* LIGAND DATABASE FILE (OPLS2005)
*
001      66    69    124    202     357
    1     0 S   NP   _N1_     1    28.81049    95.30904   -23.72049
    2     1 S   H    _HN1     2     1.02786   107.48676   -93.89378
    3     1 S   H    _H1_     3     1.02950    78.24803    11.88256
    4     1 S   H    _H2_     4     1.02829    30.95449   170.32252
    5     1 S   CT   _CA1     5     1.50114   133.26523   118.93490
    6     5 S   HC   _HA1     6     1.09573   105.19581    84.70896
    7     5 S   CO3  _C1_     7     1.53786   112.45322   -35.53543
    8     7 S   O2Z  _O11     8     1.26375   115.00393   -42.65414
    9     7 S   O2Z  _O12     9     1.26239   114.94561   136.46220
   10     5 S   CT   _CB1    10     1.53077   107.42189  -157.29674
   11    10 S   HC   HB11    11     1.09834   109.38230   -49.57845
   12    10 S   HC   HB12    12     1.09813   110.44452    67.02926
   13    10 S   CT   _CG1    13     1.52997   112.60903  -170.54537
   14    13 S   HC   HG11    14     1.09581   110.64645   -65.59130
   15    13 S   HC   HG12    15     1.09669   109.78139    53.65066
   16    13 S   C    _CD1    16     1.51799   112.18718   174.11877
   17    16 S   O    _OE1    17     1.22736   123.27049     7.50744
   18    16 S   N    _N2_    18     1.38661   111.70363  -172.63361
   19    18 S   H    _HN2    19     1.01585   118.94749     1.76292
   20    18 S   CT1  _CA2    20     1.46183   123.34057   177.50644
   21    20 S   HC   _HA2    21     1.09744   109.34645     2.94597
   22    20 S   C    _C2_    22     1.53548   108.70030  -112.53378
   23    22 S   O    _O2_    23     1.23063   122.24817  -148.19027
   24    20 S   CT   _CB2    32     1.53335   111.62859   124.91809
   25    24 S   HC   HB21    33     1.09495   110.07705    56.67751
   26    24 S   HC   HB22    34     1.09518   110.01272   175.72433
   27    22 S   N    _N3_    24     1.38316   113.73203    39.27162
   28    27 S   H    _HN3    25     1.01583   119.59795    -3.36039
   29    24 S   S    _SG2    35     1.82663   111.44995   -64.56645
   30    27 S   CT   _CA3    26     1.45287   123.21756   177.11147
   31    30 S   HC   HA31    27     1.09549   107.51056   -64.51734
   32    30 S   HC   HA32    28     1.09556   107.98460    51.92288
   33    29 S   CT   _C18    36     1.83876    99.63771  -174.59644
   34    33 S   HC   _H5_    37     1.09536   107.84795    41.86794
   35    30 S   CO3  _C3_    29     1.52962   114.07752   173.91379
   36    35 S   O2Z  _O31    30     1.26378   116.06763    -0.82496
   37    35 S   O2Z  _O32    31     1.26428   114.41255   179.23998
   38    33 S   CT   _C17    38     1.53382   111.88681   -77.62243
   39    38 S   HC   _H12    39     1.09755   109.43565   170.21349
   40    38 S   HC   _H13    40     1.09491   111.23619    51.81519
   41    38 S   CO4  _C16    41     1.52036   113.43635   -71.19465
   42    41 S   O    _O37    42     1.22983   121.56641   153.44807
   43    41 S   CM   _C15    43     1.48468   118.82220   -29.88101
   44    43 S   HC   _H11    44     1.08271   118.60604  -176.30107
   45    43 S   CM   _C14    45     1.33880   118.91961     4.09716
   46    45 S   HC   _H10    46     1.08715   117.93613   179.74821
   47    33 S   C3T  _C13    47     1.51973   108.47454   161.48922
   48    47 S   C3T  _C12    48     1.53093   122.38746   -78.08587
   49    48 S   HC   _H4_    49     1.08380   118.57345   156.85718
   50    48 S   CT   _C10    50     1.49227   124.02690     3.01909
   51    50 S   HC   _H3_    51     1.09535   113.33755   -30.76038
   52    47 S   O3T  _O36    66     1.44483   111.72357  -142.23370
   53    50 S   CO4  _C11    52     1.51059   112.70898  -153.90358
   54    53 S   O    _O35    53     1.21560   127.90278    56.41445
   55    50 S   OS   _O34    63     1.45310   109.39201    89.29140
   56    53 S   CA   _C6_    54     1.43781   107.13956  -123.22390
   57    56 S   CA   _C5_    55     1.38046   130.99760  -178.07380
   58    57 S   HA   _H7_    56     1.08383   121.80514     0.39267
   59    57 S   CA   _C4_    57     1.39567   117.03229  -179.59749
   60    59 S   HA   _H6_    58     1.08662   119.36170  -179.93744
   61    59 S   CA   _C9_    59     1.40664   120.05793     0.14537
   62    61 S   CA   _C8_    60     1.39720   121.59461     0.01978
   63    62 S   HA   _H8_    61     1.08445   121.23131   179.82196
   64    61 S   OH   _O33    64     1.36805   120.59029   179.93147
   65    64 S   HO   _H9_    65     0.97238   108.63103     0.06853
   66    56 S   CA   _C7_    62     1.37946   105.76044     2.42350
  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
  14   8   2   1   1  10   5   4   6   3   6   3   6   3   7   9
   5   9   6   2   8   4   6   8   7   4   7   3   5   4   2   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    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    45    47    48    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    46    47    48    49    50    52  
   38    39    40    41    45    47    48    52  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    47    48    52  
   40    41    42    43    47  
   41    42    43    47  
   42    43    44    45    46    47  
   43    44    45  
   44    45    46    47    48    52  
   45    46    47  
   46    47    48    49    50    52  
   47    48    52  
   48    49    50    51    53    55    52  
   49    50    51    53    54    56    66    55    52  
   50    51    53    55    52  
   51    53    54    56    57    62    66    55    52  
   53    54    56    66    55    52  
   53    55  
   54    56    57    58    59    62    66    55  
   56    57    66    55  
   56    57    61    62    63    66  
   57    58    59    60    61    62    63    66  
   58    59    60    61    62    66    64  
   59    60    61    66  
   60    61    62    63    66    64    65  
   61    62    64  
   62    63    66    64    65  
   63    66    64    65  
   66    64  
   65    66  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.234500   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   53   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
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    47   275.000  1.510
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   320.000  1.462
   43    44   340.000  1.080
   43    45   549.000  1.340
   45    46   340.000  1.080
   45    47   305.000  1.480
   47    48   260.000  1.509
   47    52   335.000  1.432
   48    49   340.000  1.088
   48    50   275.000  1.510
   48    52   335.000  1.432
   50    51   340.000  1.090
   50    53   317.000  1.522
   50    55   320.000  1.410
   53    54   570.000  1.229
   53    56   310.000  1.470
   56    57   469.000  1.400
   56    66   469.000  1.400
   57    58   367.000  1.080
   57    59   469.000  1.400
   59    60   367.000  1.080
   59    61   469.000  1.400
   61    62   469.000  1.400
   61    64   450.000  1.364
   62    63   367.000  1.080
   62    66   469.000  1.400
   66    55   450.000  1.364
   64    65   553.000  0.945
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    47    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    47    45    65.00000  117.55000
   33    47    48    60.00000  120.94000
   33    47    52    80.00000  116.47100
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    65.00000  118.62400
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    40.00000  117.72500
   41    43    45    65.00000  118.96000
   43    41    42    80.00000  123.72100
   43    45    46    35.00000  120.00000
   43    45    47    55.00000  125.06700
   45    43    44    35.00000  120.00000
   45    47    48    60.00000  120.58800
   45    47    52    85.00000  114.23300
   47    33    34    45.00000  109.38400
   47    33    38    70.00000  112.37300
   47    45    46    40.00000  117.24000
   47    48    49    37.50000  117.20000
   47    48    50    60.00000  120.94000
   47    48    52    15.00000   60.43100
   47    52    48    15.00000   59.14900
   48    50    51    45.00000  109.38400
   48    50    53    63.00000  111.10000
   48    50    55    50.00000  109.50000
   50    48    49    40.00000  115.04500
   50    53    54    80.00000  120.40000
   50    53    56    65.00000  115.47100
   50    55    66    75.00000  111.00000
   53    50    51    35.00000  109.50000
   53    56    57    60.00000  119.52600
   53    56    66    60.00000  119.52600
   56    53    54    75.00000  123.78400
   56    57    58    35.00000  120.00000
   56    57    59    63.00000  120.00000
   56    66    62    63.00000  120.00000
   56    66    55    70.00000  120.00000
   57    59    60    35.00000  120.00000
   57    59    61    63.00000  120.00000
   59    57    58    35.00000  120.00000
   59    61    62    63.00000  120.00000
   59    61    64    70.00000  120.00000
   61    59    60    35.00000  120.00000
   61    62    63    35.00000  120.00000
   61    62    66    63.00000  120.00000
   61    64    65    35.00000  113.00000
   62    66    55    70.00000  120.00000
   66    56    57    63.00000  120.00000
   66    62    63    35.00000  120.00000
   55    50    51    35.00000  109.50000
   55    50    53    90.00000  108.74100
   64    61    62    70.00000  120.00000
   52    47    48    15.00000   60.43100
   52    48    49    50.00000  114.27700
   52    48    50    80.00000  116.47100
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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    47    45   0.56750  1.0 1.0
   29    33    47    45  -0.07550 -1.0 2.0
   29    33    47    45   0.20000  1.0 3.0
   29    33    47    48   0.44750  1.0 1.0
   29    33    47    48  -0.17800 -1.0 2.0
   29    33    47    48   0.20200  1.0 3.0
   29    33    47    52   0.56750  1.0 1.0
   29    33    47    52  -0.07550 -1.0 2.0
   29    33    47    52   0.20000  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    43   0.65300  1.0 1.0
   33    38    41    43  -0.03850 -1.0 2.0
   33    38    41    43   0.33900  1.0 3.0
   33    47    48    49   0.15000  1.0 3.0
   33    47    48    50   0.56750  1.0 1.0
   33    47    48    50  -0.07550 -1.0 2.0
   33    47    48    50   0.20000  1.0 3.0
   33    47   -48    52   0.02550  1.0 1.0
   33    47   -48    52  -0.02600 -1.0 2.0
   33    47   -48    52   1.20400  1.0 3.0
   33    47   -52    48   0.06250  1.0 1.0
   33    47   -52    48  -0.01100 -1.0 2.0
   33    47   -52    48   0.28050  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    47    45   0.15000  1.0 3.0
   34    33    47    48   0.15000  1.0 3.0
   34    33    47    52   0.23400  1.0 3.0
   38    33    47    45   0.34400  1.0 1.0
   38    33    47    45   0.09450 -1.0 2.0
   38    33    47    45   0.11100  1.0 3.0
   38    33    47    48   0.07850  1.0 1.0
   38    33    47    48  -0.03950 -1.0 2.0
   38    33    47    48   0.67350  1.0 3.0
   38    33    47    52   0.02550  1.0 1.0
   38    33    47    52  -0.02600 -1.0 2.0
   38    33    47    52   1.20400  1.0 3.0
   38    41    43    44   0.04550  1.0 1.0
   38    41    43    44   0.83000 -1.0 2.0
   38    41    43    44  -0.04000  1.0 3.0
   38    41   -43    45  -0.33500  1.0 1.0
   38    41   -43    45   1.06600 -1.0 2.0
   38    41   -43    45  -0.14000  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    45    46   7.00000 -1.0 2.0
   41    43    45    47   7.00000 -1.0 2.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   1.00000 -1.0 2.0
   43    45   -47    33   0.09850  1.0 1.0
   43    45   -47    33   0.15250 -1.0 2.0
   43    45   -47    33  -0.50650  1.0 3.0
   43    45    47    48   0.09850  1.0 1.0
   43    45    47    48   0.15250 -1.0 2.0
   43    45    47    48  -0.50650  1.0 3.0
   43    45    47    52   0.39000  1.0 1.0
   43    45    47    52  -0.05800 -1.0 2.0
   43    45    47    52  -0.55150  1.0 3.0
   44    43    45    46   7.00000 -1.0 2.0
   44    43    45    47   7.00000 -1.0 2.0
   45    47    48    49   0.15000  1.0 3.0
   45    47    48    50   0.34400  1.0 1.0
   45    47    48    50   0.09450 -1.0 2.0
   45    47    48    50   0.11100  1.0 3.0
   45    47   -48    52   0.61850  1.0 1.0
   45    47   -48    52  -0.22750 -1.0 2.0
   45    47   -48    52   0.15300  1.0 3.0
   45    47   -52    48  -0.77900  1.0 1.0
   45    47   -52    48  -0.36900 -1.0 2.0
   45    47   -52    48   0.40400  1.0 3.0
   46    45    47    33   0.00000  1.0 1.0
   46    45    47    48   0.00000  1.0 1.0
   46    45    47    52   0.00000  1.0 1.0
   47    33    38    39   0.15000  1.0 3.0
   47    33    38    40   0.15000  1.0 3.0
   47    33   -38    41  -0.95700  1.0 1.0
   47    33   -38    41  -0.18200 -1.0 2.0
   47    33   -38    41   0.29450  1.0 3.0
   47    48    50    51   0.15000  1.0 3.0
   47    48    50    53  -0.95700  1.0 1.0
   47    48    50    53  -0.18200 -1.0 2.0
   47    48    50    53   0.29450  1.0 3.0
   47    48    50    55  -0.26800  1.0 1.0
   47    48    50    55   0.69150 -1.0 2.0
   47    48    50    55  -0.48750  1.0 3.0
   48    50    53    54   0.30150 -1.0 2.0
   48    50    53    56   0.05850 -1.0 2.0
   48    50    53    56   0.17250  1.0 3.0
   48    50    55    66  -0.32850  1.0 1.0
   48    50    55    66  -0.35800 -1.0 2.0
   48    50    55    66   0.33950  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    53  -0.11250  1.0 3.0
   49    48    50    55   0.23400  1.0 3.0
   49    48   -52    47   0.36800  1.0 3.0
   50    48   -52    47   0.06250  1.0 1.0
   50    48   -52    47  -0.01100 -1.0 2.0
   50    48   -52    47   0.28050  1.0 3.0
   50    53    56    57   2.26350  1.0 1.0
   50    53    56    57   0.76750 -1.0 2.0
   50    53    56    57   0.22500  1.0 3.0
   50    53   -56    66   2.26350  1.0 1.0
   50    53   -56    66   0.76750 -1.0 2.0
   50    53   -56    66   0.22500  1.0 3.0
   51    50    53    54   0.00000  1.0 1.0
   51    50    53    56   0.00000  1.0 1.0
   51    50    55    66   0.08050  1.0 3.0
   53    50   -55    66  -0.25600  1.0 1.0
   53    50   -55    66  -0.40050 -1.0 2.0
   53    50   -55    66   0.34700  1.0 3.0
   53    56    57    58   3.62500 -1.0 2.0
   53    56    57    59   3.62500 -1.0 2.0
   53    56    66    62   3.62500 -1.0 2.0
   53    56   -66    55   3.62500 -1.0 2.0
   54    53    56    57   1.05000 -1.0 2.0
   54    53    56    66   1.05000 -1.0 2.0
   56    57    59    60   3.62500 -1.0 2.0
   56    57    59    61   3.62500 -1.0 2.0
   56    66   -55    50   1.63200 -1.0 2.0
   57    56    66    62   3.62500 -1.0 2.0
   57    56    66    55   3.62500 -1.0 2.0
   57    59   -61    62   3.62500 -1.0 2.0
   57    59    61    64   3.62500 -1.0 2.0
   58    57    59    60   3.62500 -1.0 2.0
   58    57    59    61   3.62500 -1.0 2.0
   59    61    62    63   3.62500 -1.0 2.0
   59    61    62    66   3.62500 -1.0 2.0
   59    61    64    65   0.84100 -1.0 2.0
   60    59    61    62   3.62500 -1.0 2.0
   60    59    61    64   3.62500 -1.0 2.0
   61    62   -66    56   3.62500 -1.0 2.0
   61    62    66    55   3.62500 -1.0 2.0
   62    61    64    65   0.84100 -1.0 2.0
   62    66    55    50   1.63200 -1.0 2.0
   63    62    66    56   3.62500 -1.0 2.0
   63    62    66    55   3.62500 -1.0 2.0
   66    56    57    58   3.62500 -1.0 2.0
   66    56   -57    59   3.62500 -1.0 2.0
   55    50    53    54   0.30150 -1.0 2.0
   55    50   -53    56   0.65300  1.0 1.0
   55    50   -53    56  -0.03850 -1.0 2.0
   55    50   -53    56   0.33900  1.0 3.0
   64    61    62    63   3.62500 -1.0 2.0
   64    61    62    66   3.62500 -1.0 2.0
   52    47   -48    49   0.23400  1.0 3.0
   52    47   -48    50   0.02550  1.0 1.0
   52    47   -48    50  -0.02600 -1.0 2.0
   52    47   -48    50   1.20400  1.0 3.0
   52    48    50    51   0.23400  1.0 3.0
   52    48    50    53  -0.09450  1.0 1.0
   52    48    50    53  -1.12950 -1.0 2.0
   52    48    50    53   0.54000  1.0 3.0
   52    48    50    55   1.11900  1.0 1.0
   52    48    50    55  -1.16350 -1.0 2.0
   52    48    50    55  -0.34150  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
   36    30    35    37  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   41    44    43    45   1.10000 -1.0 2.0
   47    46    45    43   1.10000 -1.0 2.0
   50    56    53    54  10.50000 -1.0 2.0
   57    66    56    53   4.00000 -1.0 2.0
   59    58    57    56   1.10000 -1.0 2.0
   61    60    59    57   1.10000 -1.0 2.0
   62    64    61    59   4.00000 -1.0 2.0
   66    63    62    61   1.10000 -1.0 2.0
   62    55    66    56   4.00000 -1.0 2.0
END
