* LIGAND DATABASE FILE (OPLS2005)
*
001      68    70    123    199     365
    1     0 S   NP   _N1_     1    28.59073    95.33812   -22.48378
    2     1 S   H    _HN1     2     1.02959    80.92909    18.21532
    3     1 S   H    _H1_     3     1.02835    32.91604   160.61974
    4     1 S   H    _H2_     4     1.02777    98.34544   -89.16768
    5     1 S   CT   _CA1     5     1.50142   140.61748   129.34789
    6     5 S   HC   _HA1     6     1.09578   105.18257    76.64341
    7     5 S   CO3  _C1_     7     1.53755   112.44754   -43.45442
    8     7 S   O2Z  _O11     8     1.26356   114.98463   -42.01739
    9     7 S   O2Z  _O12     9     1.26241   114.91531   137.04595
   10     5 S   CT   _CB1    10     1.53088   107.40981  -165.50311
   11    10 S   HC   HB11    11     1.09827   109.18707   -50.97645
   12    10 S   HC   HB12    12     1.09815   110.46087    65.53215
   13    10 S   CT   _CG1    13     1.53027   112.75171  -172.09771
   14    13 S   HC   HG11    14     1.09592   110.48173   -66.57750
   15    13 S   HC   HG12    15     1.09664   109.91248    52.65025
   16    13 S   C    _CD1    16     1.51843   112.31490   172.89919
   17    16 S   O    _OE1    17     1.22727   123.25498     1.17286
   18    16 S   N    _N2_    18     1.38655   111.69064  -178.39843
   19    18 S   H    _HN2    19     1.01577   118.97205     0.92493
   20    18 S   CT1  _CA2    20     1.46170   123.38372   178.11404
   21    20 S   HC   _HA2    21     1.09739   109.42585     0.01978
   22    20 S   C    _C2_    22     1.53551   108.43423  -115.53588
   23    22 S   O    _O2_    23     1.23047   122.14668  -144.46447
   24    20 S   CT   _CB2    32     1.53457   111.75674   122.05806
   25    24 S   HC   HB21    33     1.09540   109.76065    55.91235
   26    24 S   HC   HB22    34     1.09408   109.67115   174.83631
   27    22 S   N    _N3_    24     1.38475   113.57866    42.81474
   28    27 S   H    _HN3    25     1.01487   119.01805    -0.42704
   29    24 S   S    _SG2    35     1.82758   111.60791   -64.74860
   30    27 S   CT   _CA3    26     1.45462   123.49483   175.16775
   31    30 S   HC   HA31    27     1.09517   109.34211    22.94233
   32    30 S   HC   HA32    28     1.09499   107.11091   139.96470
   33    29 S   CT   _C10    36     1.84326   101.56166  -169.99339
   34    30 S   CO3  _C3_    29     1.52913   112.97284  -100.59687
   35    34 S   O2Z  _O31    30     1.26409   115.33431   -46.15611
   36    34 S   O2Z  _O32    31     1.26342   115.02332   134.70925
   37    33 S   CM   _C13    37     1.50452   110.23209   179.14614
   38    33 S   CD   _C11    46     1.51688   106.96493    77.45514
   39    38 S   HC   _H11    47     1.10078   120.63427   -67.79711
   40    33 S   CT   _C9_    50     1.54203   114.75948   -46.38045
   41    40 S   HC   _H9_    51     1.09681   109.73722    66.22108
   42    40 S   HC   _H10    52     1.09613   109.33748   -51.44491
   43    37 S   CD   _C14    38     1.50107   132.96650    72.06544
   44    43 S   OM   _O33    39     1.24187   108.21067    -0.84835
   45    40 S   NTH  _N4_    53     1.47067   112.98280  -173.82708
   46    45 S   H    _H8_    54     1.01949   110.00580   -61.59658
   47    43 S   NI   _N6_    40     1.30520   122.86381   179.06938
   48    45 S   CT   _C8_    55     1.45904   112.77273   175.49041
   49    48 S   HC   _H5_    56     1.09815   111.06548    42.58265
   50    47 S   CDX  _C15    41     1.38073   117.91096    -0.33102
   51    48 S   CM   _C4_    57     1.50502   114.24429   -81.05477
   52    51 S   HC   _H6_    58     1.08124   124.22041    43.75393
   53    50 S   NE   _N7_    42     1.37267   121.19907    -0.45197
   54    53 S   H    _H12    43     1.01164   121.02574  -179.45177
   55    50 S   NI   _N8_    48     1.29749   115.85001   179.65736
   56    55 S   H    _H13    49     1.02644   107.04569    -0.04423
   57    51 S   CM   _C5_    59     1.33854   111.87610  -138.94786
   58    57 S   HC   _H7_    60     1.08033   124.31746  -177.23912
   59    37 S   CM   _C12    44     1.34794   110.69886  -109.90027
   60    57 S   CT   _C6_    61     1.49531   111.20439    -0.07662
   61    60 S   HC   _H3_    62     1.09592   109.68432   -99.53983
   62    59 S   NI   _N5_    45     1.37414   112.34488     0.13988
   63    48 S   CT   _C7_    63     1.55110   112.15182   164.63596
   64    63 S   HC   _H4_    64     1.09492   111.78801   -88.42527
   65    60 S   OH   _O35    67     1.41401   112.00648   138.88088
   66    65 S   HO   _H15    68     0.97214   107.67030    59.90772
   67    63 S   OH   _O34    65     1.43148   111.43819    30.98319
   68    67 S   HO   _H14    66     0.97279   107.68434    50.62258
  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  11   5   4   3
  15   2   1   1  14   9   3  11   4   3   7   3  10   4   6  12
   7   6   9   4   5   3   2   1   8   4   1   7   5   1   5   3
   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    43    59    62    38    39    40    41    42    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    43    44    47    53    59    62    38    39    40    41    42    45    46    48  
   35    36  
   36  
    0  
   43    44    47    50    53    54    59    62    38    39    40    41    42    45  
   39    40    41    42    45    43    53    59    62  
   40    59    62  
   41    42    45    46    48    49    51    63    43    59    62  
   42    45    46    48  
   45    46    48  
   44    47    50    53    59    62    55  
   47    50    59  
   46    48    49    51    52    57    60    63    64    67  
   48    49    51    63  
   50    53    54    59    55    56  
   49    51    52    57    58    60    61    63    64    67    68    65  
   51    52    57    60    63    64    67  
   53    54    59    62    55    56  
   52    57    58    60    61    63    64    67    65  
   57    58    60    63  
   54    59    62    55    56  
   59    62    55  
   56    59  
    0  
   58    60    61    63    64    67    65    66  
   60    61    63    65  
   62  
   61    63    64    67    68    65    66  
   63    64    67    65    66  
    0  
   64    67    68    65    66  
   67    68    65  
   66    67  
    0  
   68  
    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   0.203600   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.003300   2.0020   1.7750   0.023028004  -0.852763146
   38   3.7500   0.1050   0.313400   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.040200   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.478000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.685000   1.7825   1.5750   0.001000000  -0.126889456
   45   3.3000   0.1700  -0.780000   1.8650   1.6500   0.051222218  -2.220205820
   46   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.2800   0.1700  -0.912200   1.8540   1.6400   0.005000000   0.000000000
   48   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.456500   2.1120   1.8750   0.001000000  -0.126889456
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.2500   0.1700  -0.507500   1.8650   1.6500   0.051222218  -2.220205820
   54   0.5000   0.0300   0.410000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.2800   0.1700  -0.785000   1.8540   1.6400   0.005000000   0.000000000
   56   0.5000   0.0300   0.426000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760   0.245000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    38   270.000  1.508
   33    40   268.000  1.529
   37    43   320.000  1.464
   37    59   549.000  1.340
   43    44   795.000  1.237
   43    47   500.000  1.261
   47    50   630.000  1.388
   50    53   445.000  1.380
   50    55   650.000  1.285
   53    54   434.000  1.010
   53    59   425.000  1.378
   59    62   405.000  1.380
   62    38   500.000  1.261
   38    39   370.000  1.093
   55    56   434.000  1.010
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   305.000  1.454
   45    46   500.000  1.015
   45    48   305.000  1.454
   48    49   340.000  1.090
   48    51   317.000  1.510
   48    63   268.000  1.529
   51    52   340.000  1.080
   51    57   549.000  1.340
   57    58   340.000  1.080
   57    60   317.000  1.510
   60    61   340.000  1.090
   60    63   268.000  1.529
   60    65   320.000  1.410
   63    64   340.000  1.090
   63    67   320.000  1.410
   67    68   553.000  0.945
   65    66   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    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    38    75.00000  114.43000
   29    33    40    75.00000  111.63000
   33    37    43    65.00000  117.22000
   33    37    59    70.00000  124.00000
   33    38    62    65.00000  122.10100
   33    38    39    40.00000  113.58700
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    80.00000  111.29100
   37    43    44    90.00000  107.08000
   37    43    47    70.00000  121.86000
   37    59    53    70.00000  124.03900
   37    59    62    70.00000  120.83400
   43    47    50    80.00000  112.72500
   47    43    44    75.00000  134.47000
   47    50    53    75.00000  124.36500
   47    50    55    75.00000  130.08800
   50    53    54    35.00000  119.50000
   50    53    59    75.00000  119.57500
   50    55    56    55.00000  110.29700
   53    59    62    85.00000  113.56000
   59    37    43    60.00000  120.31500
   59    53    54    35.00000  114.50000
   59    62    38    75.00000  115.77100
   62    38    39    45.00000  120.55300
   38    33    37    70.00000  110.51600
   55    50    53    75.00000  124.36500
   40    33    37    70.00000  112.02700
   40    33    38    70.00000  111.76100
   40    45    46    50.00000  109.23200
   40    45    48    75.00000  112.02600
   42    40    41    33.00000  107.80000
   45    40    41    50.00000  110.59500
   45    40    42    50.00000  110.59500
   45    48    49    50.00000  110.59500
   45    48    51    75.00000  110.70900
   45    48    63    80.00000  111.29100
   48    45    46    50.00000  109.23200
   48    51    52    35.00000  117.00000
   48    51    57    70.00000  124.00000
   48    63    60    58.35000  112.70000
   48    63    64    37.50000  110.70000
   48    63    67    50.00000  109.50000
   51    48    49    35.00000  109.50000
   51    57    58    35.00000  120.00000
   51    57    60    70.00000  124.00000
   57    51    52    35.00000  120.00000
   57    60    61    35.00000  109.50000
   57    60    63    70.00000  112.02700
   57    60    65    90.00000  110.39200
   60    57    58    35.00000  117.00000
   60    63    64    37.50000  110.70000
   60    63    67    50.00000  109.50000
   60    65    66    55.00000  108.50000
   63    48    49    37.50000  110.70000
   63    48    51    70.00000  112.02700
   63    60    61    37.50000  110.70000
   63    67    68    55.00000  108.50000
   67    63    64    35.00000  109.50000
   65    60    61    35.00000  109.50000
   65    60    63    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   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    43   0.42700  1.0 1.0
   29    33    37    43  -0.70350 -1.0 2.0
   29    33    37    43  -0.43150  1.0 3.0
   29    33    37    59   0.42700  1.0 1.0
   29    33    37    59  -0.70350 -1.0 2.0
   29    33    37    59  -0.43150  1.0 3.0
   29    33    38    62   0.00000  1.0 1.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    37    43    44   7.00000 -1.0 2.0
   33    37    43    47   7.00000 -1.0 2.0
   33    37    59    53   7.00000 -1.0 2.0
   33    37   -59    62   7.00000 -1.0 2.0
   33    40    45    46   0.03200  1.0 1.0
   33    40    45    46   0.33800 -1.0 2.0
   33    40    45    48  -0.35450  1.0 1.0
   33    40    45    48   0.44050 -1.0 2.0
   33    40    45    48   0.77100  1.0 3.0
   37    33   -38    62   0.00000  1.0 1.0
   37    33    38    39   0.00000  1.0 1.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    45   0.59950  1.0 1.0
   37    33    40    45  -0.21400 -1.0 2.0
   37    33    40    45   0.56200  1.0 3.0
   37    43    47    50   6.00000 -1.0 2.0
   37    59   -62    38   1.00000 -1.0 2.0
   43    37    59    53   7.00000 -1.0 2.0
   43    37    59    62   7.00000 -1.0 2.0
   43    47   -50    53   0.00050  1.0 1.0
   43    47   -50    53   2.00000 -1.0 2.0
   43    47    50    55   0.00050  1.0 1.0
   43    47    50    55   2.00000 -1.0 2.0
   44    43    47    50   6.00000 -1.0 2.0
   47    50    53    54   1.50000 -1.0 2.0
   47    50    53    59   1.00000 -1.0 2.0
   47    50    55    56   6.00000 -1.0 2.0
   50    53   -59    37  -0.54500  1.0 1.0
   50    53   -59    37   1.14150 -1.0 2.0
   50    53    59    62   1.00000 -1.0 2.0
   53    50    55    56  -1.91600  1.0 1.0
   53    50    55    56   8.35800 -1.0 2.0
   53    59    62    38   1.00000 -1.0 2.0
   54    53    59    37   1.00000 -1.0 2.0
   54    53    59    62   1.00000 -1.0 2.0
   59    37    43    44   1.09700  1.0 1.0
   59    37    43    44   0.56350 -1.0 2.0
   59    37    43    44   0.49350  1.0 3.0
   59    37   -43    47   1.09650  1.0 1.0
   59    37   -43    47   0.48950 -1.0 2.0
   59    37   -43    47   0.49400  1.0 3.0
   59    62   -38    33   6.00000 -1.0 2.0
   59    62    38    39   4.00000 -1.0 2.0
   38    33    37    43  -0.28300  1.0 1.0
   38    33    37    43   0.26700 -1.0 2.0
   38    33    37    43  -0.63300  1.0 3.0
   38    33   -37    59  -0.28300  1.0 1.0
   38    33   -37    59   0.26700 -1.0 2.0
   38    33   -37    59  -0.63300  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    45   0.59950  1.0 1.0
   38    33    40    45  -0.21400 -1.0 2.0
   38    33    40    45   0.56200  1.0 3.0
   55    50    53    54   1.50000 -1.0 2.0
   55    50    53    59   1.00000 -1.0 2.0
   40    33    37    43   0.09850  1.0 1.0
   40    33    37    43   0.15250 -1.0 2.0
   40    33    37    43  -0.50650  1.0 3.0
   40    33    37    59   0.09850  1.0 1.0
   40    33    37    59   0.15250 -1.0 2.0
   40    33    37    59  -0.50650  1.0 3.0
   40    33    38    62   0.00000  1.0 1.0
   40    33    38    39   0.00000  1.0 1.0
   40    45    48    49   0.28000  1.0 3.0
   40    45    48    51  -0.60800  1.0 1.0
   40    45    48    51   1.10050 -1.0 2.0
   40    45    48    51   0.47000  1.0 3.0
   40    45    48    63  -0.35450  1.0 1.0
   40    45    48    63   0.44050 -1.0 2.0
   40    45    48    63   0.77100  1.0 3.0
   41    40    45    46   0.20000  1.0 3.0
   41    40    45    48   0.28000  1.0 3.0
   42    40    45    46   0.20000  1.0 3.0
   42    40    45    48   0.28000  1.0 3.0
   45    48    51    52   0.00000  1.0 1.0
   45    48    51    57   0.90200  1.0 1.0
   45    48    51    57   0.57900 -1.0 2.0
   45    48    51    57  -0.62100  1.0 3.0
   45    48    63    60   1.85550  1.0 1.0
   45    48    63    60  -0.84100 -1.0 2.0
   45    48    63    64   0.15000  1.0 3.0
   45    48    63    67   4.49050  1.0 1.0
   46    45    48    49   0.20000  1.0 3.0
   46    45    48    51   0.12450  1.0 1.0
   46    45    48    51  -0.40750 -1.0 2.0
   46    45    48    51   0.30300  1.0 3.0
   46    45    48    63   0.03200  1.0 1.0
   46    45    48    63   0.33800 -1.0 2.0
   48    51    57    58   7.00000 -1.0 2.0
   48    51   -57    60   7.00000 -1.0 2.0
   48    63    67    68  -0.11600  1.0 1.0
   48    63    67    68  -0.09450 -1.0 2.0
   48    63    67    68   0.21250  1.0 3.0
   49    48    51    52   0.33100  1.0 3.0
   49    48    51    57   0.00000  1.0 1.0
   49    48    63    60   0.15000  1.0 3.0
   49    48    63    64   0.15000  1.0 3.0
   49    48    63    67   0.23400  1.0 3.0
   51    48   -63    60   0.34400  1.0 1.0
   51    48   -63    60   0.09450 -1.0 2.0
   51    48   -63    60   0.11100  1.0 3.0
   51    48    63    64   0.15000  1.0 3.0
   51    48    63    67   1.05650  1.0 1.0
   51    48    63    67   0.15600 -1.0 2.0
   51    48    63    67   0.53150  1.0 3.0
   51    57    60    61   0.00000  1.0 1.0
   51    57   -60    63   0.09850  1.0 1.0
   51    57   -60    63   0.15250 -1.0 2.0
   51    57   -60    63  -0.50650  1.0 3.0
   51    57    60    65   0.67800  1.0 1.0
   51    57    60    65   0.47050 -1.0 2.0
   51    57    60    65  -0.62500  1.0 3.0
   52    51    57    58   7.00000 -1.0 2.0
   52    51    57    60   7.00000 -1.0 2.0
   57    60   -63    48   0.34400  1.0 1.0
   57    60   -63    48   0.09450 -1.0 2.0
   57    60   -63    48   0.11100  1.0 3.0
   57    60    63    64   0.15000  1.0 3.0
   57    60    63    67   1.05650  1.0 1.0
   57    60    63    67   0.15600 -1.0 2.0
   57    60    63    67   0.53150  1.0 3.0
   57    60    65    66  -0.07800  1.0 1.0
   57    60    65    66  -0.21500 -1.0 2.0
   57    60    65    66  -0.03150  1.0 3.0
   58    57    60    61   0.33100  1.0 3.0
   58    57    60    63   0.00000  1.0 1.0
   58    57    60    65   0.00000  1.0 1.0
   60    63    67    68  -0.11600  1.0 1.0
   60    63    67    68  -0.09450 -1.0 2.0
   60    63    67    68   0.21250  1.0 3.0
   61    60    63    48   0.15000  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    67   0.23400  1.0 3.0
   61    60    65    66   0.19450  1.0 3.0
   63    48    51    52   0.00000  1.0 1.0
   63    48   -51    57   0.09850  1.0 1.0
   63    48   -51    57   0.15250 -1.0 2.0
   63    48   -51    57  -0.50650  1.0 3.0
   63    60    65    66  -0.11600  1.0 1.0
   63    60    65    66  -0.09450 -1.0 2.0
   63    60    65    66   0.21250  1.0 3.0
   64    63    67    68   0.19450  1.0 3.0
   65    60    63    48   0.86500  1.0 1.0
   65    60    63    48  -0.17500 -1.0 2.0
   65    60    63    48   0.20800  1.0 3.0
   65    60    63    64   0.23400  1.0 3.0
   65    60    63    67   3.75450  1.0 1.0
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
   33    43    37    59   1.10000 -1.0 2.0
   37    44    43    47  10.50000 -1.0 2.0
   47    53    50    55  10.50000 -1.0 2.0
   54    50    53    59   1.00000 -1.0 2.0
   53    62    59    37   1.10000 -1.0 2.0
   33    39    38    62  10.50000 -1.0 2.0
   48    52    51    57   1.10000 -1.0 2.0
   60    58    57    51   1.10000 -1.0 2.0
END
