* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    133    218     392
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02089   106.62806   -15.87797
    3     1 S   H    _H1_     3     1.02130    56.98795    85.99929
    4     1 S   H    _H2_     4     1.02160    55.14443  -117.37102
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03433
    7     5 S   CO3  _C1_     7     1.53829   109.33942   -68.17175
    8     7 S   O2Z  _O11     8     1.25154   118.46701   -27.32737
    9     7 S   O2Z  _O12     9     1.24898   117.24946   152.26555
   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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04808   118.78025     8.54305
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29774   -11.15207
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10104
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52763  -172.12613
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27908
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C11    36     1.83880    97.61858   161.82887
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   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   _C8_    37     1.50896   110.03806   -59.99535
   38    33 S   CO4  _C12    66     1.52199   108.24589   172.26325
   39    38 S   O    _O34    67     1.22596   124.72432    97.05790
   40    37 S   CA   _C7_    38     1.40679   110.70128   104.98804
   41    40 S   CA   _C6_    39     1.38808   121.02218  -177.08738
   42    41 S   HA   _H7_    40     1.08607   120.82495   179.02221
   43    40 S   CT   _C21    51     1.50897   111.28587     1.45010
   44    43 S   HC   _H3_    52     1.09549   109.81235  -108.08391
   45    41 S   CA   _C5_    41     1.39532   118.58578    -0.65611
   46    33 S   CM   _C20    53     1.52604   109.60955    52.52319
   47    43 S   NP   _N4_    70     1.49584   111.08707   133.42294
   48    47 S   H    _H13    71     1.02185   110.29805   100.23376
   49    47 S   H    _H14    72     1.02182   110.24952   -19.72313
   50    47 S   H    _H15    73     1.02140   110.35441  -139.69698
   51    45 S   CA   _C10    42     1.40093   120.59908     0.63211
   52    51 S   HA   _H8_    43     1.08844   119.74986   178.99167
   53    45 S   CT   _C4_    47     1.49212   119.73079  -179.85873
   54    53 S   HC   _H4_    48     1.09624   110.35543    89.98827
   55    53 S   HC   _H5_    49     1.09722   111.24913  -149.47336
   56    53 S   HC   _H6_    50     1.09815   111.25419   -30.52410
   57    46 S   CM   _C19    54     1.34503   123.09076    89.92262
   58    37 S   CA   _C9_    44     1.38936   128.90855   -71.79192
   59    57 S   CA   _C18    55     1.47725   119.55961     1.21933
   60    57 S   OH   _O35    68     1.37559   124.05412  -179.07931
   61    60 S   HO   _H16    69     0.96431   110.08219     0.29007
   62    58 S   OH   _O33    45     1.35869   122.38085     0.25944
   63    62 S   HO   _H9_    46     0.97121   110.44041   176.91720
   64    59 S   CA   _C13    56     1.40772   119.45229    17.79352
   65    64 S   CA   _C14    57     1.39833   121.38015   176.28569
   66    65 S   HA   _H10    58     1.08649   121.36486   179.87180
   67    65 S   CA   _C15    59     1.39231   119.57661     1.03230
   68    67 S   HA   _H11    60     1.08633   120.02624   179.49603
   69    67 S   CA   _C16    61     1.39298   119.96491     0.28804
   70    69 S   HA   _H12    62     1.08662   119.37280   179.23792
   71    59 S   CA   _C17    63     1.40310   122.56397  -164.20720
   72    71 S   OH   _O36    64     1.36468   122.36800     3.79302
   73    72 S   HO   _H17    65     0.96908   110.04441   179.51503
  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  10   5   4   3
  17   2   1   1  17  12   4  15  13   4  11   6   8  11   4   2
   1   1   8   3   4   2   1   1   8   2  11   3   1   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    58    43    46    57    64    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    51    58    62    43    44    46    57    59    64    65    38    39    60    47  
   35    36  
   36  
    0  
   40    41    42    45    51    52    58    62    63    43    44    46    57    64    38    39    47  
   39    40    43    46    57    58    59    64    65    66    67    71  
   46    59    64    65  
   41    42    45    51    58    62    53    43    44    46    57    47    48    49    50  
   42    45    51    52    58    53    54    55    56    43    44    46    47  
   45    51    53    43  
   44    46    57    59    60    47    48    49    50    45    58  
   46    57    47    48    49    50  
   51    52    58    62    53    54    55    56  
   57    59    64    71    60    61    47    48    49    50    58  
   48    49    50    57  
   49    50  
   50  
    0  
   52    58    62    63    53    54    55    56  
   58    62    53  
   54    55    56    58  
   55    56  
   56  
    0  
   59    64    65    69    71    72    60    61  
   62    63  
   64    65    66    67    69    70    71    72    73    60    61  
   61    64    71  
    0  
   63  
    0  
   65    66    67    68    69    71    72  
   66    67    68    69    70    71  
   67    68    69  
   68    69    70    71    72  
   69    70    71  
   70    71    72    73  
   71    72  
   72    73  
   73  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   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   0.365000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   48   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   49   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   50   0.5000   0.0300   0.330000   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   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   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  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   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   317.000  1.510
   33    38   317.000  1.522
   37    40   469.000  1.400
   37    58   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    58   469.000  1.400
   58    62   450.000  1.364
   62    63   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   317.000  1.510
   43    47   367.000  1.471
   46    57   549.000  1.340
   57    59   320.000  1.460
   57    60   510.000  1.338
   59    64   469.000  1.400
   59    71   469.000  1.400
   64    65   469.000  1.400
   64    38   310.000  1.470
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   450.000  1.364
   72    73   553.000  0.945
   38    39   570.000  1.229
   60    61   553.000  0.945
   47    48   434.000  1.010
   47    49   434.000  1.010
   47    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  112.20000
   29    33    38    75.00000  110.18000
   33    37    40    70.00000  120.00000
   33    37    58    70.00000  120.00000
   33    46    43    65.00000  117.92700
   33    46    57    70.00000  124.00000
   33    38    64    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    58    51    63.00000  120.00000
   37    58    62    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  112.99600
   40    43    47    75.00000  110.83300
   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    58    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    58    62    70.00000  120.00000
   58    37    40    63.00000  120.00000
   58    51    52    35.00000  120.00000
   58    62    63    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    57    70.00000  124.00000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    50    35.00000  109.50000
   46    33    37    70.00000  112.99600
   46    43    44    35.00000  109.50000
   46    57    59    60.00000  123.20500
   46    57    60    80.00000  121.38400
   57    59    64    60.00000  120.93500
   57    59    71    60.00000  120.93500
   57    60    61    70.00000  107.45700
   59    64    65    63.00000  120.00000
   59    64    38    60.00000  119.52600
   59    71    69    63.00000  120.00000
   59    71    72    70.00000  120.00000
   64    65    66    35.00000  120.00000
   64    65    67    63.00000  120.00000
   64    38    39    75.00000  123.78400
   65    67    68    35.00000  120.00000
   65    67    69    63.00000  120.00000
   67    65    66    35.00000  120.00000
   67    69    70    35.00000  120.00000
   67    69    71    63.00000  120.00000
   69    67    68    35.00000  120.00000
   69    71    72    70.00000  120.00000
   71    59    64    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    72    73    35.00000  113.00000
   38    33    37    70.00000  110.93000
   38    33    46    70.00000  109.06800
   38    64    65    60.00000  119.52600
   60    57    59    85.00000  114.86500
   47    43    44    35.00000  109.50000
   47    43    46    75.00000  110.06800
   49    47    48    35.00000  109.50000
   50    47    48    35.00000  109.50000
   50    47    49    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.23050  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  -0.62250  1.0 1.0
   24    29    33    46  -0.38450 -1.0 2.0
   24    29    33    46   0.81900  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    58  -0.16000  1.0 1.0
   29    33    37    58  -0.03200 -1.0 2.0
   29    33    37    58   0.04500  1.0 3.0
   29    33    46    43   0.30250  1.0 1.0
   29    33    46    43  -0.14950 -1.0 2.0
   29    33    46    43   0.36900  1.0 3.0
   29    33    46    57   0.42700  1.0 1.0
   29    33    46    57  -0.70350 -1.0 2.0
   29    33    46    57  -0.43150  1.0 3.0
   29    33    38    64   0.65300  1.0 1.0
   29    33    38    64  -0.03850 -1.0 2.0
   29    33    38    64   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    58    51   3.62500 -1.0 2.0
   33    37    58    62   3.62500 -1.0 2.0
   33    46    57    59   7.00000 -1.0 2.0
   33    46    57    60   7.00000 -1.0 2.0
   37    33   -46    43   0.09700  1.0 1.0
   37    33   -46    43   0.15600 -1.0 2.0
   37    33   -46    43  -0.50800  1.0 3.0
   37    33    46    57   1.44450  1.0 1.0
   37    33    46    57   0.06600 -1.0 2.0
   37    33    46    57   0.29250  1.0 3.0
   37    33    38    64   0.65300  1.0 1.0
   37    33    38    64  -0.03850 -1.0 2.0
   37    33    38    64   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   0.18050 -1.0 2.0
   37    40    43    47  -0.46400 -1.0 2.0
   37    58    62    63   0.84100 -1.0 2.0
   40    37    58    51   3.62500 -1.0 2.0
   40    37    58    62   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   0.09700  1.0 1.0
   40    43   -46    33   0.15600 -1.0 2.0
   40    43   -46    33  -0.50800  1.0 3.0
   40    43    46    57   1.44450  1.0 1.0
   40    43    46    57   0.06600 -1.0 2.0
   40    43    46    57   0.29250  1.0 3.0
   40    43    47    48   0.17350  1.0 3.0
   40    43    47    49   0.17350  1.0 3.0
   40    43    47    50   0.17350  1.0 3.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    46   0.18050 -1.0 2.0
   41    40    43    47  -0.46400 -1.0 2.0
   41    45    51    52   3.62500 -1.0 2.0
   41    45    51    58   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   -58    37   3.62500 -1.0 2.0
   45    51    58    62   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    58    62    63   0.84100 -1.0 2.0
   52    51    58    37   3.62500 -1.0 2.0
   52    51    58    62   3.62500 -1.0 2.0
   58    37   -40    41   3.62500 -1.0 2.0
   58    37    40    43   3.62500 -1.0 2.0
   53    45    51    52   3.62500 -1.0 2.0
   53    45    51    58   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    59   7.00000 -1.0 2.0
   43    46    57    60   7.00000 -1.0 2.0
   44    43    46    33   0.34800  1.0 3.0
   44    43    46    57   0.00000  1.0 1.0
   44    43    47    48   0.13050  1.0 3.0
   44    43    47    49   0.13050  1.0 3.0
   44    43    47    50   0.13050  1.0 3.0
   46    33   -37    40   0.18050 -1.0 2.0
   46    33    37    58   0.18050 -1.0 2.0
   46    33    38    64   0.65300  1.0 1.0
   46    33    38    64  -0.03850 -1.0 2.0
   46    33    38    64   0.33900  1.0 3.0
   46    33    38    39   0.30150 -1.0 2.0
   46    43    47    48   0.17350  1.0 3.0
   46    43    47    49   0.17350  1.0 3.0
   46    43    47    50   0.17350  1.0 3.0
   46    57   -59    64   0.15800  1.0 1.0
   46    57   -59    64   1.85350 -1.0 2.0
   46    57   -59    64  -0.48700  1.0 3.0
   46    57    59    71   0.15800  1.0 1.0
   46    57    59    71   1.85350 -1.0 2.0
   46    57    59    71  -0.48700  1.0 3.0
   46    57    60    61  -0.66100  1.0 1.0
   46    57    60    61   1.20850 -1.0 2.0
   46    57    60    61  -0.36000  1.0 3.0
   57    59    64    65   3.62500 -1.0 2.0
   57    59    64    38   3.62500 -1.0 2.0
   57    59    71    69   3.62500 -1.0 2.0
   57    59    71    72   3.62500 -1.0 2.0
   59    57    60    61   2.00000 -1.0 2.0
   59    64    65    66   3.62500 -1.0 2.0
   59    64    65    67   3.62500 -1.0 2.0
   59    64   -38    33   2.26350  1.0 1.0
   59    64   -38    33   0.76750 -1.0 2.0
   59    64   -38    33   0.22500  1.0 3.0
   59    64    38    39   1.05000 -1.0 2.0
   59    71    72    73   0.84100 -1.0 2.0
   64    59    71    69   3.62500 -1.0 2.0
   64    59    71    72   3.62500 -1.0 2.0
   64    65    67    68   3.62500 -1.0 2.0
   64    65   -67    69   3.62500 -1.0 2.0
   65    64    38    33   2.26350  1.0 1.0
   65    64    38    33   0.76750 -1.0 2.0
   65    64    38    33   0.22500  1.0 3.0
   65    64    38    39   1.05000 -1.0 2.0
   65    67    69    70   3.62500 -1.0 2.0
   65    67    69    71   3.62500 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   66    65    67    69   3.62500 -1.0 2.0
   67    69   -71    59   3.62500 -1.0 2.0
   67    69    71    72   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    71   3.62500 -1.0 2.0
   69    71    72    73   0.84100 -1.0 2.0
   70    69    71    59   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   71    59   -64    65   3.62500 -1.0 2.0
   71    59    64    38   3.62500 -1.0 2.0
   38    33    37    40   0.04300 -1.0 2.0
   38    33    37    58   0.04300 -1.0 2.0
   38    33    46    43   0.17250  1.0 1.0
   38    33    46    43  -0.04100 -1.0 2.0
   38    33    46    43  -0.33850  1.0 3.0
   38    33   -46    57  -0.51250  1.0 1.0
   38    33   -46    57  -0.88800 -1.0 2.0
   38    33   -46    57   0.08850  1.0 3.0
   38    64    65    66   3.62500 -1.0 2.0
   38    64    65    67   3.62500 -1.0 2.0
   60    57    59    64  -0.01750  1.0 1.0
   60    57    59    64  -0.32000 -1.0 2.0
   60    57    59    64   0.00600  1.0 3.0
   60    57    59    71  -0.01750  1.0 1.0
   60    57    59    71  -0.32000 -1.0 2.0
   60    57    59    71   0.00600  1.0 3.0
   47    43    46    33   0.52100  1.0 1.0
   47    43    46    33  -0.20350 -1.0 2.0
   47    43    46    33   0.29750  1.0 3.0
   47    43    46    57   0.80850  1.0 1.0
   47    43    46    57  -0.47300 -1.0 2.0
   47    43    46    57  -0.52300  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   40    58    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
   58    52    51    45   1.10000 -1.0 2.0
   51    62    58    37   4.00000 -1.0 2.0
   33    43    46    57   1.10000 -1.0 2.0
   59    60    57    46   1.10000 -1.0 2.0
   64    71    59    57   4.00000 -1.0 2.0
   65    38    64    59   4.00000 -1.0 2.0
   67    66    65    64   1.10000 -1.0 2.0
   69    68    67    65   1.10000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   69    72    71    59   4.00000 -1.0 2.0
   33    64    38    39  10.50000 -1.0 2.0
END
