* LIGAND DATABASE FILE (OPLS2005)
*
001      72    75    127    213     378
    1     0 S   NP   _N1_     1    28.85677    99.26088   -24.45611
    2     1 S   H    _HN1     2     1.02948    62.82122   -15.84255
    3     1 S   H    _H1_     3     1.02828    44.34275   160.14974
    4     1 S   H    _H2_     4     1.02790   118.48451  -113.00616
    5     1 S   CT   _CA1     5     1.50123   128.31959    79.53440
    6     5 S   HC   _HA1     6     1.09573   105.17203   106.73885
    7     5 S   CO3  _C1_     7     1.53778   112.50094   -13.47536
    8     7 S   O2Z  _O11     8     1.26375   115.00213   -41.53804
    9     7 S   O2Z  _O12     9     1.26239   114.94734   137.56006
   10     5 S   CT   _CB1    10     1.53074   107.41801  -135.26746
   11    10 S   HC   HB11    11     1.09837   109.34528   -49.41922
   12    10 S   HC   HB12    12     1.09812   110.45582    67.18384
   13    10 S   CT   _CG1    13     1.53007   112.63295  -170.37594
   14    13 S   HC   HG11    14     1.09574   110.68741   -66.77430
   15    13 S   HC   HG12    15     1.09672   109.73089    52.46825
   16    13 S   C    _CD1    16     1.51806   112.12372   172.93764
   17    16 S   O    _OE1    17     1.22740   123.24272    10.06697
   18    16 S   N    _N2_    18     1.38663   111.75697  -170.04794
   19    18 S   H    _HN2    19     1.01578   118.92451     1.48464
   20    18 S   CT1  _CA2    20     1.46196   123.35274   176.61181
   21    20 S   HC   _HA2    21     1.09736   109.35940     4.64579
   22    20 S   C    _C2_    22     1.53596   108.55789  -110.81680
   23    22 S   O    _O2_    23     1.23062   122.28318  -147.13922
   24    20 S   CT   _CB2    32     1.53304   111.71666   126.68956
   25    24 S   HC   HB21    33     1.09598   110.22285    56.24520
   26    24 S   HC   HB22    34     1.09443   110.01100   175.15799
   27    22 S   N    _N3_    24     1.38323   113.73323    40.23456
   28    27 S   H    _HN3    25     1.01570   119.62698    -3.10703
   29    24 S   S    _SG2    35     1.82781   111.64975   -64.39614
   30    27 S   CT   _CA3    26     1.45286   123.23980   177.24047
   31    30 S   HC   HA31    27     1.09548   107.49523   -65.09278
   32    30 S   HC   HA32    28     1.09556   108.01087    51.35950
   33    29 S   CT   _C22    36     1.82867    99.34720  -177.02731
   34    33 S   HC   _H3_    37     1.09596   110.33117   -30.51551
   35    30 S   CO3  _C3_    29     1.52966   114.05654   173.36650
   36    35 S   O2Z  _O31    30     1.26380   116.07594    -0.73275
   37    35 S   O2Z  _O32    31     1.26425   114.41750   179.32973
   38    33 S   CO4  _C23    38     1.51741   110.13807    88.04903
   39    38 S   O    _O35    39     1.23140   122.44983   -33.76856
   40    38 S   CM   _C18    40     1.50126   118.03862   151.24744
   41    40 S   CM   _C19    41     1.34971   119.67381   -25.52102
   42    41 S   CM   _C14    42     1.47120   120.14748  -179.26671
   43    41 S   CO4  _C20    69     1.48381   118.46354    -8.16760
   44    43 S   O    _O37    70     1.22195   123.75489  -144.66028
   45    42 S   CO4  _C15    43     1.50561   113.45466    29.68975
   46    45 S   O    _O39    44     1.22309   124.45631   139.22052
   47    42 S   CM   _C12    50     1.35486   126.81340  -148.74689
   48    33 S   CO4  _C21    71     1.50031   107.34174  -146.70229
   49    48 S   O    _O36    72     1.22358   125.28841    56.09574
   50    45 S   CM   _C16    45     1.48270   114.17288   -39.47667
   51    50 S   HC   _H6_    46     1.08322   118.21297  -157.54249
   52    47 S   CO4  _C13    51     1.49510   121.98432     3.39615
   53    52 S   O    _O34    52     1.22484   122.52139    36.02946
   54    40 S   CM   _C17    47     1.46543   120.90462   157.75694
   55    52 S   CA   _C8_    53     1.48414   116.61156  -146.30576
   56    54 S   OH   _O38    48     1.38200   119.04897   -15.63062
   57    56 S   HO   _H7_    49     0.97282   109.43419     7.51424
   58    55 S   CA   _C9_    54     1.40309   120.51739   -16.30710
   59    58 S   CA   _C4_    55     1.40112   120.58723   179.15373
   60    59 S   HA   _H4_    56     1.08701   120.68157   179.87805
   61    58 S   CO4  _C10    65     1.47559   120.96657    -1.98643
   62    61 S   O    _O33    66     1.22104   123.01602   178.44972
   63    59 S   CA   _C5_    57     1.39238   119.46360     0.20077
   64    47 S   CO4  _C11    67     1.48534   122.81736   178.62841
   65    64 S   O    _O40    68     1.21918   125.61944   -41.08048
   66    63 S   CA   _C6_    58     1.39050   120.80396     0.07133
   67    66 S   HA   _H5_    59     1.08698   120.15363  -179.96044
   68    63 S   OH   _O42    63     1.36621   121.06584   179.96044
   69    68 S   HO   _H9_    64     0.97250   108.77585     0.19979
   70    55 S   CA   _C7_    60     1.40431   120.65500   163.22613
   71    70 S   OH   _O41    61     1.36936   123.45735     0.03956
   72    71 S   HO   _H8_    62     0.97350   109.30537     1.71144
  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   8   5   4   3
  10   6   2   1   1  10   4  12  13  15   6   2   8   4  10   1
   1   4   2  10   4   2  12   1   1  11  10   4   5   2   6   1
   1   6   3   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    48    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    54    43    44    48    49  
   38    39    40    43    48    49  
   36    37  
   37  
    0  
   39    40    41    42    50    54    56    43    48    49  
   40    41    54    48  
   41    42    45    50    51    54    56    57    47    43    44    48  
   42    45    46    50    54    56    47    52    64    43    44    48    49  
   45    46    50    51    54    47    52    53    55    61    64    65    43    44    48  
   44    48    49    45    47    54  
   48    49  
   46    50    51    54    56    47    52    64  
   50    51    54    47  
   52    53    55    58    70    61    62    64    65    50  
   49  
    0  
   51    54    56    57  
   54    56  
   53    55    58    59    66    70    71    61    64    65  
   55    58    70    64  
   56    57  
   58    59    60    63    66    67    70    71    72    61    62    64  
   57  
    0  
   59    60    63    66    70    71    68    61    62    64    65  
   60    63    66    67    70    68    69    61    62    64  
   63    66    68    61  
   62    64    65    63    70  
   64    65  
   66    67    70    71    68    69  
   65  
    0  
   67    70    71    72    68    69  
   70    71    68  
   69    70  
    0  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.470000   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   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   64   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    34   340.000  1.090
   33    38   317.000  1.522
   33    48   317.000  1.522
   38    39   570.000  1.229
   38    40   320.000  1.462
   40    41   549.000  1.340
   40    54   380.000  1.444
   41    42   380.000  1.444
   41    43   320.000  1.462
   42    45   320.000  1.462
   42    47   549.000  1.340
   45    46   570.000  1.229
   45    50   320.000  1.462
   50    51   340.000  1.080
   50    54   549.000  1.340
   54    56   510.000  1.338
   56    57   553.000  0.945
   47    52   320.000  1.462
   47    64   320.000  1.462
   52    53   570.000  1.229
   52    55   310.000  1.470
   55    58   469.000  1.400
   55    70   469.000  1.400
   58    59   469.000  1.400
   58    61   310.000  1.470
   59    60   367.000  1.080
   59    63   469.000  1.400
   63    66   469.000  1.400
   63    68   450.000  1.364
   66    67   367.000  1.080
   66    70   469.000  1.400
   70    71   450.000  1.364
   71    72   553.000  0.945
   68    69   553.000  0.945
   61    62   570.000  1.229
   61    64   250.000  1.523
   64    65   570.000  1.229
   43    44   570.000  1.229
   43    48   250.000  1.523
   48    49   570.000  1.229
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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    34    35.00000  109.50000
   29    33    38    75.00000  110.18000
   29    33    48    75.00000  110.18000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  118.62400
   33    48    43    65.00000  115.45000
   33    48    49    80.00000  120.40000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  118.96000
   38    40    54    65.00000  118.96000
   40    38    39    80.00000  123.72100
   40    41    42    70.00000  123.01800
   40    41    43    65.00000  118.96000
   40    54    50    70.00000  123.01800
   40    54    56    80.00000  121.38400
   41    42    45    65.00000  118.96000
   41    42    47    70.00000  123.01800
   41    43    44    80.00000  123.72100
   41    43    48    65.00000  116.00000
   42    45    46    80.00000  123.72100
   42    45    50    65.00000  118.65900
   42    47    52    65.00000  118.96000
   42    47    64    65.00000  118.96000
   45    50    51    40.00000  117.72500
   45    50    54    65.00000  118.96000
   50    45    46    80.00000  123.72100
   50    54    56    80.00000  121.38400
   54    40    41    70.00000  123.01800
   54    50    51    35.00000  120.00000
   54    56    57    70.00000  107.45700
   47    42    45    65.00000  118.96000
   47    52    53    80.00000  123.72100
   47    52    55    65.00000  117.02400
   47    64    61    65.00000  116.00000
   47    64    65    80.00000  123.72100
   52    55    58    60.00000  119.52600
   52    55    70    60.00000  119.52600
   55    52    53    75.00000  123.78400
   55    58    59    63.00000  120.00000
   55    58    61    60.00000  119.52600
   55    70    66    63.00000  120.00000
   55    70    71    70.00000  120.00000
   58    59    60    35.00000  120.00000
   58    59    63    63.00000  120.00000
   58    61    62    75.00000  123.78400
   58    61    64    60.00000  117.28700
   59    63    66    63.00000  120.00000
   59    63    68    70.00000  120.00000
   63    59    60    35.00000  120.00000
   63    66    67    35.00000  120.00000
   63    66    70    63.00000  120.00000
   63    68    69    35.00000  113.00000
   66    70    71    70.00000  120.00000
   70    55    58    63.00000  120.00000
   70    66    67    35.00000  120.00000
   70    71    72    35.00000  113.00000
   68    63    66    70.00000  120.00000
   61    58    59    60.00000  119.52600
   61    64    65    80.00000  119.30300
   64    47    52    65.00000  115.30000
   64    61    62    80.00000  119.30300
   43    41    42    65.00000  118.96000
   43    48    49    80.00000  119.30300
   48    33    34    35.00000  109.50000
   48    33    38    75.00000  107.99600
   48    43    44    80.00000  119.30300
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    34   0.32350  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
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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    38    39   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    48    43   0.65300  1.0 1.0
   29    33    48    43  -0.03850 -1.0 2.0
   29    33    48    43   0.33900  1.0 3.0
   29    33    48    49   0.30150 -1.0 2.0
   33    38    40    41  -0.33500  1.0 1.0
   33    38    40    41   1.06600 -1.0 2.0
   33    38    40    41  -0.14000  1.0 3.0
   33    38    40    54  -0.33500  1.0 1.0
   33    38    40    54   1.06600 -1.0 2.0
   33    38    40    54  -0.14000  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    48    43   0.00000  1.0 1.0
   34    33    48    49   0.00000  1.0 1.0
   38    33    48    43   0.65300  1.0 1.0
   38    33    48    43  -0.03850 -1.0 2.0
   38    33    48    43   0.33900  1.0 3.0
   38    33    48    49   0.30150 -1.0 2.0
   38    40    41    42   7.00000 -1.0 2.0
   38    40   -41    43   7.00000 -1.0 2.0
   38    40    54    50  -0.18600  1.0 3.0
   38    40    54    56   1.08500 -1.0 2.0
   39    38    40    41   1.00000 -1.0 2.0
   39    38    40    54   1.00000 -1.0 2.0
   40    41    42    45  -0.18600  1.0 3.0
   40    41    42    47   0.28850  1.0 1.0
   40    41    42    47   2.61350 -1.0 2.0
   40    41    42    47   0.78400  1.0 3.0
   40    41    43    44   1.00000 -1.0 2.0
   40    41    43    48   0.50400  1.0 1.0
   40    41    43    48   1.60000 -1.0 2.0
   40    41    43    48  -0.01800  1.0 3.0
   40    54    56    57  -0.66100  1.0 1.0
   40    54    56    57   1.20850 -1.0 2.0
   40    54    56    57  -0.36000  1.0 3.0
   41    40    54    50   0.28850  1.0 1.0
   41    40    54    50   2.61350 -1.0 2.0
   41    40    54    50   0.78400  1.0 3.0
   41    40    54    56   0.50950  1.0 1.0
   41    40    54    56   0.56650 -1.0 2.0
   41    40    54    56   0.34050  1.0 3.0
   41    42    45    46   1.00000 -1.0 2.0
   41    42   -45    50  -1.18350  1.0 1.0
   41    42   -45    50   1.45950 -1.0 2.0
   41    42    47    52   7.00000 -1.0 2.0
   41    42    47    64   7.00000 -1.0 2.0
   41    43   -48    33   0.43900  1.0 1.0
   41    43   -48    33  -0.18150 -1.0 2.0
   41    43   -48    33  -0.03650  1.0 3.0
   41    43    48    49   0.03000  1.0 1.0
   41    43    48    49   0.58800 -1.0 2.0
   41    43    48    49   0.15550  1.0 3.0
   42    41    43    44   1.00000 -1.0 2.0
   42    41    43    48   0.50400  1.0 1.0
   42    41    43    48   1.60000 -1.0 2.0
   42    41    43    48  -0.01800  1.0 3.0
   42    45    50    51   0.93700 -1.0 2.0
   42    45    50    54  -1.18350  1.0 1.0
   42    45    50    54   1.45950 -1.0 2.0
   42    47    52    53   1.00000 -1.0 2.0
   42    47    52    55  -1.65800  1.0 1.0
   42    47    52    55   0.77650 -1.0 2.0
   42    47    64    61   0.50400  1.0 1.0
   42    47    64    61   1.60000 -1.0 2.0
   42    47    64    61  -0.01800  1.0 3.0
   42    47    64    65   1.00000 -1.0 2.0
   45    42    47    52   7.00000 -1.0 2.0
   45    42    47    64   7.00000 -1.0 2.0
   45    50   -54    40   7.00000 -1.0 2.0
   45    50    54    56   7.00000 -1.0 2.0
   46    45    50    51   0.00000  1.0 1.0
   46    45    50    54   1.00000 -1.0 2.0
   50    54    56    57  -0.66100  1.0 1.0
   50    54    56    57   1.20850 -1.0 2.0
   50    54    56    57  -0.36000  1.0 3.0
   51    50    54    40   7.00000 -1.0 2.0
   51    50    54    56   7.00000 -1.0 2.0
   54    40   -41    42   7.00000 -1.0 2.0
   54    40    41    43   7.00000 -1.0 2.0
   47    42    45    46   1.00000 -1.0 2.0
   47    42    45    50  -1.18350  1.0 1.0
   47    42    45    50   1.45950 -1.0 2.0
   47    52    55    58  -0.11500  1.0 1.0
   47    52    55    58   1.10450 -1.0 2.0
   47    52    55    58  -0.48050  1.0 3.0
   47    52    55    70  -0.11500  1.0 1.0
   47    52    55    70   1.10450 -1.0 2.0
   47    52    55    70  -0.48050  1.0 3.0
   52    47    64    61   1.50000 -1.0 2.0
   52    47    64    65   2.50000 -1.0 2.0
   52    55    58    59   3.62500 -1.0 2.0
   52    55   -58    61   3.62500 -1.0 2.0
   52    55    70    66   3.62500 -1.0 2.0
   52    55    70    71   3.62500 -1.0 2.0
   53    52    55    58   1.05000 -1.0 2.0
   53    52    55    70   1.05000 -1.0 2.0
   55    58    59    60   3.62500 -1.0 2.0
   55    58    59    63   3.62500 -1.0 2.0
   55    58    61    62   1.05000 -1.0 2.0
   55    58    61    64   0.56600 -1.0 2.0
   55    70    71    72   0.84100 -1.0 2.0
   58    55    70    66   3.62500 -1.0 2.0
   58    55    70    71   3.62500 -1.0 2.0
   58    59   -63    66   3.62500 -1.0 2.0
   58    59    63    68   3.62500 -1.0 2.0
   58    61   -64    47   0.43900  1.0 1.0
   58    61   -64    47  -0.18150 -1.0 2.0
   58    61   -64    47  -0.03650  1.0 3.0
   58    61    64    65   0.03000  1.0 1.0
   58    61    64    65   0.58800 -1.0 2.0
   58    61    64    65   0.15550  1.0 3.0
   59    58    61    62   1.05000 -1.0 2.0
   59    58    61    64   0.56600 -1.0 2.0
   59    63    66    67   3.62500 -1.0 2.0
   59    63    66    70   3.62500 -1.0 2.0
   59    63    68    69   0.84100 -1.0 2.0
   60    59    63    66   3.62500 -1.0 2.0
   60    59    63    68   3.62500 -1.0 2.0
   63    66   -70    55   3.62500 -1.0 2.0
   63    66    70    71   3.62500 -1.0 2.0
   66    63    68    69   0.84100 -1.0 2.0
   66    70    71    72   0.84100 -1.0 2.0
   67    66    70    55   3.62500 -1.0 2.0
   67    66    70    71   3.62500 -1.0 2.0
   70    55   -58    59   3.62500 -1.0 2.0
   70    55    58    61   3.62500 -1.0 2.0
   68    63    66    67   3.62500 -1.0 2.0
   68    63    66    70   3.62500 -1.0 2.0
   61    58    59    60   3.62500 -1.0 2.0
   61    58    59    63   3.62500 -1.0 2.0
   62    61    64    47   0.03000  1.0 1.0
   62    61    64    47   0.58800 -1.0 2.0
   62    61    64    47   0.15550  1.0 3.0
   62    61    64    65   0.06100 -1.0 2.0
   64    47    52    53   2.50000 -1.0 2.0
   64    47   -52    55   1.50000 -1.0 2.0
   43    41    42    45   1.08500 -1.0 2.0
   43    41    42    47  -0.18600  1.0 3.0
   44    43    48    33   0.49600 -1.0 2.0
   44    43    48    49   0.06100 -1.0 2.0
   48    33    38    39   0.30150 -1.0 2.0
   48    33   -38    40   0.65300  1.0 1.0
   48    33   -38    40  -0.03850 -1.0 2.0
   48    33   -38    40   0.33900  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
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   38    54    40    41   1.10000 -1.0 2.0
   42    43    41    40   1.10000 -1.0 2.0
   41    45    42    47   1.10000 -1.0 2.0
   42    50    45    46  10.50000 -1.0 2.0
   45    51    50    54   1.10000 -1.0 2.0
   40    56    54    50   1.10000 -1.0 2.0
   52    64    47    42   1.10000 -1.0 2.0
   47    55    52    53  10.50000 -1.0 2.0
   58    70    55    52   4.00000 -1.0 2.0
   59    61    58    55   4.00000 -1.0 2.0
   63    60    59    58   1.10000 -1.0 2.0
   66    68    63    59   4.00000 -1.0 2.0
   70    67    66    63   1.10000 -1.0 2.0
   66    71    70    55   4.00000 -1.0 2.0
   58    64    61    62  10.50000 -1.0 2.0
   47    61    64    65  10.50000 -1.0 2.0
   41    48    43    44  10.50000 -1.0 2.0
   33    43    48    49  10.50000 -1.0 2.0
END
