* LIGAND DATABASE FILE (OPLS2005)
*
001      72    75    127    215     380
    1     0 S   NP   _N1_     1    28.69769    95.12132   -23.85481
    2     1 S   H    _HN1     2     1.02948    78.48180    12.65080
    3     1 S   H    _H1_     3     1.02825    30.51656   172.06128
    4     1 S   H    _H2_     4     1.02785   108.05606   -93.13090
    5     1 S   CT   _CA1     5     1.50127   132.58990   119.83413
    6     5 S   HC   _HA1     6     1.09573   105.17432    84.68618
    7     5 S   CO3  _C1_     7     1.53777   112.45842   -35.52065
    8     7 S   O2Z  _O11     8     1.26376   114.99755   -42.09317
    9     7 S   O2Z  _O12     9     1.26236   114.94553   136.94564
   10     5 S   CT   _CB1    10     1.53066   107.40030  -157.33747
   11    10 S   HC   HB11    11     1.09837   109.34021   -49.44865
   12    10 S   HC   HB12    12     1.09812   110.45907    67.14694
   13    10 S   CT   _CG1    13     1.53003   112.64328  -170.40843
   14    13 S   HC   HG11    14     1.09576   110.67704   -66.64272
   15    13 S   HC   HG12    15     1.09670   109.75221    52.60938
   16    13 S   C    _CD1    16     1.51807   112.10711   173.05768
   17    16 S   O    _OE1    17     1.22744   123.24924     9.43065
   18    16 S   N    _N2_    18     1.38655   111.76486  -170.65910
   19    18 S   H    _HN2    19     1.01586   118.92984     1.43913
   20    18 S   CT1  _CA2    20     1.46175   123.33233   177.09653
   21    20 S   HC   _HA2    21     1.09736   109.39108     4.48816
   22    20 S   C    _C2_    22     1.53590   108.65637  -111.08216
   23    22 S   O    _O2_    23     1.23073   122.21896  -147.41903
   24    20 S   CT   _CB2    32     1.53472   111.67853   126.57197
   25    24 S   HC   HB21    33     1.09444   109.41540    56.85600
   26    24 S   HC   HB22    34     1.09307   109.40235   175.85074
   27    22 S   N    _N3_    24     1.38304   113.75733    39.95701
   28    27 S   H    _HN3    25     1.01576   119.60935    -3.22142
   29    24 S   S    _SG2    35     1.82851   111.23435   -64.18920
   30    27 S   CT   _CA3    26     1.45291   123.24210   177.22202
   31    30 S   HC   HA31    27     1.09548   107.50154   -64.88481
   32    30 S   HC   HA32    28     1.09556   107.99843    51.56141
   33    29 S   CT   _C12    36     1.89662   102.46414   179.86583
   34    30 S   CO3  _C3_    29     1.52974   114.06223   173.56498
   35    34 S   O2Z  _O31    30     1.26379   116.06302    -0.66676
   36    34 S   O2Z  _O32    31     1.26426   114.41709   179.39672
   37    33 S   CM   _C14    37     1.55821   110.98789  -170.56072
   38    33 S   CO4  _C13    55     1.53470   101.58637    71.92694
   39    38 S   O    _O33    56     1.23217   121.27348    68.67977
   40    37 S   CM   _C19    38     1.36072   126.17837  -146.94152
   41    38 S   CA   _C8_    57     1.48899   119.86303  -109.01635
   42    40 S   CM   _C18    39     1.47140   123.34279   167.96848
   43    41 S   CA   _C9_    58     1.39872   120.64133    -3.83967
   44    42 S   CM   _C17    40     1.46305   118.11754    16.39953
   45    42 S   CMA  _C23    47     1.36246   118.72249  -162.41573
   46    45 S   OM   _O35    48     1.26421   131.90315  -179.63150
   47    43 S   CA   _C4_    59     1.40449   120.38246   179.15674
   48    47 S   HA   _H3_    60     1.08729   120.65222   179.97202
   49    43 S   CO4  _C10    69     1.47112   122.07287    -1.05536
   50    49 S   O    _O40    70     1.22380   121.77445  -179.93744
   51    44 S   CM   _C16    41     1.33225   120.43657    -7.82815
   52    51 S   HC   _H5_    42     1.08448   121.37082   179.93744
   53    44 S   OH   _O37    45     1.38247   120.12400   172.42537
   54    53 S   HO   _H7_    46     0.97532   107.83032     2.37520
   55    45 S   CM   _C22    49     1.46888   118.66103     3.73638
   56    55 S   HC   _H6_    50     1.09341   116.94322   164.09288
   57    47 S   CA   _C5_    61     1.39144   119.90735     0.04423
   58    33 S   CO4  _C11    71     1.50725   108.17566   -52.63388
   59    58 S   O    _O39    72     1.22599   124.90248   -72.59152
   60    37 S   CO4  _C15    43     1.52247   118.61680    37.44326
   61    60 S   O    _O38    44     1.22856   123.19149     8.82194
   62    55 S   CMA  _C21    51     1.34883   126.48961   -15.94089
   63    62 S   OM   _O36    52     1.26211   130.70994  -178.95657
   64    57 S   CA   _C6_    62     1.38738   120.57691     0.19782
   65    64 S   HA   _H4_    63     1.08676   120.24383   179.72375
   66    57 S   OH   _O42    67     1.36581   121.16243  -179.90513
   67    66 S   HO   _H9_    68     0.97242   108.72581    -0.46436
   68    40 S   CO4  _C20    53     1.49956   120.65339   -16.30301
   69    68 S   O    _O34    54     1.22908   121.00833   -36.64792
   70    41 S   CA   _C7_    64     1.40795   120.80442   175.76964
   71    70 S   OH   _O41    65     1.37023   123.63675     0.91685
   72    71 S   HO   _H8_    66     0.97397   108.85256     6.73924
  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
  16   2   1   1  17  12   4  14  12  13  11  10   8   3  10   4
   5   2   5   3   2   1   5   3   6   2   1   2   1   3   2   6
   3   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    58    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    60    38    39    41    49    58    59  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    42    51    60    61    68    38    39    41    43    70    49    50    58    59  
   35    36  
   36  
    0  
   40    42    44    51    52    60    61    45    62    68    69    38    39    41    49    58    59  
   39    41    43    47    64    70    71    49    58    59    40    60  
   41    43    70    58  
   42    44    51    60    61    53    45    46    55    62    63    68    69    58  
   43    47    48    57    64    65    70    71    72    49    50    58  
   44    51    52    60    53    54    45    46    55    56    62    68    69  
   47    48    57    64    70    71    66    49    50    58    59  
   51    52    60    61    53    54    45    46    55    68  
   46    55    56    62    63    68    51    53  
   55    56    62  
   48    57    64    65    70    66    67    49    50    58  
   57    64    66    49  
   50    58    59    57    70  
   58    59  
   52    60    61    53    54  
   60    61    53  
   54    60  
    0  
   56    62    63    68    69  
   62    63    68  
   64    65    70    71    66    67  
   59    60  
    0  
   61    68  
    0  
   63    68    69  
   68    69  
   65    70    71    72    66    67  
   70    71    66  
   67    70  
    0  
   69  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0760  -1.317400   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   58   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   63   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    38   317.000  1.522
   33    58   317.000  1.522
   37    40   549.000  1.340
   37    60   320.000  1.462
   40    42   380.000  1.444
   40    68   320.000  1.462
   42    44   380.000  1.444
   42    45   465.000  1.376
   44    51   549.000  1.340
   44    53   510.000  1.338
   51    52   340.000  1.080
   51    60   320.000  1.462
   60    61   570.000  1.229
   53    54   553.000  0.945
   45    46   745.000  1.250
   45    55   465.000  1.376
   55    56   340.000  1.080
   55    62   465.000  1.376
   62    63   745.000  1.250
   62    68   270.000  1.476
   68    69   570.000  1.229
   38    39   570.000  1.229
   38    41   310.000  1.470
   41    43   469.000  1.400
   41    70   469.000  1.400
   43    47   469.000  1.400
   43    49   310.000  1.470
   47    48   367.000  1.080
   47    57   469.000  1.400
   57    64   469.000  1.400
   57    66   450.000  1.364
   64    65   367.000  1.080
   64    70   469.000  1.400
   70    71   450.000  1.364
   71    72   553.000  0.945
   66    67   553.000  0.945
   49    50   570.000  1.229
   49    58   250.000  1.523
   58    59   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    38    75.00000  110.18000
   29    33    58    75.00000  110.18000
   33    37    40    70.00000  124.00000
   33    37    60    65.00000  116.34900
   33    38    39    80.00000  120.40000
   33    38    41    65.00000  115.47100
   33    58    49    65.00000  115.45000
   33    58    59    80.00000  120.40000
   37    40    42    70.00000  123.01800
   37    40    68    65.00000  118.96000
   37    60    51    65.00000  118.65900
   37    60    61    80.00000  123.72100
   40    42    44    70.00000  123.01800
   40    42    45    70.00000  117.34000
   40    68    62    65.00000  118.65900
   40    68    69    80.00000  123.72100
   42    44    51    70.00000  123.01800
   42    44    53    80.00000  121.38400
   42    45    46    65.00000  137.10300
   42    45    55    70.00000  123.01800
   44    51    52    35.00000  120.00000
   44    51    60    65.00000  118.96000
   44    53    54    70.00000  107.45700
   51    60    61    80.00000  123.72100
   60    37    40    65.00000  118.96000
   60    51    52    40.00000  117.72500
   53    44    51    80.00000  121.38400
   45    42    44    70.00000  117.34000
   45    55    56    40.00000  120.50800
   45    55    62    70.00000  117.34000
   55    45    46    65.00000  137.10300
   55    62    63    65.00000  137.10300
   55    62    68    65.00000  114.61000
   62    55    56    40.00000  120.50800
   62    68    69    80.00000  120.81000
   68    40    42    65.00000  118.96000
   68    62    63    85.00000  116.28000
   38    33    37    70.00000  109.06800
   38    41    43    60.00000  119.52600
   38    41    70    60.00000  119.52600
   41    38    39    75.00000  123.78400
   41    43    47    63.00000  120.00000
   41    43    49    60.00000  119.52600
   41    70    64    63.00000  120.00000
   41    70    71    70.00000  120.00000
   43    47    48    35.00000  120.00000
   43    47    57    63.00000  120.00000
   43    49    50    75.00000  123.78400
   43    49    58    60.00000  117.28700
   47    57    64    63.00000  120.00000
   47    57    66    70.00000  120.00000
   57    47    48    35.00000  120.00000
   57    64    65    35.00000  120.00000
   57    64    70    63.00000  120.00000
   57    66    67    35.00000  113.00000
   64    70    71    70.00000  120.00000
   70    41    43    63.00000  120.00000
   70    64    65    35.00000  120.00000
   70    71    72    35.00000  113.00000
   66    57    64    70.00000  120.00000
   49    43    47    60.00000  119.52600
   49    58    59    80.00000  119.30300
   58    33    37    70.00000  109.06800
   58    33    38    75.00000  107.99600
   58    49    50    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    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   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
   24    29    33    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    60   0.09700  1.0 1.0
   29    33    37    60   0.15600 -1.0 2.0
   29    33    37    60  -0.50800  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    41   0.65300  1.0 1.0
   29    33    38    41  -0.03850 -1.0 2.0
   29    33    38    41   0.33900  1.0 3.0
   29    33    58    49   0.65300  1.0 1.0
   29    33    58    49  -0.03850 -1.0 2.0
   29    33    58    49   0.33900  1.0 3.0
   29    33    58    59   0.30150 -1.0 2.0
   33    37    40    42   7.00000 -1.0 2.0
   33    37    40    68   7.00000 -1.0 2.0
   33    37    60    51   1.50000 -1.0 2.0
   33    37    60    61  -0.64400  1.0 1.0
   33    37    60    61   0.26850 -1.0 2.0
   33    38    41    43   2.26350  1.0 1.0
   33    38    41    43   0.76750 -1.0 2.0
   33    38    41    43   0.22500  1.0 3.0
   33    38    41    70   2.26350  1.0 1.0
   33    38    41    70   0.76750 -1.0 2.0
   33    38    41    70   0.22500  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    33    38    41   0.65300  1.0 1.0
   37    33    38    41  -0.03850 -1.0 2.0
   37    33    38    41   0.33900  1.0 3.0
   37    33    58    49   0.65300  1.0 1.0
   37    33    58    49  -0.03850 -1.0 2.0
   37    33    58    49   0.33900  1.0 3.0
   37    33    58    59   0.30150 -1.0 2.0
   37    40    42    44   0.28850  1.0 1.0
   37    40    42    44   2.61350 -1.0 2.0
   37    40    42    44   0.78400  1.0 3.0
   37    40    42    45   0.28850  1.0 1.0
   37    40    42    45   2.61350 -1.0 2.0
   37    40    42    45   0.78400  1.0 3.0
   37    40    68    62  -1.18350  1.0 1.0
   37    40    68    62   1.45950 -1.0 2.0
   37    40    68    69   1.00000 -1.0 2.0
   40    37    60    51  -1.18350  1.0 1.0
   40    37    60    51   1.45950 -1.0 2.0
   40    37    60    61   1.00000 -1.0 2.0
   40    42   -44    51   0.28850  1.0 1.0
   40    42   -44    51   2.61350 -1.0 2.0
   40    42   -44    51   0.78400  1.0 3.0
   40    42    44    53   0.50950  1.0 1.0
   40    42    44    53   0.56650 -1.0 2.0
   40    42    44    53   0.34050  1.0 3.0
   40    42    45    46   7.00000 -1.0 2.0
   40    42    45    55   7.00000 -1.0 2.0
   42    40    68    62  -1.18350  1.0 1.0
   42    40    68    62   1.45950 -1.0 2.0
   42    40    68    69   1.00000 -1.0 2.0
   42    44    51    52   7.00000 -1.0 2.0
   42    44    51    60   7.00000 -1.0 2.0
   42    44    53    54  -0.66100  1.0 1.0
   42    44    53    54   1.20850 -1.0 2.0
   42    44    53    54  -0.36000  1.0 3.0
   42    45    55    56   7.00000 -1.0 2.0
   42    45   -55    62   7.00000 -1.0 2.0
   44    42    45    46   7.00000 -1.0 2.0
   44    42    45    55   7.00000 -1.0 2.0
   44    51   -60    37  -1.18350  1.0 1.0
   44    51   -60    37   1.45950 -1.0 2.0
   44    51    60    61   1.00000 -1.0 2.0
   51    44    53    54  -0.66100  1.0 1.0
   51    44    53    54   1.20850 -1.0 2.0
   51    44    53    54  -0.36000  1.0 3.0
   52    51    60    37   0.93700 -1.0 2.0
   52    51    60    61   0.00000  1.0 1.0
   60    37   -40    42   7.00000 -1.0 2.0
   60    37    40    68   7.00000 -1.0 2.0
   53    44    51    52   7.00000 -1.0 2.0
   53    44    51    60   7.00000 -1.0 2.0
   45    42    44    51   0.28850  1.0 1.0
   45    42    44    51   2.61350 -1.0 2.0
   45    42    44    51   0.78400  1.0 3.0
   45    42    44    53   0.50950  1.0 1.0
   45    42    44    53   0.56650 -1.0 2.0
   45    42    44    53   0.34050  1.0 3.0
   45    55    62    63   7.00000 -1.0 2.0
   45    55    62    68   7.00000 -1.0 2.0
   46    45    55    56   7.00000 -1.0 2.0
   46    45    55    62   7.00000 -1.0 2.0
   55    62   -68    40  -1.18350  1.0 1.0
   55    62   -68    40   1.45950 -1.0 2.0
   55    62    68    69   1.00000 -1.0 2.0
   56    55    62    63   7.00000 -1.0 2.0
   56    55    62    68   7.00000 -1.0 2.0
   63    62    68    40   1.50000 -1.0 2.0
   63    62    68    69  -0.11900  1.0 1.0
   63    62    68    69   0.76850 -1.0 2.0
   63    62    68    69   0.14100  1.0 3.0
   68    40    42    44  -0.18600  1.0 3.0
   68    40   -42    45  -0.18600  1.0 3.0
   38    33    37    40  -0.51250  1.0 1.0
   38    33    37    40  -0.88800 -1.0 2.0
   38    33    37    40   0.08850  1.0 3.0
   38    33    37    60   0.09700  1.0 1.0
   38    33    37    60   0.15600 -1.0 2.0
   38    33    37    60  -0.50800  1.0 3.0
   38    33    58    49   0.65300  1.0 1.0
   38    33    58    49  -0.03850 -1.0 2.0
   38    33    58    49   0.33900  1.0 3.0
   38    33    58    59   0.30150 -1.0 2.0
   38    41    43    47   3.62500 -1.0 2.0
   38    41   -43    49   3.62500 -1.0 2.0
   38    41    70    64   3.62500 -1.0 2.0
   38    41    70    71   3.62500 -1.0 2.0
   39    38    41    43   1.05000 -1.0 2.0
   39    38    41    70   1.05000 -1.0 2.0
   41    43    47    48   3.62500 -1.0 2.0
   41    43    47    57   3.62500 -1.0 2.0
   41    43    49    50   1.05000 -1.0 2.0
   41    43    49    58   0.56600 -1.0 2.0
   41    70    71    72   0.84100 -1.0 2.0
   43    41    70    64   3.62500 -1.0 2.0
   43    41    70    71   3.62500 -1.0 2.0
   43    47   -57    64   3.62500 -1.0 2.0
   43    47    57    66   3.62500 -1.0 2.0
   43    49   -58    33   0.43900  1.0 1.0
   43    49   -58    33  -0.18150 -1.0 2.0
   43    49   -58    33  -0.03650  1.0 3.0
   43    49    58    59   0.03000  1.0 1.0
   43    49    58    59   0.58800 -1.0 2.0
   43    49    58    59   0.15550  1.0 3.0
   47    43    49    50   1.05000 -1.0 2.0
   47    43    49    58   0.56600 -1.0 2.0
   47    57    64    65   3.62500 -1.0 2.0
   47    57    64    70   3.62500 -1.0 2.0
   47    57    66    67   0.84100 -1.0 2.0
   48    47    57    64   3.62500 -1.0 2.0
   48    47    57    66   3.62500 -1.0 2.0
   57    64   -70    41   3.62500 -1.0 2.0
   57    64    70    71   3.62500 -1.0 2.0
   64    57    66    67   0.84100 -1.0 2.0
   64    70    71    72   0.84100 -1.0 2.0
   65    64    70    41   3.62500 -1.0 2.0
   65    64    70    71   3.62500 -1.0 2.0
   70    41   -43    47   3.62500 -1.0 2.0
   70    41    43    49   3.62500 -1.0 2.0
   66    57    64    65   3.62500 -1.0 2.0
   66    57    64    70   3.62500 -1.0 2.0
   49    43    47    48   3.62500 -1.0 2.0
   49    43    47    57   3.62500 -1.0 2.0
   50    49    58    33   0.49600 -1.0 2.0
   50    49    58    59   0.06100 -1.0 2.0
   58    33    37    40  -0.51250  1.0 1.0
   58    33    37    40  -0.88800 -1.0 2.0
   58    33    37    40   0.08850  1.0 3.0
   58    33    37    60   0.09700  1.0 1.0
   58    33    37    60   0.15600 -1.0 2.0
   58    33    37    60  -0.50800  1.0 3.0
   58    33    38    39   0.30150 -1.0 2.0
   58    33   -38    41   0.65300  1.0 1.0
   58    33   -38    41  -0.03850 -1.0 2.0
   58    33   -38    41   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
   35    30    34    36  10.50000 -1.0 2.0
   33    60    37    40   1.10000 -1.0 2.0
   42    68    40    37   1.10000 -1.0 2.0
   40    44    42    45   1.10000 -1.0 2.0
   42    53    44    51   1.10000 -1.0 2.0
   60    52    51    44   1.10000 -1.0 2.0
   37    51    60    61  10.50000 -1.0 2.0
   55    46    45    42   1.10000 -1.0 2.0
   45    56    55    62   1.10000 -1.0 2.0
   68    63    62    55   1.10000 -1.0 2.0
   40    62    68    69  10.50000 -1.0 2.0
   33    41    38    39  10.50000 -1.0 2.0
   43    70    41    38   4.00000 -1.0 2.0
   47    49    43    41   4.00000 -1.0 2.0
   57    48    47    43   1.10000 -1.0 2.0
   64    66    57    47   4.00000 -1.0 2.0
   70    65    64    57   1.10000 -1.0 2.0
   64    71    70    41   4.00000 -1.0 2.0
   43    58    49    50  10.50000 -1.0 2.0
   33    49    58    59  10.50000 -1.0 2.0
END
