* LIGAND DATABASE FILE (OPLS2005)
*
001      75    75    134    189     381
    1     0 S   NP   _N1_     1    29.18581    95.40934   -24.35138
    2     1 S   H    _HN1     2     1.02949    78.80519     2.96762
    3     1 S   H    _H1_     3     1.02831    29.06283   169.38225
    4     1 S   H    _H2_     4     1.02787   111.61758  -102.53526
    5     1 S   CT   _CA1     5     1.50108   128.83026   110.25888
    6     5 S   HC   _HA1     6     1.09572   105.19405    85.73732
    7     5 S   CO3  _C1_     7     1.53783   112.46620   -34.51628
    8     7 S   O2Z  _O11     8     1.26372   114.99908   -42.49210
    9     7 S   O2Z  _O12     9     1.26237   114.94404   136.64251
   10     5 S   CT   _CB1    10     1.53076   107.43372  -156.25600
   11    10 S   HC   HB11    11     1.09834   109.38594   -49.50768
   12    10 S   HC   HB12    12     1.09815   110.45382    67.10631
   13    10 S   CT   _CG1    13     1.53001   112.59659  -170.46603
   14    13 S   HC   HG11    14     1.09577   110.65971   -65.74594
   15    13 S   HC   HG12    15     1.09668   109.77749    53.50943
   16    13 S   C    _CD1    16     1.51771   112.15796   173.98686
   17    16 S   O    _OE1    17     1.22743   123.25653     8.14748
   18    16 S   N    _N2_    18     1.38667   111.74170  -172.04616
   19    18 S   H    _HN2    19     1.01585   118.98618     1.67257
   20    18 S   CT1  _CA2    20     1.46066   123.32243   177.47323
   21    20 S   HC   _HA2    21     1.09605   109.28987     3.63227
   22    20 S   C    _C2_    22     1.53579   108.99742  -111.43183
   23    22 S   O    _O2_    23     1.23068   122.16346  -149.53549
   24    20 S   CT   _CB2    32     1.53327   111.76873   125.98441
   25    24 S   HC   HB21    33     1.09650   109.74888    62.86783
   26    24 S   HC   HB22    34     1.09579   110.73159  -179.80820
   27    22 S   N    _N3_    24     1.38291   113.79136    38.03035
   28    27 S   H    _HN3    25     1.01574   119.59515    -3.48088
   29    24 S   S    _SG2    35     1.82921   114.85223   -57.25371
   30    27 S   CT   _CA3    26     1.45285   123.25811   177.02264
   31    30 S   HC   HA31    27     1.09548   107.54523   -63.89131
   32    30 S   HC   HA32    28     1.09555   107.95763    52.56095
   33    29 S   CT   _C17    36     1.81880    99.82327   -61.43874
   34    33 S   HC   _H20    37     1.09091   108.80355    69.51016
   35    33 S   HC   _H21    38     1.09270   107.68693   -50.22039
   36    30 S   CO3  _C3_    29     1.52970   114.03297   174.54023
   37    36 S   O2Z  _O31    30     1.26384   116.04626    -0.24629
   38    36 S   O2Z  _O32    31     1.26421   114.42299   179.80021
   39    33 S   C    _C16    39     1.52781   111.31407  -171.03325
   40    39 S   O    _O34    40     1.23315   121.51385   -18.55402
   41    39 S   N    _N4_    41     1.40803   115.80496   160.86988
   42    41 S   CA   _C11    42     1.43295   122.15825    11.62227
   43    41 S   CT   _C12    62     1.48677   121.53380  -173.32547
   44    43 S   HC   _H3_    63     1.09873   107.95424   173.05426
   45    42 S   CA   _C10    43     1.41701   119.26234  -108.18551
   46    43 S   CT   _C13    64     1.53345   112.02981   -70.60402
   47    46 S   HC   _H12    65     1.09426   111.98138    62.19696
   48    46 S   HC   _H13    66     1.09276   110.88451   -57.99549
   49    46 S   HC   _H14    67     1.09507   110.95685  -177.27602
   50    43 S   CT   _C14    68     1.54024   112.62744    54.61303
   51    50 S   HC   _H15    69     1.09567   111.23393   -77.50865
   52    50 S   HC   _H16    70     1.09488   110.64382    42.80318
   53    45 S   CA   _C9_    44     1.40291   119.37522   179.50584
   54    53 S   HA   _H11    45     1.08765   120.43154   179.58599
   55    45 S   CT   _C18    58     1.50431   122.62473     0.20936
   56    55 S   HC   _H22    59     1.09362   110.36024   -75.66932
   57    55 S   HC   _H23    60     1.09432   110.75194    46.39823
   58    55 S   HC   _H24    61     1.09564   111.35973   164.75700
   59    50 S   OS   _O33    71     1.42983   108.87714   162.30135
   60    53 S   CA   _C8_    46     1.38979   120.77896    -1.49933
   61    60 S   HA   _H10    47     1.08618   120.07446  -179.03267
   62    59 S   CT   _C15    72     1.42125   111.66202  -179.90721
   63    62 S   HC   _H17    73     1.09324   108.35405   179.96574
   64    62 S   HC   _H18    74     1.09424   110.49273    61.07070
   65    62 S   HC   _H19    75     1.09422   110.49647   -61.12747
   66    60 S   CA   _C7_    48     1.39114   119.89314     0.87357
   67    66 S   HA   _H9_    49     1.08795   118.48939  -179.69545
   68    42 S   CA   _C6_    50     1.41759   120.73843    70.79122
   69    68 S   CT   _C5_    51     1.51535   123.85344     2.44809
   70    69 S   HC   _H7_    52     1.09699   108.51890  -121.56860
   71    69 S   HC   _H8_    53     1.09274   111.72528    -5.22232
   72    69 S   CT   _C4_    54     1.52501   113.00283   116.84570
   73    72 S   HC   _H4_    55     1.09466   111.38199   -55.62190
   74    72 S   HC   _H5_    56     1.09479   110.04733  -175.63475
   75    72 S   HC   _H6_    57     1.09471   111.73231    64.95349
  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   6   5   4   3
   7   4   3   2   1   1   9   3  17  19  12   8  11   7   3   2
   1   7   3   2  10   4   5   2   1   1   4   5   3   3   2   1
   1   6   2   7   6   5   4   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  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43  
   35    39    40    41  
   39    40    41  
   37    38  
   38  
    0  
   40    41    42    45    68    43    44    46    50  
   41    42    43  
   42    45    53    66    68    69    55    43    44    46    47    48    49    50    51    52    59  
   45    53    54    60    66    67    68    69    70    71    72    55    56    57    58    43    44    46    50  
   44    46    47    48    49    50    51    52    59    62    45    68  
   46    47    48    49    50    51    52    59  
   53    54    60    61    66    68    69    55    56    57    58  
   47    48    49    50    51    52    59  
   48    49    50  
   49    50  
   50  
   51    52    59    62    63    64    65  
   52    59    62  
   59    62  
   54    60    61    66    67    68    55    56    57    58  
   60    61    66    55  
   56    57    58    60    68  
   57    58  
   58  
    0  
   62    63    64    65  
   61    66    67    68    69  
   66    67    68  
   63    64    65  
   64    65  
   65  
    0  
   67    68    69    70    71    72  
   68    69  
   69    70    71    72    73    74    75  
   70    71    72    73    74    75  
   71    72    73    74    75  
   72    73    74    75  
   73    74    75  
   74    75  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   41   3.2500   0.1700  -0.031700   1.8100   1.6000   0.054801302  -1.445846770
   42   3.5500   0.0700  -0.038300   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5000   0.0660   0.010000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   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   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.522
   39    40   570.000  1.229
   39    41   490.000  1.335
   41    42   360.000  1.404
   41    43   337.000  1.449
   42    45   469.000  1.400
   42    68   469.000  1.400
   45    53   469.000  1.400
   45    55   317.000  1.510
   53    54   367.000  1.080
   53    60   469.000  1.400
   60    61   367.000  1.080
   60    66   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   317.000  1.510
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   43    44   340.000  1.090
   43    46   268.000  1.529
   43    50   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    59   320.000  1.410
   59    62   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    70.00000  112.33000
   33    39    40    80.00000  120.40000
   33    39    41    70.00000  116.60000
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    41    42    65.00000  121.96500
   39    41    43    50.00000  121.90000
   41    39    40    80.00000  122.90000
   41    42    45    70.00000  119.01900
   41    42    68    70.00000  119.01900
   41    43    44    35.00000  109.50000
   41    43    46    70.00000  110.72300
   41    43    50    70.00000  110.72300
   42    45    53    63.00000  120.00000
   42    45    55    70.00000  120.00000
   42    68    66    63.00000  120.00000
   42    68    69    70.00000  120.00000
   45    53    54    35.00000  120.00000
   45    53    60    63.00000  120.00000
   45    55    56    35.00000  109.50000
   45    55    57    35.00000  109.50000
   45    55    58    35.00000  109.50000
   53    60    61    35.00000  120.00000
   53    60    66    63.00000  120.00000
   60    53    54    35.00000  120.00000
   60    66    67    35.00000  120.00000
   60    66    68    63.00000  120.00000
   66    60    61    35.00000  120.00000
   66    68    69    70.00000  120.00000
   68    42    45    63.00000  120.00000
   68    66    67    35.00000  120.00000
   68    69    70    35.00000  109.50000
   68    69    71    35.00000  109.50000
   68    69    72    70.00000  112.17500
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    75    37.50000  110.70000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   55    45    53    70.00000  120.00000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   43    41    42    70.00000  121.06000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   43    46    49    37.50000  110.70000
   43    50    51    37.50000  110.70000
   43    50    52    37.50000  110.70000
   43    50    59    50.00000  109.50000
   46    43    44    37.50000  110.70000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   50    43    44    37.50000  110.70000
   50    43    46    58.35000  112.70000
   50    59    62    60.00000  109.50000
   52    50    51    33.00000  107.80000
   59    50    51    35.00000  109.50000
   59    50    52    35.00000  109.50000
   59    62    63    35.00000  109.50000
   59    62    64    35.00000  109.50000
   59    62    65    35.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.30150 -1.0 2.0
   29    33    39    41   0.00000  1.0 1.0
   33    39    41    42   0.76000  1.0 1.0
   33    39    41    42   4.11600 -1.0 2.0
   33    39    41    43   1.49850  1.0 1.0
   33    39    41    43   1.53950 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    41   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    41   0.00000  1.0 1.0
   39    41    42    45   1.00100  1.0 1.0
   39    41    42    45   0.85050 -1.0 2.0
   39    41    42    68   1.00100  1.0 1.0
   39    41    42    68   0.85050 -1.0 2.0
   39    41    43    44   0.00000  1.0 1.0
   39    41    43    46  -0.43950  1.0 1.0
   39    41    43    46  -0.08100 -1.0 2.0
   39    41    43    46   0.03350  1.0 3.0
   39    41    43    50  -0.43950  1.0 1.0
   39    41    43    50  -0.08100 -1.0 2.0
   39    41    43    50   0.03350  1.0 3.0
   40    39    41    42   0.04000 -1.0 2.0
   40    39    41    43   3.04450 -1.0 2.0
   41    42    45    53   3.62500 -1.0 2.0
   41    42    45    55   3.62500 -1.0 2.0
   41    42    68    66   3.62500 -1.0 2.0
   41    42    68    69   3.62500 -1.0 2.0
   41    43    46    47   0.15000  1.0 3.0
   41    43    46    48   0.15000  1.0 3.0
   41    43    46    49   0.15000  1.0 3.0
   41    43    50    51   0.15000  1.0 3.0
   41    43    50    52   0.15000  1.0 3.0
   41    43    50    59   1.12100  1.0 1.0
   41    43    50    59  -0.16500 -1.0 2.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    46   0.36200 -1.0 2.0
   42    41    43    50   0.36200 -1.0 2.0
   42    45    53    54   3.62500 -1.0 2.0
   42    45    53    60   3.62500 -1.0 2.0
   42    45    55    56   0.00000  1.0 1.0
   42    45    55    57   0.00000  1.0 1.0
   42    45    55    58   0.00000  1.0 1.0
   42    68    69    70   0.00000  1.0 1.0
   42    68    69    71   0.00000  1.0 1.0
   42    68    69    72   0.04150 -1.0 2.0
   45    42    68    66   3.62500 -1.0 2.0
   45    42    68    69   3.62500 -1.0 2.0
   45    53    60    61   3.62500 -1.0 2.0
   45    53   -60    66   3.62500 -1.0 2.0
   53    45    55    56   0.00000  1.0 1.0
   53    45    55    57   0.00000  1.0 1.0
   53    45    55    58   0.00000  1.0 1.0
   53    60    66    67   3.62500 -1.0 2.0
   53    60    66    68   3.62500 -1.0 2.0
   54    53    60    61   3.62500 -1.0 2.0
   54    53    60    66   3.62500 -1.0 2.0
   60    66   -68    42   3.62500 -1.0 2.0
   60    66    68    69   3.62500 -1.0 2.0
   61    60    66    67   3.62500 -1.0 2.0
   61    60    66    68   3.62500 -1.0 2.0
   66    68    69    70   0.00000  1.0 1.0
   66    68    69    71   0.00000  1.0 1.0
   66    68    69    72   0.04150 -1.0 2.0
   67    66    68    42   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   68    42   -45    53   3.62500 -1.0 2.0
   68    42    45    55   3.62500 -1.0 2.0
   68    69    72    73   0.43200  1.0 3.0
   68    69    72    74   0.43200  1.0 3.0
   68    69    72    75   0.43200  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74   0.15000  1.0 3.0
   70    69    72    75   0.15000  1.0 3.0
   71    69    72    73   0.15000  1.0 3.0
   71    69    72    74   0.15000  1.0 3.0
   71    69    72    75   0.15000  1.0 3.0
   55    45    53    54   3.62500 -1.0 2.0
   55    45    53    60   3.62500 -1.0 2.0
   43    41    42    45   0.81400  1.0 1.0
   43    41    42    45   1.55550 -1.0 2.0
   43    41    42    68   0.81400  1.0 1.0
   43    41    42    68   1.55550 -1.0 2.0
   43    50    59    62   0.06250  1.0 1.0
   43    50    59    62  -0.01100 -1.0 2.0
   43    50    59    62   0.28050  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    49   0.15000  1.0 3.0
   44    43    50    51   0.15000  1.0 3.0
   44    43    50    52   0.15000  1.0 3.0
   44    43    50    59   0.23400  1.0 3.0
   46    43    50    51   0.15000  1.0 3.0
   46    43    50    52   0.15000  1.0 3.0
   46    43    50    59   0.62750  1.0 1.0
   46    43    50    59  -0.30950 -1.0 2.0
   46    43    50    59   0.27300  1.0 3.0
   50    43    46    47   0.15000  1.0 3.0
   50    43    46    48   0.15000  1.0 3.0
   50    43    46    49   0.15000  1.0 3.0
   50    59    62    63   0.37050  1.0 3.0
   50    59    62    64   0.37050  1.0 3.0
   50    59    62    65   0.37050  1.0 3.0
   51    50    59    62   0.37050  1.0 3.0
   52    50    59    62   0.37050  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
   33    41    39    40  10.50000 -1.0 2.0
   43    39    41    42   1.00000 -1.0 2.0
   45    68    42    41   4.00000 -1.0 2.0
   53    55    45    42   4.00000 -1.0 2.0
   60    54    53    45   1.10000 -1.0 2.0
   66    61    60    53   1.10000 -1.0 2.0
   68    67    66    60   1.10000 -1.0 2.0
   66    69    68    42   4.00000 -1.0 2.0
END
