* LIGAND DATABASE FILE (OPLS2005)
*
001      70    72    132    202     383
    1     0 S   NP   _N1_     1    28.78494    93.50641   -21.49995
    2     1 S   H    _HN1     2     1.02776    91.67756   -82.51719
    3     1 S   H    _H1_     3     1.02961    96.76212    26.16895
    4     1 S   H    _H2_     4     1.02835    23.87263   143.55009
    5     1 S   CT   _CA1     5     1.50126   134.34585   153.51448
    6     5 S   HC   _HA1     6     1.09561   105.27411    54.94378
    7     5 S   CO3  _C1_     7     1.53835   112.38531   -65.42770
    8     7 S   O2Z  _O11     8     1.26375   115.00148   -41.57270
    9     7 S   O2Z  _O12     9     1.26234   114.98056   137.69382
   10     5 S   CT   _CB1    10     1.53085   107.43152   173.07275
   11    10 S   HC   HB11    11     1.09821   109.56368   -48.66336
   12    10 S   HC   HB12    12     1.09837   110.26992    67.94271
   13    10 S   CT   _CG1    13     1.53026   112.69234  -169.72980
   14    13 S   HC   HG11    14     1.09589   110.36640   -59.97851
   15    13 S   HC   HG12    15     1.09620   110.16241    59.32447
   16    13 S   C    _CD1    16     1.51778   112.13270   179.78511
   17    16 S   O    _OE1    17     1.22732   123.21858    -7.62409
   18    16 S   N    _N2_    18     1.38647   111.68958   172.17103
   19    18 S   H    _HN2    19     1.01583   119.07808     2.96762
   20    18 S   CT1  _CA2    20     1.46303   123.24433  -174.70517
   21    20 S   HC   _HA2    21     1.09729   109.34005   -14.64625
   22    20 S   C    _C2_    22     1.53301   108.58638  -130.65957
   23    22 S   O    _O2_    23     1.23011   122.21260  -146.00765
   24    20 S   CT   _CB2    32     1.53582   111.13439   107.13256
   25    24 S   HC   HB21    33     1.09584   109.38513    57.50397
   26    24 S   HC   HB22    34     1.09463   110.69868   176.37010
   27    22 S   N    _N3_    24     1.38494   113.33971    41.35725
   28    27 S   H    _HN3    25     1.01534   118.91203    -0.54715
   29    24 S   S    _SG2    35     1.82765   111.33624   -63.24149
   30    27 S   CT   _CA3    26     1.45449   123.41796   175.07041
   31    30 S   HC   HA31    27     1.09526   109.19546    25.05968
   32    30 S   HC   HA32    28     1.09494   107.12933   142.06371
   33    29 S   CT   _C10    36     1.82922   100.10442   165.06170
   34    33 S   HC   _H4_    37     1.09904   103.58514   -36.59412
   35    30 S   CO3  _C3_    29     1.52932   113.15849   -98.38466
   36    35 S   O2Z  _O31    30     1.26399   115.42851   -43.76896
   37    35 S   O2Z  _O32    31     1.26359   114.96637   137.17315
   38    33 S   CT   _C9_    38     1.53669   117.18350  -150.91606
   39    38 S   HC   _H3_    39     1.09965   106.69023   114.71084
   40    33 S   CT   _C11    58     1.53671   118.33730    80.84814
   41    40 S   HC   _H9_    59     1.09947   106.15596  -106.23798
   42    38 S   C5BC _C8_    40     1.50948   118.94907    -4.13962
   43    40 S   CO4  _C18    60     1.50662   103.43810   142.06179
   44    43 S   O    _O34    61     1.22262   124.97788   168.96135
   45    42 S   C5BC _C5_    41     1.44789   122.95242    88.95121
   46    38 S   OS   _O35    62     1.43374   106.90212  -135.70803
   47    45 S   C5A  _C6_    42     1.37427   106.26123  -179.78602
   48    47 S   HA   _H8_    43     1.08072   133.51232   179.86583
   49    45 S   CT   _C4_    67     1.48507   127.73246    -0.11191
   50    49 S   HC   _H5_    68     1.09441   110.68030   -56.70364
   51    49 S   HC   _H6_    69     1.09450   110.45190    63.57056
   52    49 S   HC   _H7_    70     1.09452   111.34045  -176.63303
   53    47 S   OA   _O33    44     1.34768   110.76520    -0.01978
   54    42 S   C5A  _C7_    45     1.39541   131.93670   -90.52268
   55    54 S   CT   _C16    46     1.49821   138.10453     0.15702
   56    55 S   HC   _H15    47     1.09935   108.41067   134.29346
   57    55 S   HC   _H16    48     1.09844   107.35923  -112.88121
   58    55 S   CM   _C15    49     1.50664   117.98429    11.18402
   59    58 S   CM   _C14    50     1.34646   118.98875    65.64117
   60    59 S   HC   _H14    51     1.08840   117.77012     6.53195
   61    58 S   CT   _C17    63     1.50418   114.92035  -112.07764
   62    61 S   HC   _H17    64     1.09553   109.63409   -62.60054
   63    61 S   HC   _H18    65     1.09115   113.83524   177.64898
   64    61 S   HC   _H19    66     1.09463   110.59404    56.33987
   65    59 S   CT   _C13    52     1.49367   127.62853  -168.31323
   66    65 S   HC   _H12    53     1.09692   108.54238  -125.87149
   67    65 S   HC   _H13    54     1.09308   112.19881    -9.79392
   68    65 S   CT   _C12    55     1.54069   113.02645   113.48069
   69    68 S   HC   _H10    56     1.09502   109.39466    79.62623
   70    68 S   HC   _H11    57     1.09979   105.77747  -168.73830
  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  10   5   4   3
  15   8   2   1   1  14   6  12   7  15   6   2  10   2   8   3
   5   2   1   1   5   6  10   4   3  10  11   5   4   2   1   1
   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    68    40    41    43    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    45    54    65    68    69    70    40    41    43    44    46  
   38    39    42    68    40    41    43    46  
   36    37  
   37  
    0  
   39    42    45    47    53    54    55    68    40    41    43    44    46    49  
   42    45    54    40    43    46  
   41    43    44    46    42    59    65    66    67    68    69    70  
   43    44    46    65    68    69    70  
   45    47    48    53    54    55    56    57    58    43    46    49    50    51    52  
   44    46    65    68    69    70  
   46    68  
   47    48    53    54    55    46    49    50    51    52  
   54    68  
   48    53    54    55    49    50    51    52  
   53    54    49  
   50    51    52    53    54  
   51    52  
   52  
    0  
   54    55    56    57    58  
   55    56    57    58    59    61  
   56    57    58    59    60    65    61    62    63    64  
   57    58    59    61  
   58    59    61  
   59    60    65    66    67    68    61    62    63    64  
   60    65    66    67    68    69    70    61    62    63    64  
   65    66    67    68    61  
   62    63    64    65  
   63    64  
   64  
    0  
   66    67    68    69    70  
   67    68    69    70  
   68    69    70  
   69    70  
   70  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0760  -0.143000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   46   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   54   3.5500   0.0700   0.008000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0660  -0.005000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   285.000  1.502
   38    46   320.000  1.410
   42    45   469.000  1.424
   42    54   546.000  1.367
   45    47   546.000  1.367
   45    49   285.000  1.502
   47    48   367.000  1.080
   47    53   340.000  1.360
   53    54   340.000  1.360
   54    55   295.000  1.489
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   317.000  1.510
   58    59   549.000  1.340
   58    61   317.000  1.510
   59    60   340.000  1.080
   59    65   317.000  1.510
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    40   268.000  1.529
   40    41   340.000  1.090
   40    43   317.000  1.522
   43    44   570.000  1.229
   43    46   214.000  1.327
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    70.00000  112.17500
   33    38    46    50.00000  109.50000
   33    40    68    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    43    63.00000  111.10000
   38    33    34    37.50000  110.70000
   38    42    45    60.00000  130.00000
   38    42    54    60.00000  130.00000
   38    46    43    83.00000  116.90000
   42    38    39    35.00000  109.50000
   42    45    47    70.00000  107.30000
   42    45    49    60.00000  130.00000
   42    54    53    70.00000  110.60000
   42    54    55    50.00000  133.50000
   45    47    48    35.00000  132.10000
   45    47    53    70.00000  110.60000
   45    49    50    35.00000  109.50000
   45    49    51    35.00000  109.50000
   45    49    52    35.00000  109.50000
   47    53    54    70.00000  106.50000
   53    47    48    35.00000  113.40000
   53    54    55    80.00000  116.10000
   54    42    45    70.00000  107.30000
   54    55    56    45.00000  110.47400
   54    55    57    45.00000  110.47400
   54    55    58    70.00000  112.40000
   55    58    59    70.00000  124.00000
   55    58    61    65.00000  117.92700
   57    55    56    33.00000  107.80000
   58    55    56    35.00000  109.50000
   58    55    57    35.00000  109.50000
   58    59    60    35.00000  120.00000
   58    59    65    70.00000  124.00000
   58    61    62    35.00000  109.50000
   58    61    63    35.00000  109.50000
   58    61    64    35.00000  109.50000
   59    65    66    35.00000  109.50000
   59    65    67    35.00000  109.50000
   59    65    68    70.00000  112.02700
   65    59    60    35.00000  117.00000
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    40    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    37.50000  110.70000
   68    65    67    37.50000  110.70000
   68    40    41    37.50000  110.70000
   68    40    43    63.00000  111.10000
   70    68    69    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    68    69    37.50000  110.70000
   40    68    70    37.50000  110.70000
   40    43    44    80.00000  120.40000
   40    43    46    81.00000  111.40000
   43    40    41    35.00000  109.50000
   46    38    39    35.00000  109.50000
   46    38    42    85.00000  111.85700
   46    43    44    83.00000  123.40000
   61    58    59    70.00000  124.00000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   49    45    47    60.00000  130.00000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    38    46   0.56750  1.0 1.0
   29    33    38    46  -0.07550 -1.0 2.0
   29    33    38    46   0.20000  1.0 3.0
   29    33    40    68   0.44750  1.0 1.0
   29    33    40    68  -0.17800 -1.0 2.0
   29    33    40    68   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.56750  1.0 1.0
   29    33    40    43  -0.07550 -1.0 2.0
   29    33    40    43   0.20000  1.0 3.0
   33    38    42    45   0.04150 -1.0 2.0
   33    38    42    54   0.04150 -1.0 2.0
   33    38   -46    43  -0.25900  1.0 1.0
   33    38   -46    43  -0.47000 -1.0 2.0
   33    38   -46    43   0.11750  1.0 3.0
   33    40    43    44   0.30150 -1.0 2.0
   33    40   -43    46   0.36750  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.43200  1.0 3.0
   34    33    38    46   0.23400  1.0 3.0
   34    33    40    68   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    43  -0.11250  1.0 3.0
   38    33    40    68   0.56750  1.0 1.0
   38    33    40    68  -0.07550 -1.0 2.0
   38    33    40    68   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33   -40    43  -0.95700  1.0 1.0
   38    33   -40    43  -0.18200 -1.0 2.0
   38    33   -40    43   0.29450  1.0 3.0
   38    42    45    47   3.62500 -1.0 2.0
   38    42    45    49   3.62500 -1.0 2.0
   38    42    54    53   3.62500 -1.0 2.0
   38    42    54    55   3.62500 -1.0 2.0
   39    38    42    45   0.00000  1.0 1.0
   39    38    42    54   0.00000  1.0 1.0
   39    38    46    43   0.08050  1.0 3.0
   42    38    46    43  -0.43900 -1.0 2.0
   42    38    46    43   0.14100  1.0 3.0
   42    45    47    48   3.62500 -1.0 2.0
   42    45   -47    53   3.62500 -1.0 2.0
   42    45    49    50   0.00000  1.0 1.0
   42    45    49    51   0.00000  1.0 1.0
   42    45    49    52   0.00000  1.0 1.0
   42    54    55    56   0.00000  1.0 1.0
   42    54    55    57   0.00000  1.0 1.0
   42    54    55    58   0.18050 -1.0 2.0
   45    42   -54    53   3.62500 -1.0 2.0
   45    42    54    55   3.62500 -1.0 2.0
   45    47   -53    54   3.62500 -1.0 2.0
   47    45    49    50   0.00000  1.0 1.0
   47    45    49    51   0.00000  1.0 1.0
   47    45    49    52   0.00000  1.0 1.0
   47    53   -54    42   3.62500 -1.0 2.0
   47    53    54    55   3.62500 -1.0 2.0
   48    47    53    54   3.62500 -1.0 2.0
   53    54    55    56   0.00000  1.0 1.0
   53    54    55    57   0.00000  1.0 1.0
   53    54    55    58   0.04300 -1.0 2.0
   54    42   -45    47   3.62500 -1.0 2.0
   54    42    45    49   3.62500 -1.0 2.0
   54    55    58    59   1.44450  1.0 1.0
   54    55    58    59   0.06600 -1.0 2.0
   54    55    58    59   0.29250  1.0 3.0
   54    55    58    61   0.09700  1.0 1.0
   54    55    58    61   0.15600 -1.0 2.0
   54    55    58    61  -0.50800  1.0 3.0
   55    58    59    60   7.00000 -1.0 2.0
   55    58    59    65   7.00000 -1.0 2.0
   55    58    61    62   0.34800  1.0 3.0
   55    58    61    63   0.34800  1.0 3.0
   55    58    61    64   0.34800  1.0 3.0
   56    55    58    59   0.00000  1.0 1.0
   56    55    58    61   0.34800  1.0 3.0
   57    55    58    59   0.00000  1.0 1.0
   57    55    58    61   0.34800  1.0 3.0
   58    59    65    66   0.00000  1.0 1.0
   58    59    65    67   0.00000  1.0 1.0
   58    59    65    68   0.09850  1.0 1.0
   58    59    65    68   0.15250 -1.0 2.0
   58    59    65    68  -0.50650  1.0 3.0
   59    58    61    62   0.00000  1.0 1.0
   59    58    61    63   0.00000  1.0 1.0
   59    58    61    64   0.00000  1.0 1.0
   59    65    68    69   0.15000  1.0 3.0
   59    65    68    70   0.15000  1.0 3.0
   59    65    68    40   0.34400  1.0 1.0
   59    65    68    40   0.09450 -1.0 2.0
   59    65    68    40   0.11100  1.0 3.0
   60    59    65    66   0.33100  1.0 3.0
   60    59    65    67   0.33100  1.0 3.0
   60    59    65    68   0.00000  1.0 1.0
   65    68    40    33   0.56750  1.0 1.0
   65    68    40    33  -0.07550 -1.0 2.0
   65    68    40    33   0.20000  1.0 3.0
   65    68    40    41   0.15000  1.0 3.0
   65    68    40    43  -0.95700  1.0 1.0
   65    68    40    43  -0.18200 -1.0 2.0
   65    68    40    43   0.29450  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    70   0.15000  1.0 3.0
   66    65    68    40   0.15000  1.0 3.0
   67    65    68    69   0.15000  1.0 3.0
   67    65    68    70   0.15000  1.0 3.0
   67    65    68    40   0.15000  1.0 3.0
   68    40    43    44   0.30150 -1.0 2.0
   68    40    43    46   0.36750  1.0 3.0
   69    68    40    33   0.15000  1.0 3.0
   69    68    40    41   0.15000  1.0 3.0
   69    68    40    43  -0.11250  1.0 3.0
   70    68    40    33   0.15000  1.0 3.0
   70    68    40    41   0.15000  1.0 3.0
   70    68    40    43  -0.11250  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    42  -0.03700  1.0 1.0
   40    33    38    42   0.37200 -1.0 2.0
   40    33    38    42  -0.47300  1.0 3.0
   40    33   -38    46   0.62750  1.0 1.0
   40    33   -38    46  -0.30950 -1.0 2.0
   40    33   -38    46   0.27300  1.0 3.0
   40    43   -46    38   1.63150  1.0 1.0
   40    43   -46    38   2.92000 -1.0 2.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    46   0.00000  1.0 1.0
   44    43    46    38   3.00000 -1.0 2.0
   46    38    42    45   0.64500  1.0 1.0
   46    38    42    45   0.14800 -1.0 2.0
   46    38    42    45   0.20650  1.0 3.0
   46    38    42    54   0.64500  1.0 1.0
   46    38    42    54   0.14800 -1.0 2.0
   46    38    42    54   0.20650  1.0 3.0
   61    58    59    60   7.00000 -1.0 2.0
   61    58    59    65   7.00000 -1.0 2.0
   49    45    47    48   3.62500 -1.0 2.0
   49    45    47    53   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
   36    30    35    37  10.50000 -1.0 2.0
   45    54    42    38   4.00000 -1.0 2.0
   47    49    45    42   4.00000 -1.0 2.0
   53    48    47    45   1.10000 -1.0 2.0
   53    55    54    42   4.00000 -1.0 2.0
   55    61    58    59   1.10000 -1.0 2.0
   65    60    59    58   1.10000 -1.0 2.0
   40    46    43    44  10.50000 -1.0 2.0
END
