* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    145    237     427
    1     0 S   NP   _N1_     1    28.05851    96.67752   -22.48367
    2     1 S   H    _HN1     2     1.02776   100.75412  -115.20439
    3     1 S   H    _H1_     3     1.02957    77.68818    -8.56694
    4     1 S   H    _H2_     4     1.02835    34.70551   138.83366
    5     1 S   CT   _CA1     5     1.50137   140.24930    98.60206
    6     5 S   HC   _HA1     6     1.09573   105.21618    82.36880
    7     5 S   CO3  _C1_     7     1.53787   112.32703   -37.83982
    8     7 S   O2Z  _O11     8     1.26369   114.99554   -44.30593
    9     7 S   O2Z  _O12     9     1.26228   114.93045   134.74196
   10     5 S   CT   _CB1    10     1.53088   107.41682  -159.70684
   11    10 S   HC   HB11    11     1.09829   109.35976   -50.19439
   12    10 S   HC   HB12    12     1.09816   110.41804    66.36507
   13    10 S   CT   _CG1    13     1.53024   112.67453  -171.24115
   14    13 S   HC   HG11    14     1.09594   110.51531   -64.11198
   15    13 S   HC   HG12    15     1.09655   109.91351    55.10452
   16    13 S   C    _CD1    16     1.51842   112.26124   175.50076
   17    16 S   O    _OE1    17     1.22755   123.25974     1.15843
   18    16 S   N    _N2_    18     1.38536   111.73337  -178.91574
   19    18 S   H    _HN2    19     1.01555   119.11809     4.33540
   20    18 S   CT1  _CA2    20     1.45911   122.88635   178.51694
   21    20 S   HC   _HA2    21     1.09718   108.89313    25.05384
   22    20 S   C    _C2_    22     1.52901   106.69712   -92.18888
   23    22 S   O    _O2_    23     1.23022   122.89326   -30.02675
   24    20 S   CT   _CB2    32     1.53323   112.31176   148.21463
   25    24 S   HC   HB21    33     1.09544   109.58691    55.93378
   26    24 S   HC   HB22    34     1.09325   109.63310   174.51073
   27    22 S   N    _N3_    24     1.38488   112.79246   152.59077
   28    27 S   H    _HN3    25     1.01678   120.38067    -1.03892
   29    24 S   S    _SG2    35     1.82814   110.69536   -64.01478
   30    27 S   CT   _CA3    26     1.45366   122.27205   178.79115
   31    30 S   HC   HA31    27     1.09571   107.47503   -62.60304
   32    30 S   HC   HA32    28     1.09575   107.88044    53.63949
   33    29 S   CT   _C14    36     1.88788   102.78034  -171.42666
   34    30 S   CO3  _C3_    29     1.52854   114.58683   175.63776
   35    34 S   O2Z  _O31    30     1.26296   116.16049    -1.85340
   36    34 S   O2Z  _O32    31     1.26472   114.35961   178.22546
   37    33 S   CT   _C10    37     1.59960   109.89495  -159.39300
   38    37 S   HC   _H5_    38     1.10012   105.65039   156.85256
   39    33 S   CT   _C15    70     1.54248   110.16888   -38.34776
   40    39 S   HC   _H15    71     1.09508   111.78830    71.27433
   41    39 S   HC   _H16    72     1.09416   112.42740   -50.65044
   42    39 S   HC   _H17    73     1.09646   111.01805  -170.41618
   43    37 S   CT   _C9_    39     1.53874   118.34462    36.43441
   44    43 S   HC   _H4_    40     1.09778   111.14938   -70.43309
   45    37 S   C3T  _C11    57     1.52140   105.28445   -90.82750
   46    43 S   CT   _C8_    41     1.52569   112.10881   165.00419
   47    46 S   HC   _H3_    42     1.09831   109.86577   -36.02093
   48    45 S   C3T  _C12    58     1.49939   107.90997   -19.31720
   49    48 S   HC   _H6_    59     1.07803   122.11581  -142.87485
   50    46 S   CM   _C17    43     1.49341   100.48988  -147.63170
   51    46 S   CT   _C7_    50     1.52875   115.24602    87.60727
   52    51 S   HC   _H13    51     1.09885   107.80310  -163.92366
   53    51 S   HC   _H14    52     1.09854   110.19778    81.80675
   54    33 S   CT   _C13    60     1.59351   115.69194    86.81428
   55    54 S   OM   _O34    61     1.31802   114.20660   -33.22730
   56    54 S   HC   _H7_    62     1.10169   105.64451  -165.31221
   57    45 S   O3T  _O33    63     1.43886   115.10910    43.42331
   58    50 S   CO4  _C16    44     1.47561   108.29267    23.05316
   59    58 S   O    _O36    45     1.21733   127.15612   169.31598
   60    50 S   CM   _C18    47     1.33602   130.11681  -156.02976
   61    60 S   HC   _H18    48     1.08461   121.14819    -0.87469
   62    60 S   HC   _H19    49     1.08532   121.64602   179.39834
   63    51 S   CT   _C6_    53     1.53346   117.66730   -41.31397
   64    63 S   HC   _H11    54     1.09833   108.77050    88.54379
   65    63 S   HC   _H12    55     1.09885   105.69259  -158.91541
   66    43 S   OS   _O35    46     1.44126   109.91266    48.78425
   67    63 S   CT   _C5_    56     1.54371   117.75656   -36.41203
   68    67 S   CT   _C4_    64     1.53931   108.29545  -155.80885
   69    68 S   HC   _H8_    65     1.09555   111.36797   175.52994
   70    68 S   HC   _H9_    66     1.09665   110.75055    58.42668
   71    68 S   HC   _H10    67     1.09480   112.12421   -62.61633
   72    67 S   OH   _O37    68     1.42945   109.35363   -40.42630
   73    72 S   HO   _H20    69     0.97285   107.68769   179.88636
  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  13   5   4   3
  18   2   1   1  24  10   9   3   2   1  17   7  19  15   8   9
   5  10  11   5   4   4   2   1   4   5   2   3   1   1   9   4
   3   1   6   5   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    54    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    45    48    54    55    56    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    46    66    67    45    48    49    54    55    56    57    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    46    47    50    58    66    51    63    67    45    48    49    54    55    56    57    68    72    39    40    41    42  
   43    44    46    66    67    45    48    54    57    39  
   40    41    42    43    45    48    54    55    56  
   41    42    54  
   42    54  
   54  
   44    46    47    50    58    59    66    60    51    52    53    63    67    45    48    54    57  
   46    47    50    58    66    51    45  
   48    49    54    55    56    57    68    69    70    71    72    73    46    51    63    64    65    66    67  
   47    50    58    59    66    60    61    62    51    52    53    63    64    65    67  
   50    58    66    60    51    52    53    63  
   49    54    55    56    57    68    72    63    67  
   54    55    56    57    67  
   58    59    66    60    61    62    51    52    53    63  
   52    53    63    64    65    67    68    72    58    60    66  
   53    63    64    65    67  
   63    64    65    67  
   55    56    57    67  
   56    57  
   57  
   68    72    63    67  
   59    66    60    61    62  
   66    60  
   61    62    66  
   62  
    0  
   64    65    67    68    69    70    71    72    73  
   65    67    68    72  
   67    68    72  
    0  
   68    69    70    71    72    73  
   69    70    71    72    73  
   70    71    72  
   71    72  
   72  
   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  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   45   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   56   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    54   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   268.000  1.529
   37    45   275.000  1.510
   43    44   340.000  1.090
   43    46   268.000  1.529
   43    66   320.000  1.410
   46    47   340.000  1.090
   46    50   317.000  1.510
   46    51   268.000  1.529
   50    58   320.000  1.462
   50    60   549.000  1.340
   58    59   570.000  1.229
   58    66   214.000  1.327
   60    61   340.000  1.080
   60    62   340.000  1.080
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   268.000  1.529
   67    45   275.000  1.510
   67    68   268.000  1.529
   67    72   320.000  1.410
   45    48   260.000  1.509
   45    57   335.000  1.432
   48    49   340.000  1.088
   48    54   275.000  1.510
   48    57   335.000  1.432
   54    55   570.000  1.307
   54    56   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    54    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    58.35000  112.70000
   33    37    45    70.00000  112.37300
   33    54    48    70.00000  112.37300
   33    54    55    50.00000  109.50000
   33    54    56    37.50000  110.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    37.50000  110.70000
   37    43    46    58.35000  112.70000
   37    43    66    50.00000  109.50000
   37    45    67    58.35000  112.70000
   37    45    48    60.00000  120.94000
   37    45    57    80.00000  116.47100
   43    37    38    37.50000  110.70000
   43    46    47    37.50000  110.70000
   43    46    50    70.00000  112.02700
   43    46    51    58.35000  112.70000
   43    66    58    83.00000  116.90000
   46    43    44    37.50000  110.70000
   46    50    58    65.00000  116.34900
   46    50    60    70.00000  124.00000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    63    58.35000  112.70000
   50    46    47    35.00000  109.50000
   50    58    59    80.00000  123.72100
   50    58    66    90.00000  111.29400
   50    60    61    35.00000  120.00000
   50    60    62    35.00000  120.00000
   66    43    44    35.00000  109.50000
   66    43    46    50.00000  109.50000
   66    58    59    83.00000  123.40000
   60    50    58    65.00000  118.96000
   62    60    61    35.00000  117.00000
   51    46    47    37.50000  110.70000
   51    46    50    70.00000  112.02700
   51    63    64    37.50000  110.70000
   51    63    65    37.50000  110.70000
   51    63    67    58.35000  112.70000
   53    51    52    33.00000  107.80000
   63    51    52    37.50000  110.70000
   63    51    53    37.50000  110.70000
   63    67    45    70.00000  112.37300
   63    67    68    58.35000  112.70000
   63    67    72    50.00000  109.50000
   65    63    64    33.00000  107.80000
   67    63    64    37.50000  110.70000
   67    63    65    37.50000  110.70000
   67    45    48    60.00000  120.94000
   67    45    57    80.00000  116.47100
   67    68    69    37.50000  110.70000
   67    68    70    37.50000  110.70000
   67    68    71    37.50000  110.70000
   67    72    73    55.00000  108.50000
   45    37    38    45.00000  109.38400
   45    37    43    70.00000  112.37300
   45    48    49    37.50000  117.20000
   45    48    54    60.00000  120.94000
   45    48    57    15.00000   60.43100
   45    57    48    15.00000   59.14900
   48    54    55    50.00000  109.50000
   48    54    56    45.00000  109.38400
   54    33    37    58.35000  112.70000
   54    48    49    40.00000  115.04500
   56    54    55    45.00000  125.66300
   57    45    48    15.00000   60.43100
   57    48    49    50.00000  114.27700
   57    48    54    80.00000  116.47100
   68    67    45    70.00000  112.37300
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    67    45    50.00000  109.50000
   72    67    68    50.00000  109.50000
   39    33    37    58.35000  112.70000
   39    33    54    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    37    45   0.44750  1.0 1.0
   29    33    37    45  -0.17800 -1.0 2.0
   29    33    37    45   0.20200  1.0 3.0
   29    33    54    48   0.44750  1.0 1.0
   29    33    54    48  -0.17800 -1.0 2.0
   29    33    54    48   0.20200  1.0 3.0
   29    33    54    55   0.56750  1.0 1.0
   29    33    54    55  -0.07550 -1.0 2.0
   29    33    54    55   0.20000  1.0 3.0
   29    33    54    56   0.15000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37    43    46   0.56750  1.0 1.0
   33    37    43    46  -0.07550 -1.0 2.0
   33    37    43    46   0.20000  1.0 3.0
   33    37    43    66   0.62750  1.0 1.0
   33    37    43    66  -0.30950 -1.0 2.0
   33    37    43    66   0.27300  1.0 3.0
   33    37    45    67   0.56750  1.0 1.0
   33    37    45    67  -0.07550 -1.0 2.0
   33    37    45    67   0.20000  1.0 3.0
   33    37   -45    48   0.07850  1.0 1.0
   33    37   -45    48  -0.03950 -1.0 2.0
   33    37   -45    48   0.67350  1.0 3.0
   33    37    45    57   0.02550  1.0 1.0
   33    37    45    57  -0.02600 -1.0 2.0
   33    37    45    57   1.20400  1.0 3.0
   37    33   -54    48   0.47050  1.0 1.0
   37    33   -54    48   0.03900 -1.0 2.0
   37    33   -54    48   0.20100  1.0 3.0
   37    33    54    55   0.62750  1.0 1.0
   37    33    54    55  -0.30950 -1.0 2.0
   37    33    54    55   0.27300  1.0 3.0
   37    33    54    56   0.15000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    46    47   0.15000  1.0 3.0
   37    43    46    50   0.34400  1.0 1.0
   37    43    46    50   0.09450 -1.0 2.0
   37    43    46    50   0.11100  1.0 3.0
   37    43    46    51   0.56750  1.0 1.0
   37    43    46    51  -0.07550 -1.0 2.0
   37    43    46    51   0.20000  1.0 3.0
   37    43    66    58  -0.25900  1.0 1.0
   37    43    66    58  -0.47000 -1.0 2.0
   37    43    66    58   0.11750  1.0 3.0
   37    45    48    49   0.15000  1.0 3.0
   37    45   -48    54   0.56750  1.0 1.0
   37    45   -48    54  -0.07550 -1.0 2.0
   37    45   -48    54   0.20000  1.0 3.0
   37    45   -48    57   0.02550  1.0 1.0
   37    45   -48    57  -0.02600 -1.0 2.0
   37    45   -48    57   1.20400  1.0 3.0
   37    45   -57    48   0.06250  1.0 1.0
   37    45   -57    48  -0.01100 -1.0 2.0
   37    45   -57    48   0.28050  1.0 3.0
   38    37    43    44   0.15000  1.0 3.0
   38    37    43    46   0.15000  1.0 3.0
   38    37    43    66   0.23400  1.0 3.0
   38    37    45    67   0.15000  1.0 3.0
   38    37    45    48   0.15000  1.0 3.0
   38    37    45    57   0.23400  1.0 3.0
   43    37    45    67   0.56750  1.0 1.0
   43    37    45    67  -0.07550 -1.0 2.0
   43    37    45    67   0.20000  1.0 3.0
   43    37    45    48   0.07850  1.0 1.0
   43    37    45    48  -0.03950 -1.0 2.0
   43    37    45    48   0.67350  1.0 3.0
   43    37    45    57   0.02550  1.0 1.0
   43    37    45    57  -0.02600 -1.0 2.0
   43    37    45    57   1.20400  1.0 3.0
   43    46   -50    58   0.09700  1.0 1.0
   43    46   -50    58   0.15600 -1.0 2.0
   43    46   -50    58  -0.50800  1.0 3.0
   43    46    50    60   0.09850  1.0 1.0
   43    46    50    60   0.15250 -1.0 2.0
   43    46    50    60  -0.50650  1.0 3.0
   43    46    51    52   0.15000  1.0 3.0
   43    46    51    53   0.15000  1.0 3.0
   43    46    51    63   0.56750  1.0 1.0
   43    46    51    63  -0.07550 -1.0 2.0
   43    46    51    63   0.20000  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    50   0.15000  1.0 3.0
   44    43    46    51   0.15000  1.0 3.0
   44    43    66    58   0.08050  1.0 3.0
   46    43   -66    58  -0.25900  1.0 1.0
   46    43   -66    58  -0.47000 -1.0 2.0
   46    43   -66    58   0.11750  1.0 3.0
   46    50    58    59  -0.64400  1.0 1.0
   46    50    58    59   0.26850 -1.0 2.0
   46    50   -58    66  -0.15000  1.0 1.0
   46    50   -58    66   0.89550 -1.0 2.0
   46    50   -58    66  -0.06900  1.0 3.0
   46    50    60    61   7.00000 -1.0 2.0
   46    50    60    62   7.00000 -1.0 2.0
   46    51    63    64   0.15000  1.0 3.0
   46    51    63    65   0.15000  1.0 3.0
   46    51    63    67   0.56750  1.0 1.0
   46    51    63    67  -0.07550 -1.0 2.0
   46    51    63    67   0.20000  1.0 3.0
   47    46    50    58   0.15000  1.0 3.0
   47    46    50    60   0.00000  1.0 1.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    63   0.15000  1.0 3.0
   50    46    51    52   0.15000  1.0 3.0
   50    46    51    53   0.15000  1.0 3.0
   50    46    51    63   0.34400  1.0 1.0
   50    46    51    63   0.09450 -1.0 2.0
   50    46    51    63   0.11100  1.0 3.0
   50    58   -66    43   2.00000 -1.0 2.0
   58    50    60    61   7.00000 -1.0 2.0
   58    50    60    62   7.00000 -1.0 2.0
   59    58    66    43   3.00000 -1.0 2.0
   66    43    46    47   0.23400  1.0 3.0
   66    43   -46    50   0.61850  1.0 1.0
   66    43   -46    50  -0.22750 -1.0 2.0
   66    43   -46    50   0.15300  1.0 3.0
   66    43    46    51   0.62750  1.0 1.0
   66    43    46    51  -0.30950 -1.0 2.0
   66    43    46    51   0.27300  1.0 3.0
   60    50    58    59   1.00000 -1.0 2.0
   60    50    58    66  -0.56150  1.0 1.0
   60    50    58    66   2.19150 -1.0 2.0
   51    46    50    58   0.09700  1.0 1.0
   51    46    50    58   0.15600 -1.0 2.0
   51    46    50    58  -0.50800  1.0 3.0
   51    46    50    60   0.09850  1.0 1.0
   51    46    50    60   0.15250 -1.0 2.0
   51    46    50    60  -0.50650  1.0 3.0
   51    63    67    45   0.47050  1.0 1.0
   51    63    67    45   0.03900 -1.0 2.0
   51    63    67    45   0.20100  1.0 3.0
   51    63    67    68   0.56750  1.0 1.0
   51    63    67    68  -0.07550 -1.0 2.0
   51    63    67    68   0.20000  1.0 3.0
   51    63    67    72   0.86500  1.0 1.0
   51    63    67    72  -0.17500 -1.0 2.0
   51    63    67    72   0.20800  1.0 3.0
   52    51    63    64   0.15000  1.0 3.0
   52    51    63    65   0.15000  1.0 3.0
   52    51    63    67   0.15000  1.0 3.0
   53    51    63    64   0.15000  1.0 3.0
   53    51    63    65   0.15000  1.0 3.0
   53    51    63    67   0.15000  1.0 3.0
   63    67    45    37   0.56750  1.0 1.0
   63    67    45    37  -0.07550 -1.0 2.0
   63    67    45    37   0.20000  1.0 3.0
   63    67    45    48   0.07850  1.0 1.0
   63    67    45    48  -0.03950 -1.0 2.0
   63    67    45    48   0.67350  1.0 3.0
   63    67    45    57   0.02550  1.0 1.0
   63    67    45    57  -0.02600 -1.0 2.0
   63    67    45    57   1.20400  1.0 3.0
   63    67    68    69   0.15000  1.0 3.0
   63    67    68    70   0.15000  1.0 3.0
   63    67    68    71   0.15000  1.0 3.0
   63    67    72    73  -0.11600  1.0 1.0
   63    67    72    73  -0.09450 -1.0 2.0
   63    67    72    73   0.21250  1.0 3.0
   64    63    67    45   0.15000  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    72   0.23400  1.0 3.0
   65    63    67    45   0.15000  1.0 3.0
   65    63    67    68   0.15000  1.0 3.0
   65    63    67    72   0.23400  1.0 3.0
   67    45    48    49   0.15000  1.0 3.0
   67    45    48    54   0.56750  1.0 1.0
   67    45    48    54  -0.07550 -1.0 2.0
   67    45    48    54   0.20000  1.0 3.0
   67    45   -48    57   0.02550  1.0 1.0
   67    45   -48    57  -0.02600 -1.0 2.0
   67    45   -48    57   1.20400  1.0 3.0
   67    45   -57    48   0.06250  1.0 1.0
   67    45   -57    48  -0.01100 -1.0 2.0
   67    45   -57    48   0.28050  1.0 3.0
   45    37    43    44   0.15000  1.0 3.0
   45    37    43    46   0.47050  1.0 1.0
   45    37    43    46   0.03900 -1.0 2.0
   45    37    43    46   0.20100  1.0 3.0
   45    37    43    66  -0.26800  1.0 1.0
   45    37    43    66   0.69150 -1.0 2.0
   45    37    43    66  -0.48750  1.0 3.0
   45    67    68    69   0.15000  1.0 3.0
   45    67    68    70   0.15000  1.0 3.0
   45    67    68    71   0.15000  1.0 3.0
   45    67    72    73  -0.11600  1.0 1.0
   45    67    72    73  -0.09450 -1.0 2.0
   45    67    72    73   0.21250  1.0 3.0
   45    48   -54    33   0.07850  1.0 1.0
   45    48   -54    33  -0.03950 -1.0 2.0
   45    48   -54    33   0.67350  1.0 3.0
   45    48    54    55  -0.26800  1.0 1.0
   45    48    54    55   0.69150 -1.0 2.0
   45    48    54    55  -0.48750  1.0 3.0
   45    48    54    56   0.15000  1.0 3.0
   49    48    54    33   0.15000  1.0 3.0
   49    48    54    55   0.23400  1.0 3.0
   49    48    54    56   0.15000  1.0 3.0
   49    48   -57    45   0.36800  1.0 3.0
   54    33    37    38   0.15000  1.0 3.0
   54    33    37    43   0.56750  1.0 1.0
   54    33    37    43  -0.07550 -1.0 2.0
   54    33    37    43   0.20000  1.0 3.0
   54    33   -37    45   0.47050  1.0 1.0
   54    33   -37    45   0.03900 -1.0 2.0
   54    33   -37    45   0.20100  1.0 3.0
   54    33    39    40   0.15000  1.0 3.0
   54    33    39    41   0.15000  1.0 3.0
   54    33    39    42   0.15000  1.0 3.0
   54    48   -57    45   0.06250  1.0 1.0
   54    48   -57    45  -0.01100 -1.0 2.0
   54    48   -57    45   0.28050  1.0 3.0
   57    45   -48    49   0.23400  1.0 3.0
   57    45   -48    54   0.02550  1.0 1.0
   57    45   -48    54  -0.02600 -1.0 2.0
   57    45   -48    54   1.20400  1.0 3.0
   57    48   -54    33   0.02550  1.0 1.0
   57    48   -54    33  -0.02600 -1.0 2.0
   57    48   -54    33   1.20400  1.0 3.0
   57    48    54    55   1.11900  1.0 1.0
   57    48    54    55  -1.16350 -1.0 2.0
   57    48    54    55  -0.34150  1.0 3.0
   57    48    54    56   0.23400  1.0 3.0
   68    67    45    37   0.56750  1.0 1.0
   68    67    45    37  -0.07550 -1.0 2.0
   68    67    45    37   0.20000  1.0 3.0
   68    67    45    48   0.07850  1.0 1.0
   68    67    45    48  -0.03950 -1.0 2.0
   68    67    45    48   0.67350  1.0 3.0
   68    67    45    57   0.02550  1.0 1.0
   68    67    45    57  -0.02600 -1.0 2.0
   68    67    45    57   1.20400  1.0 3.0
   68    67    72    73  -0.11600  1.0 1.0
   68    67    72    73  -0.09450 -1.0 2.0
   68    67    72    73   0.21250  1.0 3.0
   72    67    45    37   0.86500  1.0 1.0
   72    67    45    37  -0.17500 -1.0 2.0
   72    67    45    37   0.20800  1.0 3.0
   72    67    45    48   0.86500  1.0 1.0
   72    67    45    48  -0.17500 -1.0 2.0
   72    67    45    48   0.20800  1.0 3.0
   72    67    45    57   3.69350  1.0 1.0
   72    67    45    57  -1.82950 -1.0 2.0
   72    67    68    69   0.23400  1.0 3.0
   72    67    68    70   0.23400  1.0 3.0
   72    67    68    71   0.23400  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.56750  1.0 1.0
   39    33    37    43  -0.07550 -1.0 2.0
   39    33    37    43   0.20000  1.0 3.0
   39    33    37    45   0.47050  1.0 1.0
   39    33    37    45   0.03900 -1.0 2.0
   39    33    37    45   0.20100  1.0 3.0
   39    33    54    48   0.47050  1.0 1.0
   39    33    54    48   0.03900 -1.0 2.0
   39    33    54    48   0.20100  1.0 3.0
   39    33    54    55   0.62750  1.0 1.0
   39    33    54    55  -0.30950 -1.0 2.0
   39    33    54    55   0.27300  1.0 3.0
   39    33    54    56   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   46    58    50    60   1.10000 -1.0 2.0
   50    66    58    59  10.50000 -1.0 2.0
   61    62    60    50   1.10000 -1.0 2.0
END
