20 S   HC   _HA2    21     1.09735   109.12515     4.87725
   22    20 S   C    _C2_    22     1.53270   109.39413  -111.63052
   23    22 S   O    _O2_    23     1.23052   122.15119  -144.50415
   24    20 S   CT   _CB2    32     1.54011   110.68040   125.66544
   25    24 S   HC   HB21    33     1.09252   108.31385    65.38145
   26    24 S   HC   HB22    34     1.09491   110.46403  -176.40457
   27    22 S   N    _N3_    24     1.38476   113.64032    42.82895
   28    27 S   H    _HN3    25     1.01500   119.01118     0.13706
   29    24 S   S    _SG2    35     1.83621   110.68344   -55.89815
   30    27 S   CT   _CA3    26     1.45418   123.19686   175.87968
   31    30 S   HC   HA31    27     1.09544   108.94101    29.92036
   32    30 S   HC   HA32    28     1.09492   107.18511   146.80564
   33    29 S   CT   _C23    36     1.85868   103.51982   163.53872
   34    33 S   OM   _O39    37     1.32049   108.61392    72.04225
   35    30 S   CO3  _C3_    29     1.52918   113.34901   -93.40535
   36    35 S   O2Z  _O31    30     1.26384   115.48934   -44.77143
   37    35 S   O2Z  _O32    31     1.26377   114.95155   136.26403
   38    33 S   CO4  _C22    38     1.52407   108.05226   -46.44802
   39    38 S   O    _O38    39     1.23233   124.84225   105.79101
   40    33 S   CT   _C14    51     1.59682   113.59950  -165.25611
   41    40 S   HC   _H3_    52     1.10644   104.83426  -170.60188
   42    38 S   CM   _C17    40     1.48969   115.39364   -71.95302
   43    40 S   CM   _C12    53     1.58323   112.29004   -55.86990
   44    42 S   CM   _C18    41     1.34157   116.60264   144.69548
   45    44 S   HC   _H6_    42     1.08456   123.05190    -1.68609
   46    43 S   CO4  _C13    54     1.50456   112.74349   -91.99683
   47    46 S   O    _O34    55     1.22694   122.74227   -19.11590
   48    44 S   CO4  _C19    43     1.48053   120.33845   177.60240
   49    48 S   O    _O37    44     1.22606   121.11766   177.50817
   50    46 S   CA   _C8_    56     1.46710   118.41253   159.98925
   51    48 S   CM   _C20    45     1.47935   117.54149    -3.64658
   52    51 S   HC   _H7_    46     1.08400   117.40013  -176.78740
   53    50 S   CA   _C9_    57     1.38725   118.45757    20.58036
   54    51 S   CM   _C21    47     1.33892   120.85800     3.30441
   55    53 S   CA   _C4_    58     1.40236   120.36710   178.33446
   56    55 S   HA   _H4_    59     1.08682   120.53790  -179.88809
   57    53 S   CO4  _C10    68     1.46962   120.06687    -0.38359
   58    57 S   O    _O33    69     1.23038   118.19094   162.19346
   59    42 S   CM   _C16    48     1.46117   120.71819   -36.39408
   60    55 S   CA   _C5_    60     1.39300   119.57045     0.39167
   61    43 S   CMA  _C11    70     1.36303   126.49815    89.67333
   62    61 S   OM   _O40    71     1.26573   130.72854     0.33338
   63    54 S   OH   _O36    72     1.38427   118.68788   179.63523
   64    63 S   HO   _H8_    73     0.97584   107.63579   175.06108
   65    59 S   CMA  _C15    49     1.36726   120.30005     3.79999
   66    65 S   OM   _O35    50     1.26953   128.68189  -167.57039
   67    60 S   CA   _C6_    61     1.38999   120.70833    -0.27695
   68    67 S   HA   _H5_    62     1.08647   120.31367  -180.00000
   69    60 S   OH   _O42    66     1.36626   121.06835   179.77794
   70    69 S   HO   _H10    67     0.97250   108.58502    -0.19584
   71    50 S   CA   _C7_    63     1.40392   122.13985  -160.99145
   72    71 S   OH   _O41    64     1.36936   123.19977     1.80819
   73    72 S   HO   _H9_    65     0.97462   108.58788    -1.52572
  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   9   5   4   3
  13   7   2   1   1  11   4  13   6  10  12   8   4  11   4   6
   3  12   6   3  11   5  10   4   5   2   4   6   2   1   2   1
   1   1   6   3   2   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    65    40    41    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    44    59    65    66    40    41    43    46    61  
   38    39    42    65    40    41    43  
   36    37  
   37  
    0  
   39    42    44    45    48    54    59    65    40    41    43  
   42    44    59    40  
   41    43    46    47    50    57    61    62    42    54    59    65    66  
   43    46    61    59    65    66  
   44    45    48    49    51    54    59    65    66    63  
   46    47    50    53    71    57    58    61    62    59    65    66  
   45    48    49    51    52    54    59    65  
   48    49    51    59  
   47    50    53    55    67    71    72    57    61    62    65  
   50    53    71    61  
   49    51    52    54    59    63  
   51    52    54  
   53    55    56    60    67    68    71    72    73    57    58    61  
   52    54    59    65    63    64  
   54    59    63  
   55    56    60    67    71    72    69    57    58    61    62  
   59    65    66    63    64  
   56    60    67    68    71    69    70    57    58    61  
   60    67    69    57  
   58    61    62    60    71  
   61    62  
   65    66    63    64  
   67    68    71    72    69    70  
   62    65  
    0  
   64    65  
    0  
   66  
    0  
   68    71    72    73    69    70  
   71    72    69  
   70    71  
    0  
   72    73  
   73  
    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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   62   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   63   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   66   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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   570.000  1.307
   33    38   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    42   320.000  1.462
   42    44   549.000  1.340
   42    59   380.000  1.444
   44    45   340.000  1.080
   44    48   320.000  1.462
   48    49   570.000  1.229
   48    51   320.000  1.462
   51    52   340.000  1.080
   51    54   549.000  1.340
   54    59   380.000  1.444
   54    63   510.000  1.338
   59    65   465.000  1.376
   65    66   745.000  1.250
   65    40   270.000  1.512
   40    41   340.000  1.090
   40    43   317.000  1.510
   43    46   320.000  1.462
   43    61   465.000  1.376
   46    47   570.000  1.229
   46    50   310.000  1.470
   50    53   469.000  1.400
   50    71   469.000  1.400
   53    55   469.000  1.400
   53    57   310.000  1.470
   55    56   367.000  1.080
   55    60   469.000  1.400
   60    67   469.000  1.400
   60    69   450.000  1.364
   67    68   367.000  1.080
   67    71   469.000  1.400
   71    72   450.000  1.364
   72    73   553.000  0.945
   69    70   553.000  0.945
   57    58   570.000  1.229
   57    61   270.000  1.476
   61    62   745.000  1.250
   63    64   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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  114.68000
   29    33    38    75.00000  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    42    65.00000  118.62400
   33    40    65    70.00000  112.02700
   33    40    41    37.50000  110.70000
   33    40    43    70.00000  112.02700
   38    33    34    90.00000  108.74100
   38    42    44    65.00000  118.96000
   38    42    59    65.00000  118.96000
   42    38    39    80.00000  123.72100
   42    44    45    35.00000  120.00000
   42    44    48    65.00000  118.96000
   42    59    54    70.00000  123.01800
   42    59    65    70.00000  117.34000
   44    48    49    80.00000  123.72100
   44    48    51    65.00000  118.65900
   48    44    45    40.00000  117.72500
   48    51    52    40.00000  117.72500
   48    51    54    65.00000  118.96000
   51    48    49    80.00000  123.72100
   51    54    59    70.00000  123.01800
   51    54    63    80.00000  121.38400
   54    51    52    35.00000  120.00000
   54    59    65    70.00000  117.34000
   54    63    64    70.00000  107.45700
   59    42    44    70.00000  123.01800
   59    65    66    65.00000  137.10300
   59    65    40    65.00000  122.18000
   65    40    41    45.00000  110.52000
   65    40    43    70.00000  110.12100
   40    33    34    50.00000  109.50000
   40    33    38    63.00000  111.10000
   40    65    66    85.00000  112.85300
   40    43    46    65.00000  116.34900
   40    43    61    70.00000  124.00000
   43    40    41    35.00000  109.50000
   43    46    47    80.00000  123.72100
   43    46    50    65.00000  117.02400
   43    61    57    65.00000  114.61000
   43    61    62    65.00000  137.10300
   46    50    53    60.00000  119.52600
   46    50    71    60.00000  119.52600
   50    46    47    75.00000  123.78400
   50    53    55    63.00000  120.00000
   50    53    57    60.00000  119.52600
   50    71    67    63.00000  120.00000
   50    71    72    70.00000  120.00000
   53    55    56    35.00000  120.00000
   53    55    60    63.00000  120.00000
   53    57    58    75.00000  123.78400
   53    57    61    60.00000  117.44000
   55    60    67    63.00000  120.00000
   55    60    69    70.00000  120.00000
   60    55    56    35.00000  120.00000
   60    67    68    35.00000  120.00000
   60    67    71    63.00000  120.00000
   60    69    70    35.00000  113.00000
   67    71    72    70.00000  120.00000
   71    50    53    63.00000  120.00000
   71    67    68    35.00000  120.00000
   71    72    73    35.00000  113.00000
   69    60    67    70.00000  120.00000
   57    53    55    60.00000  119.52600
   57    61    62    85.00000  116.28000
   61    43    46    60.00000  125.92000
   61    57    58    80.00000  120.81000
   63    54    59    80.00000  121.38400
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    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    65   0.56750  1.0 1.0
   29    33    40    65  -0.07550 -1.0 2.0
   29    33    40    65   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.56750  1.0 1.0
   29    33    40    43  -0.07550 -1.0 2.0
   29    33    40    43   0.20000  1.0 3.0
   33    38    42    44  -0.33500  1.0 1.0
   33    38    42    44   1.06600 -1.0 2.0
   33    38    42    44  -0.14000  1.0 3.0
   33    38    42    59  -0.33500  1.0 1.0
   33    38    42    59   1.06600 -1.0 2.0
   33    38    42    59  -0.14000  1.0 3.0
   33    40    43    46   0.09700  1.0 1.0
   33    40    43    46   0.15600 -1.0 2.0
   33    40    43    46  -0.50800  1.0 3.0
   33    40    43    61   0.09850  1.0 1.0
   33    40    43    61   0.15250 -1.0 2.0
   33    40    43    61  -0.50650  1.0 3.0
   34    33    38    39   0.30150 -1.0 2.0
   34    33    38    42   0.65300  1.0 1.0
   34    33    38    42  -0.03850 -1.0 2.0
   34    33    38    42   0.33900  1.0 3.0
   34    33    40    65   0.61850  1.0 1.0
   34    33    40    65  -0.22750 -1.0 2.0
   34    33    40    65   0.15300  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    43   0.61850  1.0 1.0
   34    33    40    43  -0.22750 -1.0 2.0
   34    33    40    43   0.15300  1.0 3.0
   38    33    40    65  -0.98800  1.0 1.0
   38    33    40    65   0.48800 -1.0 2.0
   38    33    40    65   0.76800  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    43  -0.98800  1.0 1.0
   38    33    40    43   0.48800 -1.0 2.0
   38    33    40    43   0.76800  1.0 3.0
   38    42    44    45   7.00000 -1.0 2.0
   38    42    44    48   7.00000 -1.0 2.0
   38    42    59    54  -0.18600  1.0 3.0
   38    42   -59    65  -0.18600  1.0 3.0
   39    38    42    44   1.00000 -1.0 2.0
   39    38    42    59   1.00000 -1.0 2.0
   42    44    48    49   1.00000 -1.0 2.0
   42    44    48    51  -1.18350  1.0 1.0
   42    44    48    51   1.45950 -1.0 2.0
   42    59    65    66   7.00000 -1.0 2.0
   42    59    65    40   7.00000 -1.0 2.0
   44    42    59    54   0.28850  1.0 1.0
   44    42    59    54   2.61350 -1.0 2.0
   44    42    59    54   0.78400  1.0 3.0
   44    42    59    65   0.28850  1.0 1.0
   44    42    59    65   2.61350 -1.0 2.0
   44    42    59    65   0.78400  1.0 3.0
   44    48    51    52   0.93700 -1.0 2.0
   44    48   -51    54  -1.18350  1.0 1.0
   44    48   -51    54   1.45950 -1.0 2.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    51   0.93700 -1.0 2.0
   48    51    54    59   7.00000 -1.0 2.0
   48    51    54    63   7.00000 -1.0 2.0
   49    48    51    52   0.00000  1.0 1.0
   49    48    51    54   1.00000 -1.0 2.0
   51    54   -59    42   0.28850  1.0 1.0
   51    54   -59    42   2.61350 -1.0 2.0
   51    54   -59    42   0.78400  1.0 3.0
   51    54    59    65   0.28850  1.0 1.0
   51    54    59    65   2.61350 -1.0 2.0
   51    54    59    65   0.78400  1.0 3.0
   51    54    63    64  -0.66100  1.0 1.0
   51    54    63    64   1.20850 -1.0 2.0
   51    54    63    64  -0.36000  1.0 3.0
   52    51    54    59   7.00000 -1.0 2.0
   52    51    54    63   7.00000 -1.0 2.0
   54    59    65    66   7.00000 -1.0 2.0
   54    59    65    40   7.00000 -1.0 2.0
   59    42    44    45   7.00000 -1.0 2.0
   59    42   -44    48   7.00000 -1.0 2.0
   59    54    63    64  -0.66100  1.0 1.0
   59    54    63    64   1.20850 -1.0 2.0
   59    54    63    64  -0.36000  1.0 3.0
   59    65   -40    33   0.09850  1.0 1.0
   59    65   -40    33   0.15250 -1.0 2.0
   59    65   -40    33  -0.50650  1.0 3.0
   59    65    40    41   0.00000  1.0 1.0
   59    65    40    43  -0.28300  1.0 1.0
   59    65    40    43   0.26700 -1.0 2.0
   59    65    40    43  -0.63300  1.0 3.0
   65    40    43    46   0.09700  1.0 1.0
   65    40    43    46   0.15600 -1.0 2.0
   65    40    43    46  -0.50800  1.0 3.0
   65    40    43    61  -0.28300  1.0 1.0
   65    40    43    61   0.26700 -1.0 2.0
   65    40    43    61  -0.63300  1.0 3.0
   66    65    40    33   0.09700  1.0 1.0
   66    65    40    33   0.15600 -1.0 2.0
   66    65    40    33  -0.50800  1.0 3.0
   66    65    40    41   0.00000  1.0 1.0
   66    65    40    43   0.09700  1.0 1.0
   66    65    40    43   0.15600 -1.0 2.0
   66    65    40    43  -0.50800  1.0 3.0
   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
   40    43    46    47  -0.64400  1.0 1.0
   40    43    46    47   0.26850 -1.0 2.0
   40    43    46    50   1.50000 -1.0 2.0
   40    43    61    57   7.00000 -1.0 2.0
   40    43    61    62   7.00000 -1.0 2.0
   41    40    43    46   0.15000  1.0 3.0
   41    40    43    61   0.00000  1.0 1.0
   43    46    50    53  -0.11500  1.0 1.0
   43    46    50    53   1.10450 -1.0 2.0
   43    46    50    53  -0.48050  1.0 3.0
   43    46    50    71  -0.11500  1.0 1.0
   43    46    50    71   1.10450 -1.0 2.0
   43    46    50    71  -0.48050  1.0 3.0
   46    43    61    57   7.00000 -1.0 2.0
   46    43    61    62   7.00000 -1.0 2.0
   46    50    53    55   3.62500 -1.0 2.0
   46    50   -53    57   3.62500 -1.0 2.0
   46    50    71    67   3.62500 -1.0 2.0
   46    50    71    72   3.62500 -1.0 2.0
   47    46    50    53   1.05000 -1.0 2.0
   47    46    50    71   1.05000 -1.0 2.0
   50    53    55    56   3.62500 -1.0 2.0
   50    53    55    60   3.62500 -1.0 2.0
   50    53    57    58   1.05000 -1.0 2.0
   50    53    57    61  -0.11500  1.0 1.0
   50    53    57    61   1.10450 -1.0 2.0
   50    53    57    61  -0.48050  1.0 3.0
   50    71    72    73   0.84100 -1.0 2.0
   53    50    71    67   3.62500 -1.0 2.0
   53    50    71    72   3.62500 -1.0 2.0
   53    55   -60    67   3.62500 -1.0 2.0
   53    55    60    69   3.62500 -1.0 2.0
   53    57   -61    43  -1.65800  1.0 1.0
   53    57   -61    43   0.77650 -1.0 2.0
   53    57    61    62   1.50000 -1.0 2.0
   55    53    57    58   1.05000 -1.0 2.0
   55    53    57    61  -0.11500  1.0 1.0
   55    53    57    61   1.10450 -1.0 2.0
   55    53    57    61  -0.48050  1.0 3.0
   55    60    67    68   3.62500 -1.0 2.0
   55    60    67    71   3.62500 -1.0 2.0
   55    60    69    70   0.84100 -1.0 2.0
   56    55    60    67   3.62500 -1.0 2.0
   56    55    60    69   3.62500 -1.0 2.0
   60    67   -71    50   3.62500 -1.0 2.0
   60    67    71    72   3.62500 -1.0 2.0
   67    60    69    70   0.84100 -1.0 2.0
   67    71    72    73   0.84100 -1.0 2.0
   68    67    71    50   3.62500 -1.0 2.0
   68    67    71    72   3.62500 -1.0 2.0
   71    50   -53    55   3.62500 -1.0 2.0
   71    50    53    57   3.62500 -1.0 2.0
   69    60    67    68   3.62500 -1.0 2.0
   69    60    67    71   3.62500 -1.0 2.0
   57    53    55    56   3.62500 -1.0 2.0
   57    53    55    60   3.62500 -1.0 2.0
   58    57    61    43   1.00000 -1.0 2.0
   58    57    61    62  -0.11900  1.0 1.0
   58    57    61    62   0.76850 -1.0 2.0
   58    57    61    62   0.14100  1.0 3.0
   61    43    46    47   1.00000 -1.0 2.0
   61    43   -46    50  -1.65800  1.0 1.0
   61    43   -46    50   0.77650 -1.0 2.0
   63    54    59    42   0.50950  1.0 1.0
   63    54    59    42   0.56650 -1.0 2.0
   63    54    59    42   0.34050  1.0 3.0
   63    54    59    65   0.50950  1.0 1.0
   63    54    59    65   0.56650 -1.0 2.0
   63    54    59    65   0.34050  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
   36    30    35    37  10.50000 -1.0 2.0
   33    42    38    39  10.50000 -1.0 2.0
   38    59    42    44   1.10000 -1.0 2.0
   48    45    44    42   1.10000 -1.0 2.0
   44    51    48    49  10.50000 -1.0 2.0
   48    52    51    54   1.10000 -1.0 2.0
   59    63    54    51   1.10000 -1.0 2.0
   42    54    59    65   1.10000 -1.0 2.0
   40    66    65    59   1.10000 -1.0 2.0
   40    46    43    61   1.10000 -1.0 2.0
   43    50    46    47  10.50000 -1.0 2.0
   53    71    50    46   4.00000 -1.0 2.0
   55    57    53    50   4.00000 -1.0 2.0
   60    56    55    53   1.10000 -1.0 2.0
   67    69    60    55   4.00000 -1.0 2.0
   71    68    67    60   1.10000 -1.0 2.0
   67    72    71    50   4.00000 -1.0 2.0
   53    61    57    58  10.50000 -1.0 2.0
   57    62    61    43   1.10000 -1.0 2.0
END
