* LIGAND DATABASE FILE (OPLS2005)
*
001      70    72    125    197     364
    1     0 S   NP   _N1_     1    28.75928    95.76099   -20.83660
    2     1 S   H    _HN1     2     1.02958    83.25468    38.23033
    3     1 S   H    _H1_     3     1.02811    37.34258   168.00035
    4     1 S   H    _H2_     4     1.02758    89.46307   -70.40089
    5     1 S   CT   _CA1     5     1.50300   147.57525   155.68023
    6     5 S   HC   _HA1     6     1.09598   104.94634    67.15168
    7     5 S   CO3  _C1_     7     1.53784   112.51514   -52.14371
    8     7 S   O2Z  _O11     8     1.26385   114.95344   -33.75009
    9     7 S   O2Z  _O12     9     1.26265   114.94175   144.47004
   10     5 S   CT   _CB1    10     1.53054   107.17295  -175.42072
   11    10 S   HC   HB11    11     1.09791   108.69522   -50.70021
   12    10 S   HC   HB12    12     1.09798   110.49360    65.54676
   13    10 S   CT   _CG1    13     1.52975   113.01740  -172.16536
   14    13 S   HC   HG11    14     1.09490   110.15835   -71.74523
   15    13 S   HC   HG12    15     1.09678   110.12484    47.04456
   16    13 S   C    _CD1    16     1.51987   112.51619   166.32603
   17    16 S   O    _OE1    17     1.22774   123.18663   -14.50507
   18    16 S   N    _N2_    18     1.38487   111.81083   168.24247
   19    18 S   H    _HN2    19     1.01772   119.03933    -4.20896
   20    18 S   CT1  _CA2    20     1.46156   123.79153   175.55168
   21    20 S   HC   _HA2    21     1.09724   109.45335    -1.29271
   22    20 S   C    _C2_    22     1.53648   108.55227  -116.77327
   23    22 S   O    _O2_    23     1.23077   122.16930  -148.74599
   24    20 S   CT   _CB2    32     1.53221   111.38125   121.08742
   25    24 S   HC   HB21    33     1.09323   109.65679    54.57257
   26    24 S   HC   HB22    34     1.09519   110.52898   172.55429
   27    22 S   N    _N3_    24     1.38500   113.69490    38.91452
   28    27 S   H    _HN3    25     1.01489   118.82717    -1.50662
   29    24 S   S    _SG2    35     1.82741   111.54665   -68.91012
   30    27 S   CT   _CA3    26     1.45428   123.63913   175.29672
   31    30 S   HC   HA31    27     1.09513   109.45425    20.74313
   32    30 S   HC   HA32    28     1.09507   107.08435   137.71332
   33    29 S   CT   _C13    36     1.85431   101.23547   139.10250
   34    33 S   OM   _O36    37     1.31971   110.79510   165.87851
   35    30 S   CO3  _C3_    29     1.52887   112.89909  -102.90307
   36    35 S   O2Z  _O31    30     1.26421   115.30507   -49.02691
   37    35 S   O2Z  _O32    31     1.26345   115.07286   131.89054
   38    33 S   CM   _C5_    38     1.57344   110.02869   -74.85962
   39    33 S   NE   _N5_    59     1.47357   111.03272    46.14217
   40    39 S   H    _H10    60     1.01422   114.66264  -103.64244
   41    38 S   CMA  _C6_    39     1.38133   127.76360   -55.48581
   42    41 S   OM   _O35    40     1.27158   125.88646     1.85941
   43    38 S   NS   _N4_    54     1.46280   114.16931   126.21026
   44    39 S   CA   _C14    61     1.39400   128.08600    59.85586
   45    41 S   CA   _C7_    41     1.52894   117.88070  -177.16821
   46    43 S   CT   _C4_    55     1.49245   114.97373    87.73383
   47    46 S   HC   _H3_    56     1.09393   109.78105  -166.01877
   48    46 S   HC   _H4_    57     1.09340   111.48361    72.50869
   49    46 S   HC   _H5_    58     1.09422   110.62603   -48.19468
   50    44 S   CA   _C15    62     1.39897   117.48867   174.44988
   51    50 S   HA   _H11    63     1.08653   120.72554     1.16919
   52    45 S   CA   _C8_    42     1.40963   121.05627   151.60773
   53    52 S   HA   _H6_    43     1.08828   120.78953    -2.29388
   54    50 S   CA   _C16    64     1.39383   119.95886  -178.81254
   55    54 S   HA   _H12    65     1.08572   120.09566  -179.75451
   56    52 S   CA   _C9_    44     1.40020   121.59027   177.51864
   57    56 S   HA   _H7_    45     1.08633   119.69056  -179.40258
   58    54 S   CA   _C17    66     1.38518   119.58472     0.41637
   59    58 S   HA   _H13    67     1.08340   121.28506   179.94766
   60    56 S   CA   _C10    46     1.39165   120.29656    -0.07913
   61    60 S   HA   _H8_    47     1.08573   120.08760  -179.71061
   62    58 S   CA   _C18    68     1.38077   117.46734     0.18023
   63    62 S   HA   _H14    69     1.08500   120.96369   179.72164
   64    60 S   CA   _C11    48     1.38952   119.68089     0.46688
   65    64 S   HA   _H9_    49     1.08567   119.55608   179.15027
   66    44 S   NB   _N6_    70     1.35675   122.18993    -3.24757
   67    45 S   CA   _C12    50     1.39866   122.87448   -30.96674
   68    67 S   SY   _S1_    51     1.74475   116.75918     7.41148
   69    68 S   OY   _O33    52     1.45064   108.21389   146.29681
   70    68 S   OY   _O34    53     1.44927   106.92614   -82.01038
  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   8   5   4   3
  13   6   2   1   1  16   9   3  10   4  10   8  11   7   3   2
   1   7   4   8   4   6   3   6   3   4   3   5   3   2   1   5
   2   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    43    39    40    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    68    43    46    39    40    44    50    66  
   38    41    43    39    40    44  
   36    37  
   37  
    0  
   41    42    45    52    67    68    69    70    43    46    47    48    49    39    40    44  
   40    44    50    51    54    62    66    41    43  
   44    50    66  
   42    45    52    53    56    64    67    68    43    46  
   45    52    67    43  
   46    47    48    49    45    64    67    68    69    70  
   50    51    54    55    58    62    63    66  
   52    53    56    57    60    64    65    67    68    69    70  
   47    48    49    67    68    69    70  
   48    49    68  
   49    68  
   68  
   51    54    55    58    59    62    66  
   54    55    58    66  
   53    56    57    60    61    64    67    68  
   56    57    60    67  
   55    58    59    62    63    66  
   58    59    62  
   57    60    61    64    65    67  
   60    61    64  
   59    62    63    66  
   62    63    66  
   61    64    65    67    68  
   64    65    67  
   63    66  
   66  
   65    67    68    69    70  
   67    68  
    0  
   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  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   4.2000   0.3000   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.478700   2.0020   1.7750   0.023028004  -0.852763146
   39   3.3000   0.1700  -0.555900   1.8650   1.6500   0.051222218  -2.220205820
   40   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.2500   0.1700  -0.418000   1.8100   1.6000   0.054801302  -1.445846770
   44   3.5500   0.0700   0.538400   2.0020   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5000   0.0660   0.022200   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.073300   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.073300   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.073300   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700  -0.447000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.155000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700   0.227000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.065000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.447000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.155000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700   0.473000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.012000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.2500   0.1700  -0.678000   1.8650   1.6500   0.001000000  -0.511443539
   67   3.5500   0.0700   0.156700   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.2500   0.832700   2.0020   1.7750   0.025682759  -1.666211680
   69   2.9600   0.1700  -0.468000   1.6780   1.4800   0.001000000  -0.126889456
   70   2.9600   0.1700  -0.468000   1.6780   1.4800   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   317.000  1.510
   33    39   382.000  1.448
   38    41   465.000  1.376
   38    43   380.000  1.395
   41    42   745.000  1.250
   41    45   320.000  1.460
   45    52   469.000  1.400
   45    67   469.000  1.400
   52    53   367.000  1.080
   52    56   469.000  1.400
   56    57   367.000  1.080
   56    60   469.000  1.400
   60    61   367.000  1.080
   60    64   469.000  1.400
   64    65   367.000  1.080
   64    67   469.000  1.400
   67    68   225.000  1.779
   68    69   735.000  1.471
   68    70   735.000  1.471
   68    43   245.000  1.722
   43    46   300.000  1.458
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   39    40   434.000  1.010
   39    44   481.000  1.340
   44    50   469.000  1.400
   44    66   483.000  1.339
   50    51   367.000  1.080
   50    54   469.000  1.400
   54    55   367.000  1.080
   54    58   469.000  1.400
   58    59   367.000  1.080
   58    62   469.000  1.400
   62    63   367.000  1.080
   62    66   483.000  1.339
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    39    80.00000  108.62000
   33    38    41    70.00000  124.00000
   33    38    43    70.00000  115.00000
   33    39    40    35.00000  112.50000
   33    39    44    50.00000  120.00000
   38    33    34    85.00000  110.90400
   38    41    42    65.00000  137.10300
   38    41    45    60.00000  123.20500
   38    43    68    75.00000  117.67500
   38    43    46    70.00000  118.22000
   41    45    52    60.00000  120.93500
   41    45    67    60.00000  120.93500
   45    41    42    85.00000  114.86500
   45    52    53    35.00000  120.00000
   45    52    56    63.00000  120.00000
   45    67    64    63.00000  120.00000
   45    67    68    65.00000  117.06700
   52    56    57    35.00000  120.00000
   52    56    60    63.00000  120.00000
   56    52    53    35.00000  120.00000
   56    60    61    35.00000  120.00000
   56    60    64    63.00000  120.00000
   60    56    57    35.00000  120.00000
   60    64    65    35.00000  120.00000
   60    64    67    63.00000  120.00000
   64    60    61    35.00000  120.00000
   64    67    68    65.00000  117.06700
   67    45    52    63.00000  120.00000
   67    64    65    35.00000  120.00000
   67    68    69   100.00000  107.67100
   67    68    70   100.00000  107.67100
   67    68    43    95.00000  101.59200
   68    43    46    75.00000  117.08200
   70    68    69   115.00000  120.17200
   43    38    41    65.00000  121.22700
   43    68    69   115.00000  107.22500
   43    68    70   115.00000  107.22500
   43    46    47    50.00000  109.35000
   43    46    48    50.00000  109.35000
   43    46    49    50.00000  109.35000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   39    33    34    95.00000  111.00000
   39    33    38    80.00000  112.42400
   39    44    50    70.00000  120.10000
   39    44    66    80.00000  117.25000
   44    39    40    35.00000  113.50000
   44    50    51    35.00000  120.00000
   44    50    54    63.00000  120.00000
   44    66    62    70.00000  117.00000
   50    54    55    35.00000  120.00000
   50    54    58    63.00000  120.00000
   54    50    51    35.00000  120.00000
   54    58    59    35.00000  120.00000
   54    58    62    63.00000  120.00000
   58    54    55    35.00000  120.00000
   58    62    63    35.00000  120.00000
   58    62    66    70.00000  124.00000
   62    58    59    35.00000  120.00000
   66    44    50    70.00000  124.00000
   66    62    63    35.00000  116.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    43   0.09700  1.0 1.0
   29    33    38    43   0.15600 -1.0 2.0
   29    33    38    43  -0.50800  1.0 3.0
   29    33    39    40  -0.12500  1.0 1.0
   29    33    39    40  -0.12500 -1.0 2.0
   29    33    39    40   0.25000  1.0 3.0
   29    33    39    44  -0.12500  1.0 1.0
   29    33    39    44  -0.12500 -1.0 2.0
   29    33    39    44   0.25000  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    45   7.00000 -1.0 2.0
   33    38    43    68   2.00000 -1.0 2.0
   33    38    43    46   2.00000 -1.0 2.0
   33    39    44    50  -1.00000  1.0 1.0
   33    39    44    50   1.25000 -1.0 2.0
   33    39    44    66  -1.10000  1.0 1.0
   33    39    44    66   1.25000 -1.0 2.0
   34    33    38    41   0.39000  1.0 1.0
   34    33    38    41  -0.05800 -1.0 2.0
   34    33    38    41  -0.55150  1.0 3.0
   34    33    38    43   0.09700  1.0 1.0
   34    33    38    43   0.15600 -1.0 2.0
   34    33    38    43  -0.50800  1.0 3.0
   34    33    39    40  -0.12500  1.0 1.0
   34    33    39    40  -0.12500 -1.0 2.0
   34    33    39    40   0.25000  1.0 3.0
   34    33    39    44  -0.12500  1.0 1.0
   34    33    39    44  -0.12500 -1.0 2.0
   34    33    39    44   0.25000  1.0 3.0
   38    33    39    40  -0.12500  1.0 1.0
   38    33    39    40  -0.12500 -1.0 2.0
   38    33    39    40   0.25000  1.0 3.0
   38    33    39    44  -0.12500  1.0 1.0
   38    33    39    44  -0.12500 -1.0 2.0
   38    33    39    44   0.25000  1.0 3.0
   38    41    45    52   0.15800  1.0 1.0
   38    41    45    52   1.85350 -1.0 2.0
   38    41    45    52  -0.48700  1.0 3.0
   38    41    45    67   0.15800  1.0 1.0
   38    41    45    67   1.85350 -1.0 2.0
   38    41    45    67  -0.48700  1.0 3.0
   38    43    46    47   0.23200  1.0 1.0
   38    43    46    47   0.02100 -1.0 2.0
   38    43    46    47   0.24950  1.0 3.0
   38    43    46    48   0.23200  1.0 1.0
   38    43    46    48   0.02100 -1.0 2.0
   38    43    46    48   0.24950  1.0 3.0
   38    43    46    49   0.23200  1.0 1.0
   38    43    46    49   0.02100 -1.0 2.0
   38    43    46    49   0.24950  1.0 3.0
   41    38    43    68   2.00000 -1.0 2.0
   41    38    43    46   2.00000 -1.0 2.0
   41    45    52    53   3.62500 -1.0 2.0
   41    45    52    56   3.62500 -1.0 2.0
   41    45    67    64   3.62500 -1.0 2.0
   41    45   -67    68   3.62500 -1.0 2.0
   42    41    45    52  -0.01750  1.0 1.0
   42    41    45    52  -0.32000 -1.0 2.0
   42    41    45    52   0.00600  1.0 3.0
   42    41    45    67  -0.01750  1.0 1.0
   42    41    45    67  -0.32000 -1.0 2.0
   42    41    45    67   0.00600  1.0 3.0
   45    52    56    57   3.62500 -1.0 2.0
   45    52    56    60   3.62500 -1.0 2.0
   45    67    68    69   0.19500  1.0 1.0
   45    67    68    69   0.12000 -1.0 2.0
   45    67    68    70   0.19500  1.0 1.0
   45    67    68    70   0.12000 -1.0 2.0
   45    67    68    43  -0.49050  1.0 1.0
   45    67    68    43   0.22250 -1.0 2.0
   45    67    68    43  -0.39350  1.0 3.0
   52    45    67    64   3.62500 -1.0 2.0
   52    45    67    68   3.62500 -1.0 2.0
   52    56    60    61   3.62500 -1.0 2.0
   52    56   -60    64   3.62500 -1.0 2.0
   53    52    56    57   3.62500 -1.0 2.0
   53    52    56    60   3.62500 -1.0 2.0
   56    60    64    65   3.62500 -1.0 2.0
   56    60    64    67   3.62500 -1.0 2.0
   57    56    60    61   3.62500 -1.0 2.0
   57    56    60    64   3.62500 -1.0 2.0
   60    64   -67    45   3.62500 -1.0 2.0
   60    64    67    68   3.62500 -1.0 2.0
   61    60    64    65   3.62500 -1.0 2.0
   61    60    64    67   3.62500 -1.0 2.0
   64    67    68    69   0.19500  1.0 1.0
   64    67    68    69   0.12000 -1.0 2.0
   64    67    68    70   0.19500  1.0 1.0
   64    67    68    70   0.12000 -1.0 2.0
   64    67    68    43  -0.49050  1.0 1.0
   64    67    68    43   0.22250 -1.0 2.0
   64    67    68    43  -0.39350  1.0 3.0
   65    64    67    45   3.62500 -1.0 2.0
   65    64    67    68   3.62500 -1.0 2.0
   67    45    52    53   3.62500 -1.0 2.0
   67    45   -52    56   3.62500 -1.0 2.0
   67    68   -43    38  -0.64500  1.0 1.0
   67    68   -43    38  -1.19050 -1.0 2.0
   67    68   -43    38  -0.04400  1.0 3.0
   67    68    43    46  -0.64500  1.0 1.0
   67    68    43    46  -1.19050 -1.0 2.0
   67    68    43    46  -0.04400  1.0 3.0
   68    43    46    47   0.15000  1.0 3.0
   68    43    46    48   0.15000  1.0 3.0
   68    43    46    49   0.15000  1.0 3.0
   69    68    43    38   0.75000  1.0 3.0
   69    68    43    46  -0.30400  1.0 1.0
   69    68    43    46   0.50450 -1.0 2.0
   69    68    43    46   0.65550  1.0 3.0
   70    68    43    38   0.75000  1.0 3.0
   70    68    43    46  -0.30400  1.0 1.0
   70    68    43    46   0.50450 -1.0 2.0
   70    68    43    46   0.65550  1.0 3.0
   43    38    41    42   7.00000 -1.0 2.0
   43    38   -41    45   7.00000 -1.0 2.0
   39    33    38    41   0.62150  1.0 1.0
   39    33    38    41   0.42850 -1.0 2.0
   39    33    38    41  -0.68200  1.0 3.0
   39    33    38    43   0.09700  1.0 1.0
   39    33    38    43   0.15600 -1.0 2.0
   39    33    38    43  -0.50800  1.0 3.0
   39    44    50    51   3.62500 -1.0 2.0
   39    44    50    54   3.62500 -1.0 2.0
   39    44    66    62   3.62500 -1.0 2.0
   40    39    44    50   1.00000 -1.0 2.0
   40    39    44    66   1.75000 -1.0 2.0
   44    50    54    55   3.62500 -1.0 2.0
   44    50    54    58   3.62500 -1.0 2.0
   50    44    66    62   3.62500 -1.0 2.0
   50    54    58    59   3.62500 -1.0 2.0
   50    54   -58    62   3.62500 -1.0 2.0
   51    50    54    55   3.62500 -1.0 2.0
   51    50    54    58   3.62500 -1.0 2.0
   54    58    62    63   3.62500 -1.0 2.0
   54    58    62    66   3.62500 -1.0 2.0
   55    54    58    59   3.62500 -1.0 2.0
   55    54    58    62   3.62500 -1.0 2.0
   58    62   -66    44   3.62500 -1.0 2.0
   59    58    62    63   3.62500 -1.0 2.0
   59    58    62    66   3.62500 -1.0 2.0
   63    62    66    44   3.62500 -1.0 2.0
   66    44    50    51   3.62500 -1.0 2.0
   66    44   -50    54   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
   33    43    38    41   1.10000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   52    67    45    41   4.00000 -1.0 2.0
   56    53    52    45   1.10000 -1.0 2.0
   60    57    56    52   1.10000 -1.0 2.0
   64    61    60    56   1.10000 -1.0 2.0
   67    65    64    60   1.10000 -1.0 2.0
   64    68    67    45   4.00000 -1.0 2.0
   46    68    43    38   1.00000 -1.0 2.0
   40    44    39    33   1.00000 -1.0 2.0
   50    66    44    39   4.00000 -1.0 2.0
   54    51    50    44   1.10000 -1.0 2.0
   58    55    54    50   1.10000 -1.0 2.0
   62    59    58    54   1.10000 -1.0 2.0
   66    63    62    58   1.10000 -1.0 2.0
END
