* LIGAND DATABASE FILE (OPLS2005)
*
001      73    74    138    214     410
    1     0 S   NP   _N1_     1    28.44769    96.39889   -21.74344
    2     1 S   H    _HN1     2     1.02779    94.00828   -77.17122
    3     1 S   H    _H1_     3     1.02959    77.58700    30.73249
    4     1 S   H    _H2_     4     1.02837    39.05022   169.09862
    5     1 S   CT   _CA1     5     1.50118   147.01628   139.17326
    6     5 S   HC   _HA1     6     1.09576   105.22387    78.78899
    7     5 S   CO3  _C1_     7     1.53775   112.41199   -41.40914
    8     7 S   O2Z  _O11     8     1.26357   115.00000   -43.47752
    9     7 S   O2Z  _O12     9     1.26239   114.91820   135.70350
   10     5 S   CT   _CB1    10     1.53095   107.43537  -163.30512
   11    10 S   HC   HB11    11     1.09826   109.30275   -50.88348
   12    10 S   HC   HB12    12     1.09818   110.42605    65.65745
   13    10 S   CT   _CG1    13     1.53017   112.68967  -171.98741
   14    13 S   HC   HG11    14     1.09593   110.46904   -64.55887
   15    13 S   HC   HG12    15     1.09657   109.95432    54.66895
   16    13 S   C    _CD1    16     1.51815   112.32080   175.00966
   17    16 S   O    _OE1    17     1.22730   123.29237    -0.39416
   18    16 S   N    _N2_    18     1.38655   111.67820   179.70392
   19    18 S   H    _HN2    19     1.01601   119.04018     0.68156
   20    18 S   CT1  _CA2    20     1.46156   123.29755   178.99206
   21    20 S   HC   _HA2    21     1.09751   109.29180    -8.78255
   22    20 S   C    _C2_    22     1.53471   108.52299  -124.18753
   23    22 S   O    _O2_    23     1.23020   122.17723  -147.09671
   24    20 S   CT   _CB2    32     1.53401   111.79179   113.20893
   25    24 S   HC   HB21    33     1.09613   110.10259    55.61177
   26    24 S   HC   HB22    34     1.09517   109.83506   174.64474
   27    22 S   N    _N3_    24     1.38485   113.46080    40.45388
   28    27 S   H    _HN3    25     1.01511   118.96335    -0.74887
   29    24 S   S    _SG2    35     1.82653   111.68868   -65.37068
   30    27 S   CT   _CA3    26     1.45454   123.46297   174.72385
   31    30 S   HC   HA31    27     1.09521   109.23781    24.39011
   32    30 S   HC   HA32    28     1.09493   107.12173   141.43637
   33    29 S   S    _S2_    36     2.05681   101.83298  -178.02652
   34    30 S   CO3  _C3_    29     1.52941   113.12480   -99.05745
   35    34 S   O2Z  _O31    30     1.26402   115.43851   -42.69464
   36    34 S   O2Z  _O32    31     1.26357   114.95085   138.20271
   37    33 S   CT   _C9_    37     1.85351   103.32534    83.12290
   38    37 S   HC   _H6_    38     1.09767   106.54275   -45.23965
   39    37 S   CT   _C8_    39     1.54861   109.61519    70.19570
   40    39 S   HC   _H5_    40     1.09746   109.08607   -60.16236
   41    37 S   CT   _C10    66     1.55760   110.60926  -160.08679
   42    41 S   HC   _H7_    67     1.09511   108.28314  -176.05067
   43    39 S   CT   _C7_    41     1.53095   118.95313    62.70608
   44    43 S   HC   _H15    42     1.09136   112.94019    28.97354
   45    43 S   HC   _H16    43     1.09494   111.70487   -91.90874
   46    41 S   CT   _C11    68     1.54797   112.59010    63.28272
   47    46 S   SM   _S1_    69     1.84337   109.37135   164.63135
   48    46 S   HC   _H17    70     1.09607   109.81617   -73.85001
   49    46 S   HC   _H18    71     1.09643   109.22139    43.01400
   50    41 S   OH   _O33    72     1.42717   110.82943   -59.51039
   51    50 S   HO   _H19    73     0.97465   106.43387   172.39321
   52    43 S   CT   _C6_    44     1.51857   104.39852   147.59875
   53    52 S   HC   _H13    45     1.09631   110.88220    77.05296
   54    52 S   HC   _H14    46     1.09389   111.21843  -162.34566
   55    52 S   CT   _C5_    47     1.52278   102.16383   -41.79576
   56    55 S   HC   _H4_    48     1.09971   108.50154   -65.91790
   57    55 S   CT   _C12    49     1.53479   115.60355   170.04746
   58    57 S   HC   _H8_    50     1.09562   111.09580   -67.14659
   59    39 S   NP   _N4_    60     1.54946   111.08491  -175.35628
   60    59 S   H    _H3_    61     1.02720   110.26723    -9.62719
   61    57 S   CT   _C13    51     1.54217   113.54471    54.80653
   62    61 S   HC   _H9_    52     1.09633   109.38921   -70.82439
   63    59 S   CT   _C4_    62     1.50806   110.54558   106.89221
   64    63 S   HC   _H10    63     1.09286   108.93261    67.02021
   65    63 S   HC   _H11    64     1.09073   108.86291  -171.17025
   66    63 S   HC   _H12    65     1.09384   107.75411   -53.32902
   67    61 S   CT   _C14    53     1.52909   110.36952   169.54059
   68    67 S   HC   _H20    54     1.09467   110.74074    71.35833
   69    67 S   HC   _H21    55     1.09388   111.91497  -167.06527
   70    61 S   OH   _O34    58     1.42737   111.11926    46.26529
   71    70 S   HO   _H22    59     0.97280   107.82283   179.22823
   72    67 S   S    _S3_    56     1.81182   107.91093   -47.10978
   73    57 S   S    _S4_    57     1.83340   110.49516   173.37807
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
  10   2   1   1  19   8  20   9   9   6  11   6   5   5   3   2
   1   1   1  11   5   4  15   7  13   7   7   4   8   7   3   2
   1   1   6   4   3   3   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    43    59    41    42    46    50  
   35    36  
   36  
    0  
   38    39    40    43    44    45    52    55    59    60    63    41    42    46    47    48    49    50    51  
   39    40    43    59    41    42    46    50  
   40    43    44    45    52    53    54    55    56    57    59    60    63    64    65    66    41    42    46    50  
   43    44    45    52    55    59    60    63    41  
   42    46    47    48    49    50    51    43    59  
   46    47    48    49    50    51  
   44    45    52    53    54    55    56    57    59    60    63  
   45    52    53    54    55    59  
   52    53    54    55    59  
   47    48    49    50    51  
   48    49    50  
   49    50  
   50  
   51  
    0  
   53    54    55    56    57    58    61    73    59    60    63  
   54    55    56    57    59  
   55    56    57    59  
   56    57    58    61    62    67    72    73    70    59    60    63    64    65    66  
   57    58    61    73    59    60    63  
   58    61    62    67    68    69    72    73    70    71    59    60    63  
   61    62    67    72    73    70    59  
   60    63    64    65    66    61    73  
   63    64    65    66  
   62    67    68    69    72    73    70    71  
   67    68    69    72    73    70    71  
   64    65    66  
   65    66  
   66  
    0  
   68    69    72    73    70    71  
   69    72    73    70  
   72    73    70  
   71    72    73  
    0  
   73  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.097500   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  -0.217500   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   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.157500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   39   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.300000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.6000   0.3550  -0.900000   2.0300   1.8000   0.025682759  -1.666211680
   48   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.5000   0.0660   0.157500   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   60   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.5000   0.0660   0.097500   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
   73   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   166.000  2.038
   33    37   222.000  1.810
   37    38   340.000  1.090
   37    39   268.000  1.529
   37    41   268.000  1.529
   39    40   340.000  1.090
   39    43   268.000  1.529
   39    59   367.000  1.471
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    59   367.000  1.471
   57    58   340.000  1.090
   57    61   268.000  1.529
   57    73   222.000  1.810
   61    62   340.000  1.090
   61    67   268.000  1.529
   61    70   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   222.000  1.810
   72    73   166.000  2.038
   70    71   553.000  0.945
   59    60   434.000  1.010
   59    63   367.000  1.471
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   41    42   340.000  1.090
   41    46   268.000  1.529
   41    50   320.000  1.410
   46    47   222.000  1.810
   46    48   340.000  1.090
   46    49   340.000  1.090
   50    51   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    68.00000  103.70000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    68.00000  103.70000
   33    37    38    35.00000  109.50000
   33    37    39    75.00000  111.63000
   33    37    41    75.00000  111.63000
   37    39    40    37.50000  110.70000
   37    39    43    58.35000  112.70000
   37    39    59    80.00000  111.20000
   37    41    42    37.50000  110.70000
   37    41    46    58.35000  112.70000
   37    41    50    50.00000  109.50000
   39    37    38    37.50000  110.70000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    52    58.35000  112.70000
   39    59    55    75.00000  113.01200
   39    59    60    35.00000  109.50000
   39    59    63    75.00000  113.01200
   43    39    40    37.50000  110.70000
   43    52    53    37.50000  110.70000
   43    52    54    37.50000  110.70000
   43    52    55    58.35000  112.70000
   45    43    44    33.00000  107.80000
   52    43    44    37.50000  110.70000
   52    43    45    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    58.35000  112.70000
   52    55    59    80.00000  111.20000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    57    58    37.50000  110.70000
   55    57    61    58.35000  112.70000
   55    57    73    75.00000  111.63000
   55    59    60    35.00000  109.50000
   55    59    63    75.00000  113.01200
   57    55    56    37.50000  110.70000
   57    61    62    37.50000  110.70000
   57    61    67    58.35000  112.70000
   57    61    70    50.00000  109.50000
   57    73    72    68.00000  103.70000
   61    57    58    37.50000  110.70000
   61    67    68    37.50000  110.70000
   61    67    69    37.50000  110.70000
   61    67    72    75.00000  111.63000
   61    70    71    55.00000  108.50000
   67    61    62    37.50000  110.70000
   67    72    73    68.00000  103.70000
   69    67    68    33.00000  107.80000
   72    67    68    35.00000  109.50000
   72    67    69    35.00000  109.50000
   73    57    58    35.00000  109.50000
   73    57    61    75.00000  111.63000
   70    61    62    35.00000  109.50000
   70    61    67    50.00000  109.50000
   59    39    40    35.00000  109.50000
   59    39    43    80.00000  111.20000
   59    55    56    35.00000  109.50000
   59    55    57    80.00000  111.20000
   59    63    64    35.00000  109.50000
   59    63    65    35.00000  109.50000
   59    63    66    35.00000  109.50000
   63    59    60    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   41    37    38    37.50000  110.70000
   41    37    39    58.35000  112.70000
   41    46    47    75.00000  111.63000
   41    46    48    37.50000  110.70000
   41    46    49    37.50000  110.70000
   41    50    51    55.00000  108.50000
   46    41    42    37.50000  110.70000
   48    46    47    35.00000  109.50000
   49    46    47    35.00000  109.50000
   49    46    48    33.00000  107.80000
   50    41    42    35.00000  109.50000
   50    41    46    50.00000  109.50000
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   0.97050  1.0 1.0
   20    24    29    33  -0.41800 -1.0 2.0
   20    24    29    33   0.46750  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -3.49700 -1.0 2.0
   24    29    33    37   0.74750  1.0 3.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.24000  1.0 3.0
   29    33    37    39   0.09450  1.0 1.0
   29    33    37    39  -0.17100 -1.0 2.0
   29    33    37    39   0.39100  1.0 3.0
   29    33    37    41   0.09450  1.0 1.0
   29    33    37    41  -0.17100 -1.0 2.0
   29    33    37    41   0.39100  1.0 3.0
   33    37    39    40   0.15000  1.0 3.0
   33    37    39    43   0.44750  1.0 1.0
   33    37    39    43  -0.17800 -1.0 2.0
   33    37    39    43   0.20200  1.0 3.0
   33    37    39    59   0.56750  1.0 1.0
   33    37    39    59  -0.07550 -1.0 2.0
   33    37    39    59   0.20000  1.0 3.0
   33    37    41    42   0.15000  1.0 3.0
   33    37    41    46   0.44750  1.0 1.0
   33    37    41    46  -0.17800 -1.0 2.0
   33    37    41    46   0.20200  1.0 3.0
   33    37    41    50   0.56750  1.0 1.0
   33    37    41    50  -0.07550 -1.0 2.0
   33    37    41    50   0.20000  1.0 3.0
   37    39    43    44   0.15000  1.0 3.0
   37    39    43    45   0.15000  1.0 3.0
   37    39    43    52   0.56750  1.0 1.0
   37    39    43    52  -0.07550 -1.0 2.0
   37    39    43    52   0.20000  1.0 3.0
   37    39    59    55   0.47100  1.0 1.0
   37    39    59    60   0.17350  1.0 3.0
   37    39    59    63   0.47100  1.0 1.0
   37    41    46    47   0.44750  1.0 1.0
   37    41    46    47  -0.17800 -1.0 2.0
   37    41    46    47   0.20200  1.0 3.0
   37    41    46    48   0.15000  1.0 3.0
   37    41    46    49   0.15000  1.0 3.0
   37    41    50    51  -0.11600  1.0 1.0
   37    41    50    51  -0.09450 -1.0 2.0
   37    41    50    51   0.21250  1.0 3.0
   38    37    39    40   0.15000  1.0 3.0
   38    37    39    43   0.15000  1.0 3.0
   38    37    39    59   0.19200  1.0 3.0
   38    37    41    42   0.15000  1.0 3.0
   38    37    41    46   0.15000  1.0 3.0
   38    37    41    50   0.23400  1.0 3.0
   39    37    41    42   0.15000  1.0 3.0
   39    37    41    46   0.56750  1.0 1.0
   39    37    41    46  -0.07550 -1.0 2.0
   39    37    41    46   0.20000  1.0 3.0
   39    37    41    50   0.86500  1.0 1.0
   39    37    41    50  -0.17500 -1.0 2.0
   39    37    41    50   0.20800  1.0 3.0
   39    43    52    53   0.15000  1.0 3.0
   39    43    52    54   0.15000  1.0 3.0
   39    43   -52    55   0.56750  1.0 1.0
   39    43   -52    55  -0.07550 -1.0 2.0
   39    43   -52    55   0.20000  1.0 3.0
   39    59    63    64   0.15000  1.0 3.0
   39    59    63    65   0.15000  1.0 3.0
   39    59    63    66   0.15000  1.0 3.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    52   0.15000  1.0 3.0
   40    39    59    55   0.15000  1.0 3.0
   40    39    59    60   0.13050  1.0 3.0
   40    39    59    63   0.15000  1.0 3.0
   43    39   -59    55   0.47100  1.0 1.0
   43    39    59    60   0.17350  1.0 3.0
   43    39    59    63   0.47100  1.0 1.0
   43    52    55    56   0.15000  1.0 3.0
   43    52    55    57   0.56750  1.0 1.0
   43    52    55    57  -0.07550 -1.0 2.0
   43    52    55    57   0.20000  1.0 3.0
   43    52   -55    59   1.36600  1.0 1.0
   43    52   -55    59  -0.11450 -1.0 2.0
   43    52   -55    59   0.24250  1.0 3.0
   44    43    52    53   0.15000  1.0 3.0
   44    43    52    54   0.15000  1.0 3.0
   44    43    52    55   0.15000  1.0 3.0
   45    43    52    53   0.15000  1.0 3.0
   45    43    52    54   0.15000  1.0 3.0
   45    43    52    55   0.15000  1.0 3.0
   52    55    57    58   0.15000  1.0 3.0
   52    55    57    61   0.56750  1.0 1.0
   52    55    57    61  -0.07550 -1.0 2.0
   52    55    57    61   0.20000  1.0 3.0
   52    55    57    73   0.44750  1.0 1.0
   52    55    57    73  -0.17800 -1.0 2.0
   52    55    57    73   0.20200  1.0 3.0
   52    55   -59    39   0.47100  1.0 1.0
   52    55    59    60   0.17350  1.0 3.0
   52    55    59    63   0.47100  1.0 1.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    59   0.19200  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    59   0.19200  1.0 3.0
   55    57    61    62   0.15000  1.0 3.0
   55    57    61    67   0.56750  1.0 1.0
   55    57    61    67  -0.07550 -1.0 2.0
   55    57    61    67   0.20000  1.0 3.0
   55    57    61    70   0.86500  1.0 1.0
   55    57    61    70  -0.17500 -1.0 2.0
   55    57    61    70   0.20800  1.0 3.0
   55    57    73    72   0.09450  1.0 1.0
   55    57    73    72  -0.17100 -1.0 2.0
   55    57    73    72   0.39100  1.0 3.0
   55    59    63    64   0.15000  1.0 3.0
   55    59    63    65   0.15000  1.0 3.0
   55    59    63    66   0.15000  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    61   0.15000  1.0 3.0
   56    55    57    73   0.15000  1.0 3.0
   56    55    59    39   0.15000  1.0 3.0
   56    55    59    60   0.13050  1.0 3.0
   56    55    59    63   0.15000  1.0 3.0
   57    55    59    39   0.47100  1.0 1.0
   57    55    59    60   0.17350  1.0 3.0
   57    55    59    63   0.47100  1.0 1.0
   57    61    67    68   0.15000  1.0 3.0
   57    61    67    69   0.15000  1.0 3.0
   57    61   -67    72   0.44750  1.0 1.0
   57    61   -67    72  -0.17800 -1.0 2.0
   57    61   -67    72   0.20200  1.0 3.0
   57    61    70    71  -0.11600  1.0 1.0
   57    61    70    71  -0.09450 -1.0 2.0
   57    61    70    71   0.21250  1.0 3.0
   58    57    61    62   0.15000  1.0 3.0
   58    57    61    67   0.15000  1.0 3.0
   58    57    61    70   0.23400  1.0 3.0
   58    57    73    72   0.24000  1.0 3.0
   61    57   -73    72   0.09450  1.0 1.0
   61    57   -73    72  -0.17100 -1.0 2.0
   61    57   -73    72   0.39100  1.0 3.0
   61    67   -72    73   0.09450  1.0 1.0
   61    67   -72    73  -0.17100 -1.0 2.0
   61    67   -72    73   0.39100  1.0 3.0
   62    61    67    68   0.15000  1.0 3.0
   62    61    67    69   0.15000  1.0 3.0
   62    61    67    72   0.15000  1.0 3.0
   62    61    70    71   0.19450  1.0 3.0
   67    61    70    71  -0.11600  1.0 1.0
   67    61    70    71  -0.09450 -1.0 2.0
   67    61    70    71   0.21250  1.0 3.0
   67    72   -73    57  -3.49700 -1.0 2.0
   67    72   -73    57   0.74750  1.0 3.0
   68    67    72    73   0.24000  1.0 3.0
   69    67    72    73   0.24000  1.0 3.0
   73    57    61    62   0.15000  1.0 3.0
   73    57   -61    67   0.44750  1.0 1.0
   73    57   -61    67  -0.17800 -1.0 2.0
   73    57   -61    67   0.20200  1.0 3.0
   73    57    61    70   0.56750  1.0 1.0
   73    57    61    70  -0.07550 -1.0 2.0
   73    57    61    70   0.20000  1.0 3.0
   70    61    67    68   0.23400  1.0 3.0
   70    61    67    69   0.23400  1.0 3.0
   70    61    67    72   0.56750  1.0 1.0
   70    61    67    72  -0.07550 -1.0 2.0
   70    61    67    72   0.20000  1.0 3.0
   59    39    43    44   0.19200  1.0 3.0
   59    39    43    45   0.19200  1.0 3.0
   59    39   -43    52   1.36600  1.0 1.0
   59    39   -43    52  -0.11450 -1.0 2.0
   59    39   -43    52   0.24250  1.0 3.0
   59    55    57    58   0.19200  1.0 3.0
   59    55    57    61   1.36600  1.0 1.0
   59    55    57    61  -0.11450 -1.0 2.0
   59    55    57    61   0.24250  1.0 3.0
   59    55    57    73   0.56750  1.0 1.0
   59    55    57    73  -0.07550 -1.0 2.0
   59    55    57    73   0.20000  1.0 3.0
   60    59    63    64   0.13050  1.0 3.0
   60    59    63    65   0.13050  1.0 3.0
   60    59    63    66   0.13050  1.0 3.0
   41    37    39    40   0.15000  1.0 3.0
   41    37    39    43   0.56750  1.0 1.0
   41    37    39    43  -0.07550 -1.0 2.0
   41    37    39    43   0.20000  1.0 3.0
   41    37    39    59   1.36600  1.0 1.0
   41    37    39    59  -0.11450 -1.0 2.0
   41    37    39    59   0.24250  1.0 3.0
   42    41    46    47   0.15000  1.0 3.0
   42    41    46    48   0.15000  1.0 3.0
   42    41    46    49   0.15000  1.0 3.0
   42    41    50    51   0.19450  1.0 3.0
   46    41    50    51  -0.11600  1.0 1.0
   46    41    50    51  -0.09450 -1.0 2.0
   46    41    50    51   0.21250  1.0 3.0
   50    41    46    47   0.56750  1.0 1.0
   50    41    46    47  -0.07550 -1.0 2.0
   50    41    46    47   0.20000  1.0 3.0
   50    41    46    48   0.23400  1.0 3.0
   50    41    46    49   0.23400  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
END
