* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    135    217     403
    1     0 S   NP   _N1_     1    29.31988    97.34291   -18.86862
    2     1 S   H    _HN1     2     1.02827    55.06659   152.36894
    3     1 S   H    _H1_     3     1.02775    74.39730   -81.83386
    4     1 S   H    _H2_     4     1.02952    77.92011    31.42973
    5     1 S   CT   _CA1     5     1.50165   165.69448   158.29591
    6     5 S   HC   _HA1     6     1.09573   105.13078    53.96467
    7     5 S   CO3  _C1_     7     1.53758   112.55401   -66.03699
    8     7 S   O2Z  _O11     8     1.26373   115.00541   -37.26050
    9     7 S   O2Z  _O12     9     1.26249   115.01512   141.85575
   10     5 S   CT   _CB1    10     1.53103   107.38210   171.91090
   11    10 S   HC   HB11    11     1.09821   109.20988   -49.12517
   12    10 S   HC   HB12    12     1.09819   110.45632    67.45569
   13    10 S   CT   _CG1    13     1.52978   112.73946  -170.20301
   14    13 S   HC   HG11    14     1.09503   110.47101   -67.18834
   15    13 S   HC   HG12    15     1.09673   109.91633    51.95620
   16    13 S   C    _CD1    16     1.51833   112.43189   172.08128
   17    16 S   O    _OE1    17     1.22721   123.32183    -0.23903
   18    16 S   N    _N2_    18     1.38627   111.59349  -179.69353
   19    18 S   H    _HN2    19     1.01598   118.88911    -0.25793
   20    18 S   CT1  _CA2    20     1.46270   123.46748   176.97127
   21    20 S   HC   _HA2    21     1.09743   109.37877    -9.54357
   22    20 S   C    _C2_    22     1.53434   108.14897  -124.84964
   23    22 S   O    _O2_    23     1.23021   122.43424  -147.38208
   24    20 S   CT   _CB2    32     1.53355   111.50195   112.81089
   25    24 S   HC   HB21    33     1.09314   109.56380    54.73032
   26    24 S   HC   HB22    34     1.09498   110.37587   172.97471
   27    22 S   N    _N3_    24     1.38383   113.42158    40.10406
   28    27 S   H    _HN3    25     1.01641   119.49392    -3.59842
   29    24 S   S    _SG2    35     1.83025   110.99836   -68.35056
   30    27 S   CT   _CA3    26     1.45285   123.15120   176.98098
   31    30 S   HC   HA31    27     1.09551   107.53687   -63.58976
   32    30 S   HC   HA32    28     1.09557   107.93819    52.82227
   33    29 S   CT   _C15    36     1.87199   102.14666   150.53599
   34    30 S   CO3  _C3_    29     1.52940   114.11774   174.79237
   35    34 S   O2Z  _O31    30     1.26370   116.05243    -0.86908
   36    34 S   O2Z  _O32    31     1.26429   114.41438   179.18795
   37    33 S   CT   _C14    37     1.54732   109.98996   -70.51434
   38    37 S   HC   _H13    38     1.09774   110.26878   172.61347
   39    37 S   HC   _H14    39     1.09590   110.62777    56.25410
   40    33 S   CT   _C6_    51     1.54716   108.13389   170.91702
   41    40 S   HC   _H4_    52     1.10024   107.91485   -52.64171
   42    37 S   CA   _C9_    40     1.50891   113.69993   -67.25385
   43    40 S   CT   _C5_    53     1.54866   112.24039  -172.64481
   44    43 S   HC   _H3_    54     1.09703   109.91108   -92.17015
   45    42 S   CA   _C10    41     1.40431   118.48761   156.93947
   46    45 S   HA   _H9_    42     1.08765   120.32501    -0.71189
   47    43 S   OS   _O35    55     1.43118   112.71877    24.89353
   48    43 S   CT   _C4_    67     1.52863   112.49107   149.18405
   49    48 S   HC   _H6_    68     1.09473   111.56567   -60.09940
   50    48 S   HC   _H7_    69     1.09544   110.24391  -178.35479
   51    48 S   HC   _H8_    70     1.09381   111.42051    61.13924
   52    45 S   CA   _C11    43     1.39310   120.75855   179.65622
   53    52 S   HA   _H10    44     1.08646   120.07141   179.42939
   54    47 S   CT   _C17    56     1.42562   113.39346    37.58913
   55    54 S   HC   _H5_    57     1.09696   109.70554    49.30870
   56    52 S   CA   _C12    45     1.39077   119.93089    -0.20748
   57    56 S   HA   _H11    46     1.08692   119.59204   179.52440
   58    33 S   CT   _C16    58     1.55023   109.23763    51.32013
   59    58 S   HC   _H15    59     1.09752   112.19817    20.22795
   60    58 S   HC   _H16    60     1.09831   108.99670   -96.47472
   61    54 S   CT   _C18    61     1.52757   108.51911   168.88587
   62    61 S   HC   _H17    62     1.09716   109.70864   168.20574
   63    61 S   HC   _H18    63     1.09776   109.59121    49.91830
   64    56 S   CA   _C13    47     1.39465   119.94025    -0.57845
   65    61 S   CO3  _C19    64     1.53333   115.48418   -71.53549
   66    65 S   O2Z  _O37    65     1.26122   116.78395   -14.00701
   67    65 S   O2Z  _O36    66     1.26551   114.00406   166.77747
   68    42 S   CA   _C8_    48     1.40500   122.19765   -24.78420
   69    64 S   OH   _O34    71     1.36909   115.84290  -179.57664
   70    69 S   HO   _H12    72     0.97371   108.80863  -179.38866
   71    68 S   CO4  _C7_    49     1.49072   119.28315     0.10653
   72    71 S   O    _O33    50     1.22917   120.17171   178.39367
  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  13   5   4   3
  20   2   1   1  16   6   5  17   8  11  13   7   8   4  14   5
   2   1   1   6   3  10   7   6   3   7   2   1   5   4   3   5
   2   1   1   4   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    40    58    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    71    40    41    43    54    58    59    60  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    45    68    71    72    40    41    43    44    47    54    55    58    59    60    61    48  
   35    36  
   36  
    0  
   38    39    42    45    46    52    64    68    71    40    41    43    54    58    59    60  
   39    42    45    68    40    58  
   42    45    68    40    58  
   41    43    44    47    54    58    59    60    48    49    50    51    42    64    68    71    72  
   43    44    47    58    48    68    71    72  
   45    46    52    53    56    64    68    71    72    58    69  
   44    47    54    55    58    61    48    49    50    51    68    71    72  
   47    54    48    49    50    51    71  
   46    52    53    56    57    64    68    71  
   52    53    56    68  
   54    55    58    59    60    61    62    63    65    48    49    50    51    71  
   49    50    51    54    71  
   50    51  
   51  
    0  
   53    56    57    64    68    69  
   56    57    64  
   55    58    59    60    61    62    63    65    66    67  
   58    59    60    61    62    63    65  
   57    64    68    71    69    70  
   64    68    69  
   59    60    61    62    63    65    71  
   60    61  
   61  
   62    63    65    66    67  
   63    65    66    67  
   65    66    67  
   68    71    72    69    70  
   66    67  
   67  
    0  
   71    72    69    70  
   70    71  
    0  
   72  
    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   0.167500   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   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   65   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   68   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   33    40   268.000  1.529
   33    58   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   317.000  1.510
   42    45   469.000  1.400
   42    68   469.000  1.400
   45    46   367.000  1.080
   45    52   469.000  1.400
   52    53   367.000  1.080
   52    56   469.000  1.400
   56    57   367.000  1.080
   56    64   469.000  1.400
   64    68   469.000  1.400
   64    69   450.000  1.364
   68    71   310.000  1.470
   71    72   570.000  1.229
   71    40   317.000  1.522
   40    41   340.000  1.090
   40    43   268.000  1.529
   43    44   340.000  1.090
   43    47   320.000  1.410
   43    48   268.000  1.529
   47    54   320.000  1.410
   54    55   340.000  1.090
   54    58   268.000  1.529
   54    61   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    65   317.000  1.522
   65    66   656.000  1.250
   65    67   656.000  1.250
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   69    70   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  111.63000
   29    33    40    75.00000  111.63000
   29    33    58    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    70.00000  112.17500
   33    40    71    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    43    58.35000  112.70000
   33    58    54    58.35000  112.70000
   33    58    59    37.50000  110.70000
   33    58    60    37.50000  110.70000
   37    42    45    70.00000  120.00000
   37    42    68    70.00000  120.00000
   39    37    38    33.00000  107.80000
   42    37    38    35.00000  109.50000
   42    37    39    35.00000  109.50000
   42    45    46    35.00000  120.00000
   42    45    52    63.00000  120.00000
   42    68    64    63.00000  120.00000
   42    68    71    60.00000  119.52600
   45    52    53    35.00000  120.00000
   45    52    56    63.00000  120.00000
   52    45    46    35.00000  120.00000
   52    56    57    35.00000  120.00000
   52    56    64    63.00000  120.00000
   56    52    53    35.00000  120.00000
   56    64    68    63.00000  120.00000
   56    64    69    70.00000  120.00000
   64    56    57    35.00000  120.00000
   64    68    71    60.00000  119.52600
   64    69    70    35.00000  113.00000
   68    42    45    63.00000  120.00000
   68    71    72    75.00000  123.78400
   68    71    40    65.00000  115.47100
   71    40    41    35.00000  109.50000
   71    40    43    63.00000  111.10000
   40    33    37    58.35000  112.70000
   40    71    72    80.00000  120.40000
   40    43    44    37.50000  110.70000
   40    43    47    50.00000  109.50000
   40    43    48    58.35000  112.70000
   43    40    41    37.50000  110.70000
   43    47    54    60.00000  109.50000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    51    37.50000  110.70000
   47    43    44    35.00000  109.50000
   47    54    55    35.00000  109.50000
   47    54    58    50.00000  109.50000
   47    54    61    50.00000  109.50000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    61    62    37.50000  110.70000
   54    61    63    37.50000  110.70000
   54    61    65    70.00000  109.69300
   58    33    37    58.35000  112.70000
   58    33    40    58.35000  112.70000
   58    54    55    37.50000  110.70000
   60    58    59    33.00000  107.80000
   61    54    55    37.50000  110.70000
   61    54    58    58.35000  112.70000
   61    65    66    70.00000  117.00000
   61    65    67    70.00000  117.00000
   63    61    62    33.00000  107.80000
   65    61    62    35.00000  109.50000
   65    61    63    35.00000  109.50000
   67    65    66    80.00000  126.00000
   48    43    44    37.50000  110.70000
   48    43    47    50.00000  109.50000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   69    64    68    70.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   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    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    42   0.56750  1.0 1.0
   29    33    37    42  -0.07550 -1.0 2.0
   29    33    37    42   0.20000  1.0 3.0
   29    33    40    71   0.56750  1.0 1.0
   29    33    40    71  -0.07550 -1.0 2.0
   29    33    40    71   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   29    33    58    54   0.44750  1.0 1.0
   29    33    58    54  -0.17800 -1.0 2.0
   29    33    58    54   0.20200  1.0 3.0
   29    33    58    59   0.15000  1.0 3.0
   29    33    58    60   0.15000  1.0 3.0
   33    37    42    45   0.04150 -1.0 2.0
   33    37    42    68   0.04150 -1.0 2.0
   33    40    43    44   0.15000  1.0 3.0
   33    40    43    47   0.62750  1.0 1.0
   33    40    43    47  -0.30950 -1.0 2.0
   33    40    43    47   0.27300  1.0 3.0
   33    40    43    48   0.56750  1.0 1.0
   33    40    43    48  -0.07550 -1.0 2.0
   33    40    43    48   0.20000  1.0 3.0
   37    33    40    71  -0.95700  1.0 1.0
   37    33    40    71  -0.18200 -1.0 2.0
   37    33    40    71   0.29450  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    43   0.56750  1.0 1.0
   37    33    40    43  -0.07550 -1.0 2.0
   37    33    40    43   0.20000  1.0 3.0
   37    33    58    54   0.56750  1.0 1.0
   37    33    58    54  -0.07550 -1.0 2.0
   37    33    58    54   0.20000  1.0 3.0
   37    33    58    59   0.15000  1.0 3.0
   37    33    58    60   0.15000  1.0 3.0
   37    42    45    46   3.62500 -1.0 2.0
   37    42    45    52   3.62500 -1.0 2.0
   37    42    68    64   3.62500 -1.0 2.0
   37    42   -68    71   3.62500 -1.0 2.0
   38    37    42    45   0.00000  1.0 1.0
   38    37    42    68   0.00000  1.0 1.0
   39    37    42    45   0.00000  1.0 1.0
   39    37    42    68   0.00000  1.0 1.0
   42    45    52    53   3.62500 -1.0 2.0
   42    45    52    56   3.62500 -1.0 2.0
   42    68    71    72   1.05000 -1.0 2.0
   42    68    71    40   2.26350  1.0 1.0
   42    68    71    40   0.76750 -1.0 2.0
   42    68    71    40   0.22500  1.0 3.0
   45    42    68    64   3.62500 -1.0 2.0
   45    42    68    71   3.62500 -1.0 2.0
   45    52    56    57   3.62500 -1.0 2.0
   45    52   -56    64   3.62500 -1.0 2.0
   46    45    52    53   3.62500 -1.0 2.0
   46    45    52    56   3.62500 -1.0 2.0
   52    56    64    68   3.62500 -1.0 2.0
   52    56    64    69   3.62500 -1.0 2.0
   53    52    56    57   3.62500 -1.0 2.0
   53    52    56    64   3.62500 -1.0 2.0
   56    64   -68    42   3.62500 -1.0 2.0
   56    64    68    71   3.62500 -1.0 2.0
   56    64    69    70   0.84100 -1.0 2.0
   57    56    64    68   3.62500 -1.0 2.0
   57    56    64    69   3.62500 -1.0 2.0
   64    68    71    72   1.05000 -1.0 2.0
   64    68    71    40   2.26350  1.0 1.0
   64    68    71    40   0.76750 -1.0 2.0
   64    68    71    40   0.22500  1.0 3.0
   68    42    45    46   3.62500 -1.0 2.0
   68    42   -45    52   3.62500 -1.0 2.0
   68    64    69    70   0.84100 -1.0 2.0
   68    71   -40    33   0.05850 -1.0 2.0
   68    71   -40    33   0.17250  1.0 3.0
   68    71    40    41   0.00000  1.0 1.0
   68    71    40    43   0.05850 -1.0 2.0
   68    71    40    43   0.17250  1.0 3.0
   71    40    43    44  -0.11250  1.0 3.0
   71    40    43    47  -0.09450  1.0 1.0
   71    40    43    47  -1.12950 -1.0 2.0
   71    40    43    47   0.54000  1.0 3.0
   71    40    43    48  -0.95700  1.0 1.0
   71    40    43    48  -0.18200 -1.0 2.0
   71    40    43    48   0.29450  1.0 3.0
   72    71    40    33   0.30150 -1.0 2.0
   72    71    40    41   0.00000  1.0 1.0
   72    71    40    43   0.30150 -1.0 2.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33   -37    42  -0.03700  1.0 1.0
   40    33   -37    42   0.37200 -1.0 2.0
   40    33   -37    42  -0.47300  1.0 3.0
   40    33    58    54   0.56750  1.0 1.0
   40    33    58    54  -0.07550 -1.0 2.0
   40    33    58    54   0.20000  1.0 3.0
   40    33    58    59   0.15000  1.0 3.0
   40    33    58    60   0.15000  1.0 3.0
   40    43   -47    54   0.06250  1.0 1.0
   40    43   -47    54  -0.01100 -1.0 2.0
   40    43   -47    54   0.28050  1.0 3.0
   40    43    48    49   0.15000  1.0 3.0
   40    43    48    50   0.15000  1.0 3.0
   40    43    48    51   0.15000  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    47   0.23400  1.0 3.0
   41    40    43    48   0.15000  1.0 3.0
   43    47    54    55   0.37050  1.0 3.0
   43    47    54    58   0.06250  1.0 1.0
   43    47    54    58  -0.01100 -1.0 2.0
   43    47    54    58   0.28050  1.0 3.0
   43    47    54    61   0.06250  1.0 1.0
   43    47    54    61  -0.01100 -1.0 2.0
   43    47    54    61   0.28050  1.0 3.0
   44    43    47    54   0.37050  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    51   0.15000  1.0 3.0
   47    43    48    49   0.23400  1.0 3.0
   47    43    48    50   0.23400  1.0 3.0
   47    43    48    51   0.23400  1.0 3.0
   47    54   -58    33   0.62750  1.0 1.0
   47    54   -58    33  -0.30950 -1.0 2.0
   47    54   -58    33   0.27300  1.0 3.0
   47    54    58    59   0.23400  1.0 3.0
   47    54    58    60   0.23400  1.0 3.0
   47    54    61    62   0.23400  1.0 3.0
   47    54    61    63   0.23400  1.0 3.0
   47    54    61    65  -3.35100  1.0 1.0
   47    54    61    65  -0.37050 -1.0 2.0
   47    54    61    65   0.22400  1.0 3.0
   54    61    65    66   0.41150 -1.0 2.0
   54    61    65    67   0.41150 -1.0 2.0
   55    54    58    33   0.15000  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    60   0.15000  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   55    54    61    65  -0.11250  1.0 3.0
   58    33    37    38   0.15000  1.0 3.0
   58    33    37    39   0.15000  1.0 3.0
   58    33    37    42  -0.03700  1.0 1.0
   58    33    37    42   0.37200 -1.0 2.0
   58    33    37    42  -0.47300  1.0 3.0
   58    33    40    71  -0.95700  1.0 1.0
   58    33    40    71  -0.18200 -1.0 2.0
   58    33    40    71   0.29450  1.0 3.0
   58    33    40    41   0.15000  1.0 3.0
   58    33   -40    43   0.56750  1.0 1.0
   58    33   -40    43  -0.07550 -1.0 2.0
   58    33   -40    43   0.20000  1.0 3.0
   58    54    61    62   0.15000  1.0 3.0
   58    54    61    63   0.15000  1.0 3.0
   58    54    61    65  -1.63150  1.0 1.0
   58    54    61    65  -0.43550 -1.0 2.0
   58    54    61    65   0.24500  1.0 3.0
   61    54    58    33   0.56750  1.0 1.0
   61    54    58    33  -0.07550 -1.0 2.0
   61    54    58    33   0.20000  1.0 3.0
   61    54    58    59   0.15000  1.0 3.0
   61    54    58    60   0.15000  1.0 3.0
   62    61    65    66   0.00000  1.0 1.0
   62    61    65    67   0.00000  1.0 1.0
   63    61    65    66   0.00000  1.0 1.0
   63    61    65    67   0.00000  1.0 1.0
   48    43    47    54   0.06250  1.0 1.0
   48    43    47    54  -0.01100 -1.0 2.0
   48    43    47    54   0.28050  1.0 3.0
   69    64    68    42   3.62500 -1.0 2.0
   69    64    68    71   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   45    68    42    37   4.00000 -1.0 2.0
   52    46    45    42   1.10000 -1.0 2.0
   56    53    52    45   1.10000 -1.0 2.0
   64    57    56    52   1.10000 -1.0 2.0
   68    69    64    56   4.00000 -1.0 2.0
   64    71    68    42   4.00000 -1.0 2.0
   68    40    71    72  10.50000 -1.0 2.0
   66    61    65    67  10.50000 -1.0 2.0
END
