* LIGAND DATABASE FILE (OPLS2005)
*
001      80    83    141    231     416
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02085    75.45000   -89.89498
    3     1 S   H    _H1_     3     1.02125   101.45908    16.70034
    4     1 S   H    _H2_     4     1.02152    39.01156   122.36412
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98761
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04724   118.98282     8.58904
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08448   106.40438   -11.12151
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32504
   25    24 S   HC   HB21    33     1.08733   110.25787    59.12706
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   27    22 S   N    _N3_    24     1.34263   118.97449    10.45205
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06898
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22029
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10345
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31071
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CA   _C16    36     1.76488    99.65445   180.00000
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   37    33 S   CA   _C20    37     1.39868   119.14939   -90.01089
   38    37 S   Br   BR35    38     1.91152   122.45936    -1.41056
   39    37 S   CA   _C13    39     1.38902   118.87603   179.51503
   40    39 S   CA   _C10    40     1.38291   119.38877     0.98576
   41    40 S   CA   _C19    41     1.38398   123.13116    -0.98636
   42    41 S   Br   BR34    42     1.90862   120.46532  -179.57022
   43    40 S   CO4  _C22    45     1.44913   109.31908   177.72548
   44    43 S   O    _O21    46     1.21503   127.11206   179.69999
   45    33 S   CA   _C21    43     1.40289   120.18327    89.89588
   46    45 S   Br   BR36    44     1.92744   120.19706    -0.24708
   47    43 S   OS   _O26    47     1.36630   105.77881    -1.25803
   48    39 S   CT   _C23    48     1.50010   130.12526   179.46478
   49    48 S   CA   _C11    49     1.53348   111.42151   -59.90199
   50    48 S   CA   _C12    65     1.53298   117.29857    72.85009
   51    49 S   CA   _C4_    50     1.39473   120.00334   -75.29243
   52    51 S   HA   _H37    51     1.08648   120.47562     0.07133
   53    50 S   CA   _C5_    66     1.39476   119.99930   168.06929
   54    53 S   HA   _H38    67     1.08681   120.47987     0.09487
   55    51 S   CA   _C6_    52     1.39496   120.03012   180.00000
   56    55 S   HA   _H39    53     1.08619   119.64366   179.96044
   57    53 S   CA   _C7_    68     1.39458   119.99122   180.00000
   58    57 S   HA   _H40    69     1.08731   119.61975   179.96044
   59    55 S   CA   _C14    54     1.39511   119.96664     0.10279
   60    57 S   CA   _C15    70     1.39460   120.02908     0.05234
   61    59 S   CA   _C17    55     1.39405   120.03102    -0.11703
   62    59 S   OH   _O27    63     1.36232   118.95444   179.91377
   63    62 S   HO   _H43    64     0.97028   110.20971    -0.09691
   64    60 S   CA   _C18    71     1.39463   120.00947    -0.01978
   65    60 S   OH   _O28    79     1.36228   118.98442   179.87967
   66    65 S   HO   _H44    80     0.96972   110.22018    -0.02798
   67    49 S   CA   _C8_    56     1.39536   120.03143   104.78001
   68    67 S   HA   _H41    57     1.08723   119.78402    -0.11535
   69    61 S   SY   _S32    58     1.74946   120.86941   179.94405
   70    69 S   OY   _O22    59     1.45499   107.86540  -175.92773
   71    69 S   OY   _O23    60     1.45363   106.84537   -44.69149
   72    50 S   CA   _C9_    72     1.39542   120.00937   -11.91064
   73    72 S   HA   _H42    73     1.08732   119.78326     0.02798
   74    64 S   SY   _S33    74     1.74845   120.90686   179.93147
   75    74 S   OY   _O24    75     1.45427   107.90862  -175.98156
   76    74 S   OY   _O25    76     1.45414   106.83117   -44.73058
   77    69 S   OS   _O29    61     1.63376   105.08374    70.14182
   78    77 S   HO   _H45    62     0.98652   115.29807  -173.87570
   79    74 S   OS   _O30    77     1.63438   105.11276    70.05494
   80    79 S   HO   _H46    78     0.98607   115.26802  -173.79471
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   7   5   4   3
   9   2   1   1  11   4  14  10   7   3   6   2   1   1   7  14
  12  11   8   4   8   4   7   3   7   3   9   9   9   3   1   9
   3   1   5   1   4   3   2   5   1   4   3   2   1   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    45    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    45    46    48  
   35    36  
   36  
    0  
   38    39    40    41    45    46    43    47    48    49    50  
   39    40    45    48  
   40    41    42    45    43    44    47    48    49    51    67    50    53    72  
   41    42    45    46    43    44    47    48    49    50  
   42    45    46    43    44    47    48  
   45    46    43  
   44    47    48    49    50    45  
   47    48  
   46  
    0  
   48    49    51    67    50    53    72  
   49    51    52    55    61    67    68    50    53    54    57    64    72    73  
   51    52    55    56    59    61    67    68    69    50    53    72  
   53    54    57    58    60    64    72    73    74    51    67  
   52    55    56    59    61    67    68    62  
   55    56    59    67  
   54    57    58    60    64    72    73    65  
   57    58    60    72  
   56    59    61    67    69    62    63  
   59    61    62  
   58    60    64    72    74    65    66  
   60    64    65  
   61    67    68    69    70    71    77    62    63  
   64    72    73    74    75    76    79    65    66  
   67    68    69    70    71    77    78    62    63  
   63    67    69  
    0  
   72    73    74    75    76    79    80    65    66  
   66    72    74  
    0  
   68    69    70    71    77  
   69  
   70    71    77    78  
   71    77    78  
   77    78  
   73    74    75    76    79  
   74  
   75    76    79    80  
   76    79    80  
   79    80  
   78  
    0  
   80  
    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  -0.320000   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   3.5500   0.0700   0.152500   2.5000   1.7750   0.001000000  -0.843144165
   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   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.4700   0.4700  -0.200000   2.8000   2.5000   0.001000000  -0.686339560
   39   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.4700   0.4700  -0.200000   2.8000   2.5000   0.001000000  -0.686339560
   43   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.4700   0.4700  -0.200000   2.8000   2.5000   0.001000000  -0.686339560
   47   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5000   0.0660   0.375400   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700   0.007500   2.5000   1.7750   0.001000000  -0.843144165
   62   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0700   0.007500   2.5000   1.7750   0.001000000  -0.843144165
   65   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.2500   1.302800   2.0025   1.7750   0.025682759  -1.666211680
   70   2.9600   0.1700  -0.577000   1.6780   1.4800   0.001000000  -0.126889456
   71   2.9600   0.1700  -0.577000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.2500   1.302800   2.0025   1.7750   0.025682759  -1.666211680
   75   2.9600   0.1700  -0.577000   1.6780   1.4800   0.001000000  -0.126889456
   76   2.9600   0.1700  -0.577000   1.6780   1.4800   0.001000000  -0.126889456
   77   2.9000   0.1400  -0.588100   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.431800   0.9960   0.8600   0.030040813  -0.651083722
   79   2.9000   0.1400  -0.588100   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.431800   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   250.000  1.760
   33    37   469.000  1.400
   33    45   469.000  1.400
   37    38   300.000  1.903
   37    39   469.000  1.400
   39    40   469.000  1.400
   39    48   317.000  1.510
   40    41   469.000  1.400
   40    43   310.000  1.470
   41    42   300.000  1.903
   41    45   469.000  1.400
   45    46   300.000  1.903
   43    44   570.000  1.229
   43    47   214.000  1.327
   47    48   320.000  1.410
   48    49   317.000  1.510
   48    50   317.000  1.510
   49    51   469.000  1.400
   49    67   469.000  1.400
   51    52   367.000  1.080
   51    55   469.000  1.400
   55    56   367.000  1.080
   55    59   469.000  1.400
   59    61   469.000  1.400
   59    62   450.000  1.364
   61    67   469.000  1.400
   61    69   225.000  1.779
   67    68   367.000  1.080
   69    70   735.000  1.471
   69    71   735.000  1.471
   69    77   335.000  1.682
   77    78   553.000  0.945
   62    63   553.000  0.945
   50    53   469.000  1.400
   50    72   469.000  1.400
   53    54   367.000  1.080
   53    57   469.000  1.400
   57    58   367.000  1.080
   57    60   469.000  1.400
   60    64   469.000  1.400
   60    65   450.000  1.364
   64    72   469.000  1.400
   64    74   225.000  1.779
   72    73   367.000  1.080
   74    75   735.000  1.471
   74    76   735.000  1.471
   74    79   335.000  1.682
   79    80   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  104.20000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    85.00000  119.40000
   29    33    45    85.00000  119.40000
   33    37    38    75.00000  120.00000
   33    37    39    63.00000  120.00000
   33    45    41    63.00000  120.00000
   33    45    46    75.00000  120.00000
   37    39    40    63.00000  120.00000
   37    39    48    70.00000  120.00000
   39    37    38    75.00000  120.00000
   39    40    41    63.00000  120.00000
   39    40    43    60.00000  119.52600
   39    48    47    85.00000  111.85700
   39    48    49    70.00000  112.04700
   39    48    50    70.00000  112.04700
   40    41    42    75.00000  120.00000
   40    41    45    63.00000  120.00000
   40    43    44    75.00000  123.78400
   40    43    47    81.00000  111.40000
   41    45    46    75.00000  120.00000
   45    33    37    63.00000  120.00000
   45    41    42    75.00000  120.00000
   43    40    41    60.00000  119.52600
   43    47    48    83.00000  116.90000
   47    43    44    83.00000  123.40000
   47    48    49    85.00000  111.85700
   47    48    50    85.00000  111.85700
   48    39    40    70.00000  120.00000
   48    49    51    70.00000  120.00000
   48    49    67    70.00000  120.00000
   48    50    53    70.00000  120.00000
   48    50    72    70.00000  120.00000
   49    51    52    35.00000  120.00000
   49    51    55    63.00000  120.00000
   49    67    61    63.00000  120.00000
   49    67    68    35.00000  120.00000
   51    55    56    35.00000  120.00000
   51    55    59    63.00000  120.00000
   55    51    52    35.00000  120.00000
   55    59    61    63.00000  120.00000
   55    59    62    70.00000  120.00000
   59    55    56    35.00000  120.00000
   59    61    67    63.00000  120.00000
   59    61    69    65.00000  117.06700
   59    62    63    35.00000  113.00000
   61    67    68    35.00000  120.00000
   61    69    70   100.00000  107.67100
   61    69    71   100.00000  107.67100
   61    69    77   115.00000   98.04500
   67    49    51    63.00000  120.00000
   69    61    67    65.00000  117.06700
   69    77    78    65.00000  110.03400
   71    69    70   115.00000  120.17200
   77    69    70   135.00000  106.70400
   77    69    71   135.00000  106.70400
   62    59    61    70.00000  120.00000
   50    48    49    70.00000  112.04700
   50    53    54    35.00000  120.00000
   50    53    57    63.00000  120.00000
   50    72    64    63.00000  120.00000
   50    72    73    35.00000  120.00000
   53    57    58    35.00000  120.00000
   53    57    60    63.00000  120.00000
   57    53    54    35.00000  120.00000
   57    60    64    63.00000  120.00000
   57    60    65    70.00000  120.00000
   60    57    58    35.00000  120.00000
   60    64    72    63.00000  120.00000
   60    64    74    65.00000  117.06700
   60    65    66    35.00000  113.00000
   64    72    73    35.00000  120.00000
   64    74    75   100.00000  107.67100
   64    74    76   100.00000  107.67100
   64    74    79   115.00000   98.04500
   72    50    53    63.00000  120.00000
   74    64    72    65.00000  117.06700
   74    79    80    65.00000  110.03400
   76    74    75   115.00000  120.17200
   79    74    75   135.00000  106.70400
   79    74    76   135.00000  106.70400
   65    60    64    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  -0.35400  1.0 1.0
   20    24    29    33  -0.24450 -1.0 2.0
   20    24    29    33   0.44000  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   0.63250 -1.0 2.0
   24    29    33    45   0.63250 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   3.62500 -1.0 2.0
   29    33    37    39   3.62500 -1.0 2.0
   29    33    45    41   3.62500 -1.0 2.0
   29    33    45    46   3.62500 -1.0 2.0
   33    37    39    40   3.62500 -1.0 2.0
   33    37    39    48   3.62500 -1.0 2.0
   37    33    45    41   3.62500 -1.0 2.0
   37    33    45    46   3.62500 -1.0 2.0
   37    39   -40    41   3.62500 -1.0 2.0
   37    39    40    43   3.62500 -1.0 2.0
   37    39    48    47   0.64500  1.0 1.0
   37    39    48    47   0.14800 -1.0 2.0
   37    39    48    47   0.20650  1.0 3.0
   37    39    48    49   0.04300 -1.0 2.0
   37    39    48    50   0.04300 -1.0 2.0
   38    37    39    40   3.62500 -1.0 2.0
   38    37    39    48   3.62500 -1.0 2.0
   39    40    41    42   3.62500 -1.0 2.0
   39    40    41    45   3.62500 -1.0 2.0
   39    40    43    44   1.05000 -1.0 2.0
   39    40   -43    47   0.98750 -1.0 2.0
   39    48    49    51   0.04300 -1.0 2.0
   39    48    49    67   0.04300 -1.0 2.0
   39    48    50    53   0.04300 -1.0 2.0
   39    48    50    72   0.04300 -1.0 2.0
   40    39   -48    47   0.64500  1.0 1.0
   40    39   -48    47   0.14800 -1.0 2.0
   40    39   -48    47   0.20650  1.0 3.0
   40    39    48    49   0.04300 -1.0 2.0
   40    39    48    50   0.04300 -1.0 2.0
   40    41   -45    33   3.62500 -1.0 2.0
   40    41    45    46   3.62500 -1.0 2.0
   40    43   -47    48   0.59950  1.0 1.0
   40    43   -47    48   3.24850 -1.0 2.0
   41    40    43    44   1.05000 -1.0 2.0
   41    40    43    47   0.98750 -1.0 2.0
   42    41    45    33   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   45    33    37    38   3.62500 -1.0 2.0
   45    33   -37    39   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    47   -48    39  -0.43900 -1.0 2.0
   43    47   -48    39   0.14100  1.0 3.0
   43    47    48    49  -0.43900 -1.0 2.0
   43    47    48    49   0.14100  1.0 3.0
   43    47    48    50  -0.43900 -1.0 2.0
   43    47    48    50   0.14100  1.0 3.0
   44    43    47    48   3.00000 -1.0 2.0
   47    48    49    51   0.64500  1.0 1.0
   47    48    49    51   0.14800 -1.0 2.0
   47    48    49    51   0.20650  1.0 3.0
   47    48    49    67   0.64500  1.0 1.0
   47    48    49    67   0.14800 -1.0 2.0
   47    48    49    67   0.20650  1.0 3.0
   47    48    50    53   0.64500  1.0 1.0
   47    48    50    53   0.14800 -1.0 2.0
   47    48    50    53   0.20650  1.0 3.0
   47    48    50    72   0.64500  1.0 1.0
   47    48    50    72   0.14800 -1.0 2.0
   47    48    50    72   0.20650  1.0 3.0
   48    39    40    41   3.62500 -1.0 2.0
   48    39   -40    43   3.62500 -1.0 2.0
   48    49    51    52   3.62500 -1.0 2.0
   48    49    51    55   3.62500 -1.0 2.0
   48    49    67    61   3.62500 -1.0 2.0
   48    49    67    68   3.62500 -1.0 2.0
   48    50    53    54   3.62500 -1.0 2.0
   48    50    53    57   3.62500 -1.0 2.0
   48    50    72    64   3.62500 -1.0 2.0
   48    50    72    73   3.62500 -1.0 2.0
   49    48    50    53   0.04300 -1.0 2.0
   49    48    50    72   0.04300 -1.0 2.0
   49    51    55    56   3.62500 -1.0 2.0
   49    51    55    59   3.62500 -1.0 2.0
   51    49    67    61   3.62500 -1.0 2.0
   51    49    67    68   3.62500 -1.0 2.0
   51    55   -59    61   3.62500 -1.0 2.0
   51    55    59    62   3.62500 -1.0 2.0
   52    51    55    56   3.62500 -1.0 2.0
   52    51    55    59   3.62500 -1.0 2.0
   55    59    61    67   3.62500 -1.0 2.0
   55    59    61    69   3.62500 -1.0 2.0
   55    59    62    63   0.84100 -1.0 2.0
   56    55    59    61   3.62500 -1.0 2.0
   56    55    59    62   3.62500 -1.0 2.0
   59    61   -67    49   3.62500 -1.0 2.0
   59    61    67    68   3.62500 -1.0 2.0
   59    61    69    70   0.19500  1.0 1.0
   59    61    69    70   0.12000 -1.0 2.0
   59    61    69    71   0.19500  1.0 1.0
   59    61    69    71   0.12000 -1.0 2.0
   59    61    69    77   0.00000  1.0 1.0
   61    59    62    63   0.84100 -1.0 2.0
   61    69    77    78   0.00000  1.0 1.0
   67    49    51    52   3.62500 -1.0 2.0
   67    49   -51    55   3.62500 -1.0 2.0
   67    61    69    70   0.19500  1.0 1.0
   67    61    69    70   0.12000 -1.0 2.0
   67    61    69    71   0.19500  1.0 1.0
   67    61    69    71   0.12000 -1.0 2.0
   67    61    69    77   0.00000  1.0 1.0
   69    61    67    49   3.62500 -1.0 2.0
   69    61    67    68   3.62500 -1.0 2.0
   70    69    77    78   0.67600  1.0 1.0
   70    69    77    78   0.52900 -1.0 2.0
   70    69    77    78   0.12800  1.0 3.0
   71    69    77    78   0.67600  1.0 1.0
   71    69    77    78   0.52900 -1.0 2.0
   71    69    77    78   0.12800  1.0 3.0
   62    59    61    67   3.62500 -1.0 2.0
   62    59    61    69   3.62500 -1.0 2.0
   50    48    49    51   0.04300 -1.0 2.0
   50    48    49    67   0.04300 -1.0 2.0
   50    53    57    58   3.62500 -1.0 2.0
   50    53    57    60   3.62500 -1.0 2.0
   53    50    72    64   3.62500 -1.0 2.0
   53    50    72    73   3.62500 -1.0 2.0
   53    57   -60    64   3.62500 -1.0 2.0
   53    57    60    65   3.62500 -1.0 2.0
   54    53    57    58   3.62500 -1.0 2.0
   54    53    57    60   3.62500 -1.0 2.0
   57    60    64    72   3.62500 -1.0 2.0
   57    60    64    74   3.62500 -1.0 2.0
   57    60    65    66   0.84100 -1.0 2.0
   58    57    60    64   3.62500 -1.0 2.0
   58    57    60    65   3.62500 -1.0 2.0
   60    64   -72    50   3.62500 -1.0 2.0
   60    64    72    73   3.62500 -1.0 2.0
   60    64    74    75   0.19500  1.0 1.0
   60    64    74    75   0.12000 -1.0 2.0
   60    64    74    76   0.19500  1.0 1.0
   60    64    74    76   0.12000 -1.0 2.0
   60    64    74    79   0.00000  1.0 1.0
   64    60    65    66   0.84100 -1.0 2.0
   64    74    79    80   0.00000  1.0 1.0
   72    50    53    54   3.62500 -1.0 2.0
   72    50   -53    57   3.62500 -1.0 2.0
   72    64    74    75   0.19500  1.0 1.0
   72    64    74    75   0.12000 -1.0 2.0
   72    64    74    76   0.19500  1.0 1.0
   72    64    74    76   0.12000 -1.0 2.0
   72    64    74    79   0.00000  1.0 1.0
   74    64    72    50   3.62500 -1.0 2.0
   74    64    72    73   3.62500 -1.0 2.0
   75    74    79    80   0.67600  1.0 1.0
   75    74    79    80   0.52900 -1.0 2.0
   75    74    79    80   0.12800  1.0 3.0
   76    74    79    80   0.67600  1.0 1.0
   76    74    79    80   0.52900 -1.0 2.0
   76    74    79    80   0.12800  1.0 3.0
   65    60    64    72   3.62500 -1.0 2.0
   65    60    64    74   3.62500 -1.0 2.0
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
   37    45    33    29   4.00000 -1.0 2.0
   39    38    37    33   4.00000 -1.0 2.0
   40    48    39    37   4.00000 -1.0 2.0
   41    43    40    39   4.00000 -1.0 2.0
   45    42    41    40   4.00000 -1.0 2.0
   41    46    45    33   4.00000 -1.0 2.0
   40    47    43    44  10.50000 -1.0 2.0
   51    67    49    48   4.00000 -1.0 2.0
   55    52    51    49   1.10000 -1.0 2.0
   59    56    55    51   1.10000 -1.0 2.0
   61    62    59    55   4.00000 -1.0 2.0
   67    69    61    59   4.00000 -1.0 2.0
   61    68    67    49   1.10000 -1.0 2.0
   53    72    50    48   4.00000 -1.0 2.0
   57    54    53    50   1.10000 -1.0 2.0
   60    58    57    53   1.10000 -1.0 2.0
   64    65    60    57   4.00000 -1.0 2.0
   72    74    64    60   4.00000 -1.0 2.0
   64    73    72    50   1.10000 -1.0 2.0
END
