* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    128    189     361
    1     0 S   NP   _N1_     1    28.95568    96.46899   -24.82916
    2     1 S   H    _HN1     2     1.02949    71.09224     9.10077
    3     1 S   H    _H1_     3     1.02828    36.65740   177.63462
    4     1 S   H    _H2_     4     1.02787   113.24010   -93.34079
    5     1 S   CT   _CA1     5     1.50108   130.98759   110.09248
    6     5 S   HC   _HA1     6     1.09572   105.19465    95.38680
    7     5 S   CO3  _C1_     7     1.53786   112.49473   -24.86556
    8     7 S   O2Z  _O11     8     1.26372   115.00589   -41.99574
    9     7 S   O2Z  _O12     9     1.26240   114.95002   137.17318
   10     5 S   CT   _CB1    10     1.53081   107.42734  -146.60362
   11    10 S   HC   HB11    11     1.09834   109.37983   -49.55458
   12    10 S   HC   HB12    12     1.09812   110.44405    67.05832
   13    10 S   CT   _CG1    13     1.52994   112.60538  -170.51962
   14    13 S   HC   HG11    14     1.09578   110.65807   -65.87319
   15    13 S   HC   HG12    15     1.09671   109.75958    53.36017
   16    13 S   C    _CD1    16     1.51797   112.20184   173.84320
   17    16 S   O    _OE1    17     1.22732   123.27845     8.20717
   18    16 S   N    _N2_    18     1.38660   111.69278  -171.92627
   19    18 S   H    _HN2    19     1.01582   118.92664     1.76968
   20    18 S   CT1  _CA2    20     1.46197   123.38946   177.21632
   21    20 S   HC   _HA2    21     1.09736   109.34557     3.81434
   22    20 S   C    _C2_    22     1.53582   108.65031  -111.66262
   23    22 S   O    _O2_    23     1.23060   122.26169  -148.03078
   24    20 S   CT   _CB2    32     1.53295   111.59316   125.82216
   25    24 S   HC   HB21    33     1.09582   110.14324    56.27297
   26    24 S   HC   HB22    34     1.09511   110.17721   175.36667
   27    22 S   N    _N3_    24     1.38321   113.74262    39.41596
   28    27 S   H    _HN3    25     1.01574   119.60698    -3.24769
   29    24 S   S    _SG2    35     1.82564   111.64748   -64.72862
   30    27 S   CT   _CA3    26     1.45289   123.23705   177.17146
   31    30 S   HC   HA31    27     1.09548   107.50761   -64.77643
   32    30 S   HC   HA32    28     1.09556   107.99599    51.67369
   33    29 S   CT   _C18    36     1.82889    98.76466   179.14225
   34    33 S   F    F1__    37     1.36542   108.49513   -56.85094
   35    33 S   F    F2__    38     1.36536   108.50906    56.68247
   36    30 S   CO3  _C3_    29     1.52967   114.05771   173.67321
   37    36 S   O2Z  _O31    30     1.26379   116.06364    -0.61326
   38    36 S   O2Z  _O32    31     1.26426   114.41721   179.44680
   39    33 S   CA   _C15    39     1.51104   110.52688   179.92087
   40    39 S   CA   _C14    40     1.40504   120.21230   -89.43980
   41    40 S   HA   _H12    41     1.08883   119.79245    -0.39167
   42    40 S   CA   _C13    42     1.40006   121.84155   179.54500
   43    42 S   HA   _H11    43     1.08427   121.31453   179.96574
   44    42 S   C56A _C12    44     1.39379   116.75155    -0.10835
   45    44 S   C56B _C17    45     1.39174   123.31535    -0.04846
   46    39 S   CA   _C16    46     1.40817   119.99809    89.82048
   47    46 S   HA   _H13    47     1.08610   120.95708     0.38866
   48    45 S   N5B  _N6_    48     1.37612   110.93322  -179.95154
   49    48 S   CRA  _C11    49     1.31246   104.78748     0.02798
   50    44 S   NA   _N5_    50     1.37176   132.30301  -179.98022
   51    50 S   H    _H10    51     1.01079   126.39586    -0.03426
   52    49 S   S    _S1_    52     1.72634   128.09665  -179.89721
   53    52 S   CT   _C10    53     1.81851   101.02640    -1.08227
   54    53 S   HC   _H8_    54     1.09491   110.51249    55.75852
   55    53 S   HC   _H9_    55     1.09668   108.52201   -60.70259
   56    53 S   CA   _C9_    56     1.50852   111.50517   179.51061
   57    56 S   CA   _C5_    57     1.40668   122.62441   -89.88741
   58    57 S   CA   _C6_    58     1.40989   117.67557  -178.98992
   59    57 S   CT   _C4_    69     1.50578   121.32112    -1.70456
   60    59 S   HC   _H3_    70     1.09454   109.85755   -75.95684
   61    59 S   HC   _H4_    71     1.09396   111.15003    45.10089
   62    59 S   HC   _H5_    72     1.09425   112.43286   163.54668
   63    58 S   CA   _C7_    59     1.39377   119.61693    -1.56923
   64    63 S   HA   _H6_    60     1.08325   123.03638  -179.57896
   65    58 S   OS   _O33    64     1.37270   116.32898   178.24900
   66    63 S   CA   _C8_    61     1.38193   118.22197     0.63396
   67    66 S   HA   _H7_    62     1.08530   120.78266  -179.94766
   68    65 S   CT   _C19    65     1.42256   117.52351   179.96044
   69    68 S   HC   _H14    66     1.09429   107.72444  -179.96044
   70    68 S   HC   _H15    67     1.09493   111.14295    62.32511
   71    68 S   HC   _H16    68     1.09494   111.14025   -62.26327
   72    56 S   NB   _N4_    63     1.35847   114.64996    89.48017
  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
   9   4   3   2   1   1   9   8   4   8   3   8   7   4   1   5
   7   3   1   6   8   4   3  11  11  14   6   2   1   1   6   4
   5   2   1   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    46    47  
   35    39    40    46  
   39    40    46  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    48  
   41    42    43    44    45    46    47    50  
   42    43    44    46  
   43    44    45    46    48    49    50    51  
   44    45    50  
   45    46    47    48    49    50    51    52  
   46    47    48    49    50    51    52  
   47    48    49    50  
   48  
   49    50    51    52    53  
   50    51    52    53    54    55    56  
   51    52    53  
   52  
   53    54    55    56    57    72  
   54    55    56    57    58    66    72    59  
   55    56    57    72  
   56    57    72  
   57    58    63    66    67    72    65    59    60    61    62  
   58    63    64    66    72    65    68    59    60    61    62  
   63    64    66    67    72    65    68    69    70    71    59    60    61    62  
   60    61    62    63    65    72  
   61    62  
   62  
    0  
   64    66    67    72    65    68  
   66    67    72    65  
   68    69    70    71    66  
   67    72  
   72  
   69    70    71  
   70    71  
   71  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.2500   0.0620   0.362500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   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   3.5500   0.0700  -0.112600   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.181700   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.160700   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700  -0.329000   2.5000   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.198400   1.3810   1.2100   0.030040813   0.268726247
   44   3.5500   0.0700   0.229900   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700   0.498200   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700  -0.369600   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.209100   1.3810   1.2100   0.030040813   0.268726247
   48   3.2800   0.1700  -0.678700   1.8000   1.6000   0.001000000  -0.511443539
   49   3.5500   0.0700   0.631300   2.5000   1.7750   0.001000000  -0.843144165
   50   3.2500   0.1700  -0.625700   1.8000   1.6000   0.001000000  -0.511443539
   51   0.5000   0.0300   0.407200   0.9960   0.8600   0.030040813  -0.651083722
   52   3.6000   0.3550  -0.320000   2.0300   1.8000   0.025682759  -1.666211680
   53   3.5000   0.0660   0.162500   2.4950   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5500   0.0700   0.370000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.455000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700   0.392000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660  -0.017000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.447000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.155000   1.3810   1.2100   0.030040813   0.268726247
   65   2.9000   0.1400  -0.300000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5500   0.0700   0.473000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.012000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   3.2500   0.1700  -0.678000   1.8650   1.6500   0.001000000  -0.511443539
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   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    46   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   367.000  1.080
   42    44   469.000  1.400
   44    45   447.000  1.419
   44    50   428.000  1.380
   45    46   469.000  1.404
   45    48   425.000  1.391
   46    47   367.000  1.080
   48    49   488.000  1.335
   49    50   477.000  1.343
   49    52   245.000  1.755
   50    51   434.000  1.010
   52    53   222.000  1.810
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   317.000  1.510
   56    57   469.000  1.400
   56    72   483.000  1.339
   57    58   469.000  1.400
   57    59   317.000  1.510
   58    63   469.000  1.400
   58    65   450.000  1.364
   63    64   367.000  1.080
   63    66   469.000  1.400
   66    67   367.000  1.080
   66    72   483.000  1.339
   65    68   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   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    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    46    70.00000  120.00000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    63.00000  120.00000
   39    46    45    63.00000  120.00000
   39    46    47    35.00000  120.00000
   40    42    43    35.00000  120.00000
   40    42    44    85.00000  120.00000
   42    40    41    35.00000  120.00000
   42    44    45    85.00000  122.70000
   42    44    50    70.00000  132.80000
   44    42    43    35.00000  120.00000
   44    45    46    85.00000  116.20000
   44    45    48    80.00000  112.17400
   44    50    49    90.00000  105.79800
   44    50    51    35.00000  123.10000
   45    46    47    35.00000  120.00000
   45    48    49    95.00000  105.97700
   46    39    40    63.00000  120.00000
   48    45    46    60.00000  127.02500
   48    49    50    70.00000  120.00000
   48    49    52    70.00000  126.12900
   49    50    51    35.00000  120.00000
   49    52    53    85.00000   97.05500
   50    44    45    70.00000  104.40000
   52    49    50    70.00000  123.45500
   52    53    54    35.00000  109.50000
   52    53    55    35.00000  109.50000
   52    53    56    80.00000  109.48900
   53    56    57    70.00000  120.00000
   53    56    72    75.00000  115.74700
   55    53    54    33.00000  107.80000
   56    53    54    35.00000  109.50000
   56    53    55    35.00000  109.50000
   56    57    58    63.00000  120.00000
   56    57    59    70.00000  120.00000
   56    72    66    70.00000  117.00000
   57    58    63    63.00000  120.00000
   57    58    65    70.00000  120.00000
   57    59    60    35.00000  109.50000
   57    59    61    35.00000  109.50000
   57    59    62    35.00000  109.50000
   58    63    64    35.00000  120.00000
   58    63    66    63.00000  120.00000
   58    65    68    75.00000  111.00000
   63    66    67    35.00000  120.00000
   63    66    72    70.00000  124.00000
   66    63    64    35.00000  120.00000
   72    56    57    70.00000  124.00000
   72    66    67    35.00000  116.00000
   65    58    63    70.00000  120.00000
   65    68    69    35.00000  109.50000
   65    68    70    35.00000  109.50000
   65    68    71    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   59    57    58    70.00000  120.00000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    46  -0.16000  1.0 1.0
   29    33    39    46  -0.03200 -1.0 2.0
   29    33    39    46   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    46    45   3.62500 -1.0 2.0
   33    39    46    47   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    46   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    46   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    44   3.62500 -1.0 2.0
   40    39    46    45   3.62500 -1.0 2.0
   40    39    46    47   3.62500 -1.0 2.0
   40    42   -44    45   3.62500 -1.0 2.0
   40    42    44    50   3.62500 -1.0 2.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    44   3.62500 -1.0 2.0
   42    44    45    46   3.00000 -1.0 2.0
   42    44    45    48   3.62500 -1.0 2.0
   42    44    50    49   3.62500 -1.0 2.0
   42    44    50    51   1.52500 -1.0 2.0
   43    42    44    45   3.62500 -1.0 2.0
   43    42    44    50   3.62500 -1.0 2.0
   44    45   -46    39   3.50000 -1.0 2.0
   44    45    46    47   3.50000 -1.0 2.0
   44    45   -48    49   3.62500 -1.0 2.0
   45    44   -50    49   3.62500 -1.0 2.0
   45    44    50    51   1.52500 -1.0 2.0
   45    48   -49    50   3.62500 -1.0 2.0
   45    48    49    52   3.62500 -1.0 2.0
   46    39    40    41   3.62500 -1.0 2.0
   46    39   -40    42   3.62500 -1.0 2.0
   46    45    48    49   3.62500 -1.0 2.0
   48    45    46    39   3.62500 -1.0 2.0
   48    45    46    47   3.62500 -1.0 2.0
   48    49   -50    44   3.62500 -1.0 2.0
   48    49    50    51   2.32500 -1.0 2.0
   48    49    52    53   0.63150 -1.0 2.0
   49    52    53    54   0.24000  1.0 3.0
   49    52    53    55   0.24000  1.0 3.0
   49    52    53    56   0.00000  1.0 1.0
   50    44    45    46   3.00000 -1.0 2.0
   50    44   -45    48   3.62500 -1.0 2.0
   50    49    52    53   0.63150 -1.0 2.0
   52    49    50    44   3.62500 -1.0 2.0
   52    49    50    51   2.00000 -1.0 2.0
   52    53    56    57  -0.16000  1.0 1.0
   52    53    56    57  -0.03200 -1.0 2.0
   52    53    56    57   0.04500  1.0 3.0
   52    53    56    72   0.04300 -1.0 2.0
   53    56    57    58   3.62500 -1.0 2.0
   53    56    57    59   3.62500 -1.0 2.0
   53    56    72    66   3.62500 -1.0 2.0
   54    53    56    57   0.00000  1.0 1.0
   54    53    56    72   0.00000  1.0 1.0
   55    53    56    57   0.00000  1.0 1.0
   55    53    56    72   0.00000  1.0 1.0
   56    57    58    63   3.62500 -1.0 2.0
   56    57    58    65   3.62500 -1.0 2.0
   56    57    59    60   0.00000  1.0 1.0
   56    57    59    61   0.00000  1.0 1.0
   56    57    59    62   0.00000  1.0 1.0
   57    56    72    66   3.62500 -1.0 2.0
   57    58    63    64   3.62500 -1.0 2.0
   57    58   -63    66   3.62500 -1.0 2.0
   57    58    65    68   1.63200 -1.0 2.0
   58    57    59    60   0.00000  1.0 1.0
   58    57    59    61   0.00000  1.0 1.0
   58    57    59    62   0.00000  1.0 1.0
   58    63    66    67   3.62500 -1.0 2.0
   58    63    66    72   3.62500 -1.0 2.0
   58    65    68    69   0.08050  1.0 3.0
   58    65    68    70   0.08050  1.0 3.0
   58    65    68    71   0.08050  1.0 3.0
   63    58    65    68   1.63200 -1.0 2.0
   63    66   -72    56   3.62500 -1.0 2.0
   64    63    66    67   3.62500 -1.0 2.0
   64    63    66    72   3.62500 -1.0 2.0
   67    66    72    56   3.62500 -1.0 2.0
   72    56   -57    58   3.62500 -1.0 2.0
   72    56    57    59   3.62500 -1.0 2.0
   65    58    63    64   3.62500 -1.0 2.0
   65    58    63    66   3.62500 -1.0 2.0
   59    57    58    63   3.62500 -1.0 2.0
   59    57    58    65   3.62500 -1.0 2.0
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
   40    46    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   44    43    42    40   1.10000 -1.0 2.0
   45    50    44    42   4.00000 -1.0 2.0
   46    48    45    44   4.00000 -1.0 2.0
   45    47    46    39   1.10000 -1.0 2.0
   50    52    49    48   4.00000 -1.0 2.0
   51    44    50    49   1.00000 -1.0 2.0
   57    72    56    53   4.00000 -1.0 2.0
   58    59    57    56   4.00000 -1.0 2.0
   63    65    58    57   4.00000 -1.0 2.0
   66    64    63    58   1.10000 -1.0 2.0
   72    67    66    63   1.10000 -1.0 2.0
END
