* LIGAND DATABASE FILE (OPLS2005)
*
001      72    75    132    220     393
    1     0 S   NP   _N1_     1    28.72806    96.64503   -22.11514
    2     1 S   H    _HN1     2     1.02779    94.23018   -74.96668
    3     1 S   H    _H1_     3     1.02954    74.01858    32.95955
    4     1 S   H    _H2_     4     1.02830    42.36733   172.92856
    5     1 S   CT   _CA1     5     1.50140   148.86257   136.04930
    6     5 S   HC   _HA1     6     1.09573   105.16315    84.76146
    7     5 S   CO3  _C1_     7     1.53770   112.50892   -35.33899
    8     7 S   O2Z  _O11     8     1.26367   114.98809   -39.47161
    9     7 S   O2Z  _O12     9     1.26245   115.00677   139.65813
   10     5 S   CT   _CB1    10     1.53103   107.40444  -157.27116
   11    10 S   HC   HB11    11     1.09822   109.29432   -49.45870
   12    10 S   HC   HB12    12     1.09816   110.46055    67.16401
   13    10 S   CT   _CG1    13     1.52951   112.63935  -170.50286
   14    13 S   HC   HG11    14     1.09503   110.46156   -66.39222
   15    13 S   HC   HG12    15     1.09671   109.89604    52.76022
   16    13 S   C    _CD1    16     1.51807   112.45330   173.06854
   17    16 S   O    _OE1    17     1.22708   123.34524     1.65965
   18    16 S   N    _N2_    18     1.38594   111.52649  -178.12195
   19    18 S   H    _HN2    19     1.01603   118.89968     0.41871
   20    18 S   CT1  _CA2    20     1.46307   123.57820   177.61936
   21    20 S   HC   _HA2    21     1.09735   109.44807    -7.57541
   22    20 S   C    _C2_    22     1.53457   108.23707  -122.98181
   23    22 S   O    _O2_    23     1.23026   122.44401  -147.99132
   24    20 S   CT   _CB2    32     1.53343   111.21681   114.79529
   25    24 S   HC   HB21    33     1.09343   109.06061    53.20800
   26    24 S   HC   HB22    34     1.09439   110.47926   172.12446
   27    22 S   N    _N3_    24     1.38388   113.44900    39.54726
   28    27 S   H    _HN3    25     1.01631   119.48053    -3.58354
   29    24 S   S    _SG2    35     1.82676   110.91141   -68.91108
   30    27 S   CT   _CA3    26     1.45278   123.16841   177.01902
   31    30 S   HC   HA31    27     1.09551   107.53566   -63.76579
   32    30 S   HC   HA32    28     1.09557   107.94381    52.65138
   33    29 S   CT   _C20    36     1.85690   101.92139   153.76258
   34    30 S   CO3  _C3_    29     1.52942   114.10811   174.63013
   35    34 S   O2Z  _O31    30     1.26371   116.05846    -0.61612
   36    34 S   O2Z  _O32    31     1.26429   114.41420   179.43283
   37    33 S   CA   _C12    37     1.51446   111.26259    73.89832
   38    33 S   CO4  _C16    68     1.51548   109.31709   -61.61681
   39    38 S   O    _O20    69     1.22497   124.69483   110.59647
   40    37 S   CA   _C11    38     1.41479   109.92397    95.18178
   41    40 S   CA   _C7_    39     1.38958   121.82355  -177.89950
   42    41 S   HA   _H28    40     1.08597   120.30972  -179.51827
   43    40 S   CT   _C18    51     1.51076   111.95348     2.46355
   44    43 S   HC   _H30    52     1.09594   111.10151   135.45126
   45    41 S   CA   _C13    41     1.39911   118.88189     0.32445
   46    33 S   CT   _C19    53     1.55425   113.28926  -176.78028
   47    46 S   HC   _H31    54     1.10788   108.63484   166.70597
   48    43 S   NT   _N19    70     1.45491   111.84442  -100.98824
   49    48 S   H    _H35    71     1.01886   109.76387   -70.22086
   50    48 S   H    _H36    72     1.01989   109.46262   173.31845
   51    45 S   CA   _C8_    42     1.40751   119.60476    -0.92894
   52    51 S   HA   _H29    43     1.08801   119.21277  -179.17457
   53    45 S   CT   _C21    47     1.50015   120.24154  -178.35872
   54    53 S   HC   _H32    48     1.09431   109.97883    90.27802
   55    53 S   HC   _H33    49     1.09508   110.86945  -149.20336
   56    53 S   HC   _H34    50     1.09511   110.95815   -30.19339
   57    46 S   CO4  _C17    55     1.51258   111.74331    53.49988
   58    57 S   O    _O21    56     1.22463   123.34032  -139.19615
   59    37 S   CA   _C15    44     1.38607   131.02635   -82.33979
   60    57 S   CA   _C10    57     1.49382   114.95715    44.83038
   61    59 S   OH   _O23    45     1.36258   120.45432    -1.88596
   62    61 S   HO   _H38    46     0.97204   109.07102  -179.54716
   63    60 S   CA   _C9_    58     1.41058   119.38383    -8.44004
   64    63 S   CA   _C5_    59     1.39917   120.31116   177.24295
   65    64 S   HA   _H26    60     1.08691   121.18455   179.65679
   66    64 S   CA   _C4_    61     1.39390   119.82557     0.68214
   67    66 S   HA   _H25    62     1.08680   120.01179   179.32305
   68    66 S   CA   _C6_    63     1.39430   120.20186     0.08156
   69    68 S   HA   _H27    64     1.08728   119.47985   179.52194
   70    60 S   CA   _C14    65     1.40008   121.49879   169.84317
   71    70 S   OH   _O22    66     1.36805   123.43430     1.98031
   72    71 S   HO   _H37    67     0.97371   108.96902     1.89837
  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
  18   2   1   1  18  13   4  15  13   4  11   6   8  10   4   3
   1   1   8   3   4   2   1   1   7   3   2   9   1   1   7   6
   3   5   3   4   2   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    46    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    59    43    46    47    57    63    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    51    59    61    43    44    46    47    57    58    60    63    64    38    39    48  
   35    36  
   36  
    0  
   40    41    42    45    51    52    59    61    62    43    44    46    47    57    63    38    39    48  
   39    40    43    46    47    57    59    60    63    64    65    66    70  
   46    60    63    64  
   41    42    45    51    59    61    53    43    44    46    47    57    48    49    50  
   42    45    51    52    59    53    54    55    56    43    44    46    48  
   45    51    53    43  
   44    46    47    57    58    60    48    49    50    45    59  
   46    47    57    48    49    50  
   51    52    59    61    53    54    55    56  
   47    57    58    60    63    70    48    49    50    59  
   57    58    60    48  
   49    50    57  
   50  
    0  
   52    59    61    62    53    54    55    56  
   59    61    53  
   54    55    56    59  
   55    56  
   56  
    0  
   58    60    63    64    68    70    71  
   60    63    70  
   61    62  
   63    64    65    66    68    69    70    71    72  
   62  
    0  
   64    65    66    67    68    70    71  
   65    66    67    68    69    70  
   66    67    68  
   67    68    69    70    71  
   68    69    70  
   69    70    71    72  
   70    71  
   71    72  
   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   0.282500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5000   0.0660   0.235000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   49   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   50   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   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    46   268.000  1.529
   33    38   317.000  1.522
   37    40   469.000  1.400
   37    59   469.000  1.400
   40    41   469.000  1.400
   40    43   317.000  1.510
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    51   469.000  1.400
   45    53   317.000  1.510
   51    52   367.000  1.080
   51    59   469.000  1.400
   59    61   450.000  1.364
   61    62   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   43    44   340.000  1.090
   43    46   268.000  1.529
   43    48   382.000  1.448
   46    47   340.000  1.090
   46    57   317.000  1.522
   57    58   570.000  1.229
   57    60   310.000  1.470
   60    63   469.000  1.400
   60    70   469.000  1.400
   63    64   469.000  1.400
   63    38   310.000  1.470
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   450.000  1.364
   71    72   553.000  0.945
   38    39   570.000  1.229
   48    49   434.000  1.010
   48    50   434.000  1.010
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    80.00000  109.48900
   29    33    46    75.00000  111.63000
   29    33    38    75.00000  110.18000
   33    37    40    70.00000  120.00000
   33    37    59    70.00000  120.00000
   33    46    43    58.35000  112.70000
   33    46    47    37.50000  110.70000
   33    46    57    63.00000  111.10000
   33    38    63    65.00000  115.47100
   33    38    39    80.00000  120.40000
   37    40    41    63.00000  120.00000
   37    40    43    70.00000  120.00000
   37    59    51    63.00000  120.00000
   37    59    61    70.00000  120.00000
   40    41    42    35.00000  120.00000
   40    41    45    63.00000  120.00000
   40    43    44    35.00000  109.50000
   40    43    46    70.00000  112.17500
   40    43    48    75.00000  112.33000
   41    45    51    63.00000  120.00000
   41    45    53    70.00000  120.00000
   45    41    42    35.00000  120.00000
   45    51    52    35.00000  120.00000
   45    51    59    63.00000  120.00000
   45    53    54    35.00000  109.50000
   45    53    55    35.00000  109.50000
   45    53    56    35.00000  109.50000
   51    59    61    70.00000  120.00000
   59    37    40    63.00000  120.00000
   59    51    52    35.00000  120.00000
   59    61    62    35.00000  113.00000
   53    45    51    70.00000  120.00000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   43    40    41    70.00000  120.00000
   43    46    47    37.50000  110.70000
   43    46    57    63.00000  111.10000
   43    48    49    35.00000  109.50000
   43    48    50    35.00000  109.50000
   46    33    37    70.00000  112.17500
   46    43    44    37.50000  110.70000
   46    57    58    80.00000  120.40000
   46    57    60    65.00000  115.47100
   57    46    47    35.00000  109.50000
   57    60    63    60.00000  119.52600
   57    60    70    60.00000  119.52600
   60    57    58    75.00000  123.78400
   60    63    64    63.00000  120.00000
   60    63    38    60.00000  119.52600
   60    70    68    63.00000  120.00000
   60    70    71    70.00000  120.00000
   63    64    65    35.00000  120.00000
   63    64    66    63.00000  120.00000
   63    38    39    75.00000  123.78400
   64    66    67    35.00000  120.00000
   64    66    68    63.00000  120.00000
   66    64    65    35.00000  120.00000
   66    68    69    35.00000  120.00000
   66    68    70    63.00000  120.00000
   68    66    67    35.00000  120.00000
   68    70    71    70.00000  120.00000
   70    60    63    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    71    72    35.00000  113.00000
   38    33    37    70.00000  110.93000
   38    33    46    63.00000  111.10000
   38    63    64    60.00000  119.52600
   48    43    44    35.00000  109.50000
   48    43    46    56.20000  109.47000
   50    48    49    43.60000  106.40000
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  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40  -0.16000  1.0 1.0
   29    33    37    40  -0.03200 -1.0 2.0
   29    33    37    40   0.04500  1.0 3.0
   29    33    37    59  -0.16000  1.0 1.0
   29    33    37    59  -0.03200 -1.0 2.0
   29    33    37    59   0.04500  1.0 3.0
   29    33    46    43   0.44750  1.0 1.0
   29    33    46    43  -0.17800 -1.0 2.0
   29    33    46    43   0.20200  1.0 3.0
   29    33    46    47   0.15000  1.0 3.0
   29    33    46    57   0.56750  1.0 1.0
   29    33    46    57  -0.07550 -1.0 2.0
   29    33    46    57   0.20000  1.0 3.0
   29    33    38    63   0.65300  1.0 1.0
   29    33    38    63  -0.03850 -1.0 2.0
   29    33    38    63   0.33900  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   33    37    40    41   3.62500 -1.0 2.0
   33    37   -40    43   3.62500 -1.0 2.0
   33    37    59    51   3.62500 -1.0 2.0
   33    37    59    61   3.62500 -1.0 2.0
   33    46    57    58   0.30150 -1.0 2.0
   33    46    57    60   0.05850 -1.0 2.0
   33    46    57    60   0.17250  1.0 3.0
   37    33   -46    43  -0.03700  1.0 1.0
   37    33   -46    43   0.37200 -1.0 2.0
   37    33   -46    43  -0.47300  1.0 3.0
   37    33    46    47   0.43200  1.0 3.0
   37    33    46    57   0.56750  1.0 1.0
   37    33    46    57  -0.07550 -1.0 2.0
   37    33    46    57   0.20000  1.0 3.0
   37    33    38    63   0.65300  1.0 1.0
   37    33    38    63  -0.03850 -1.0 2.0
   37    33    38    63   0.33900  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    40    41    42   3.62500 -1.0 2.0
   37    40    41    45   3.62500 -1.0 2.0
   37    40    43    44   0.00000  1.0 1.0
   37    40   -43    46   0.04150 -1.0 2.0
   37    40    43    48   0.18550 -1.0 2.0
   37    40    43    48   0.14000  1.0 3.0
   37    59    61    62   0.84100 -1.0 2.0
   40    37    59    51   3.62500 -1.0 2.0
   40    37    59    61   3.62500 -1.0 2.0
   40    41   -45    51   3.62500 -1.0 2.0
   40    41    45    53   3.62500 -1.0 2.0
   40    43   -46    33  -0.03700  1.0 1.0
   40    43   -46    33   0.37200 -1.0 2.0
   40    43   -46    33  -0.47300  1.0 3.0
   40    43    46    47   0.43200  1.0 3.0
   40    43    46    57   0.56750  1.0 1.0
   40    43    46    57  -0.07550 -1.0 2.0
   40    43    46    57   0.20000  1.0 3.0
   40    43    48    49   0.76500  1.0 1.0
   40    43    48    49   0.05700 -1.0 2.0
   40    43    48    49  -0.90900  1.0 3.0
   40    43    48    50   0.76500  1.0 1.0
   40    43    48    50   0.05700 -1.0 2.0
   40    43    48    50  -0.90900  1.0 3.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    46   0.04150 -1.0 2.0
   41    40    43    48   0.18550 -1.0 2.0
   41    40    43    48   0.14000  1.0 3.0
   41    45    51    52   3.62500 -1.0 2.0
   41    45    51    59   3.62500 -1.0 2.0
   41    45    53    54   0.00000  1.0 1.0
   41    45    53    55   0.00000  1.0 1.0
   41    45    53    56   0.00000  1.0 1.0
   42    41    45    51   3.62500 -1.0 2.0
   42    41    45    53   3.62500 -1.0 2.0
   45    51   -59    37   3.62500 -1.0 2.0
   45    51    59    61   3.62500 -1.0 2.0
   51    45    53    54   0.00000  1.0 1.0
   51    45    53    55   0.00000  1.0 1.0
   51    45    53    56   0.00000  1.0 1.0
   51    59    61    62   0.84100 -1.0 2.0
   52    51    59    37   3.62500 -1.0 2.0
   52    51    59    61   3.62500 -1.0 2.0
   59    37   -40    41   3.62500 -1.0 2.0
   59    37    40    43   3.62500 -1.0 2.0
   53    45    51    52   3.62500 -1.0 2.0
   53    45    51    59   3.62500 -1.0 2.0
   43    40    41    42   3.62500 -1.0 2.0
   43    40    41    45   3.62500 -1.0 2.0
   43    46    57    58   0.30150 -1.0 2.0
   43    46    57    60   0.05850 -1.0 2.0
   43    46    57    60   0.17250  1.0 3.0
   44    43    46    33   0.15000  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    57  -0.11250  1.0 3.0
   44    43    48    49   0.20000  1.0 3.0
   44    43    48    50   0.20000  1.0 3.0
   46    33   -37    40   0.04150 -1.0 2.0
   46    33    37    59   0.04150 -1.0 2.0
   46    33    38    63   0.05850 -1.0 2.0
   46    33    38    63   0.17250  1.0 3.0
   46    33    38    39   0.30150 -1.0 2.0
   46    43    48    49  -0.05950  1.0 1.0
   46    43    48    49   0.08850 -1.0 2.0
   46    43    48    49   0.11750  1.0 3.0
   46    43    48    50  -0.05950  1.0 1.0
   46    43    48    50   0.08850 -1.0 2.0
   46    43    48    50   0.11750  1.0 3.0
   46    57   -60    63   2.26350  1.0 1.0
   46    57   -60    63   0.76750 -1.0 2.0
   46    57   -60    63   0.22500  1.0 3.0
   46    57    60    70   2.26350  1.0 1.0
   46    57    60    70   0.76750 -1.0 2.0
   46    57    60    70   0.22500  1.0 3.0
   47    46    57    58   0.00000  1.0 1.0
   47    46    57    60   0.00000  1.0 1.0
   57    60    63    64   3.62500 -1.0 2.0
   57    60    63    38   3.62500 -1.0 2.0
   57    60    70    68   3.62500 -1.0 2.0
   57    60    70    71   3.62500 -1.0 2.0
   58    57    60    63   1.05000 -1.0 2.0
   58    57    60    70   1.05000 -1.0 2.0
   60    63    64    65   3.62500 -1.0 2.0
   60    63    64    66   3.62500 -1.0 2.0
   60    63   -38    33   2.26350  1.0 1.0
   60    63   -38    33   0.76750 -1.0 2.0
   60    63   -38    33   0.22500  1.0 3.0
   60    63    38    39   1.05000 -1.0 2.0
   60    70    71    72   0.84100 -1.0 2.0
   63    60    70    68   3.62500 -1.0 2.0
   63    60    70    71   3.62500 -1.0 2.0
   63    64    66    67   3.62500 -1.0 2.0
   63    64   -66    68   3.62500 -1.0 2.0
   64    63    38    33   2.26350  1.0 1.0
   64    63    38    33   0.76750 -1.0 2.0
   64    63    38    33   0.22500  1.0 3.0
   64    63    38    39   1.05000 -1.0 2.0
   64    66    68    69   3.62500 -1.0 2.0
   64    66    68    70   3.62500 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    68   3.62500 -1.0 2.0
   66    68   -70    60   3.62500 -1.0 2.0
   66    68    70    71   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    70   3.62500 -1.0 2.0
   68    70    71    72   0.84100 -1.0 2.0
   69    68    70    60   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   70    60   -63    64   3.62500 -1.0 2.0
   70    60    63    38   3.62500 -1.0 2.0
   38    33    37    40   0.04300 -1.0 2.0
   38    33    37    59   0.04300 -1.0 2.0
   38    33    46    43  -0.95700  1.0 1.0
   38    33    46    43  -0.18200 -1.0 2.0
   38    33    46    43   0.29450  1.0 3.0
   38    33    46    47  -0.11250  1.0 3.0
   38    33   -46    57   0.11950  1.0 1.0
   38    33   -46    57   0.20300 -1.0 2.0
   38    33   -46    57  -0.70800  1.0 3.0
   38    63    64    65   3.62500 -1.0 2.0
   38    63    64    66   3.62500 -1.0 2.0
   48    43    46    33   1.85550  1.0 1.0
   48    43    46    33  -0.84100 -1.0 2.0
   48    43    46    47   0.15000  1.0 3.0
   48    43    46    57  -3.56550  1.0 1.0
   48    43    46    57  -0.67500 -1.0 2.0
   48    43    46    57   1.11300  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   40    59    37    33   4.00000 -1.0 2.0
   41    43    40    37   4.00000 -1.0 2.0
   45    42    41    40   1.10000 -1.0 2.0
   51    53    45    41   4.00000 -1.0 2.0
   59    52    51    45   1.10000 -1.0 2.0
   51    61    59    37   4.00000 -1.0 2.0
   46    60    57    58  10.50000 -1.0 2.0
   63    70    60    57   4.00000 -1.0 2.0
   64    38    63    60   4.00000 -1.0 2.0
   66    65    64    63   1.10000 -1.0 2.0
   68    67    66    64   1.10000 -1.0 2.0
   70    69    68    66   1.10000 -1.0 2.0
   68    71    70    60   4.00000 -1.0 2.0
   33    63    38    39  10.50000 -1.0 2.0
END
