* LIGAND DATABASE FILE (OPLS2005)
*
001      75    78    147    242     434
    1     0 S   NP   _N1_     1    29.22501    95.75417   -18.65629
    2     1 S   H    _HN1     2     1.02782    72.18424   -65.38641
    3     1 S   H    _H1_     3     1.02961    99.50287    40.89495
    4     1 S   H    _H2_     4     1.02842    41.29698   146.01289
    5     1 S   CT   _CA1     5     1.50123   145.43871  -168.88190
    6     5 S   HC   _HA1     6     1.09577   105.25362    29.23919
    7     5 S   CO3  _C1_     7     1.53938   112.15096   -90.88097
    8     7 S   O2Z  _O11     8     1.26352   115.08214   -47.96427
    9     7 S   O2Z  _O12     9     1.26243   114.87993   131.01917
   10     5 S   CT   _CB1    10     1.53114   107.37585   146.99058
   11    10 S   HC   HB11    11     1.09815   109.54771   -50.70296
   12    10 S   HC   HB12    12     1.09775   110.32344    65.79863
   13    10 S   CT   _CG1    13     1.52971   112.61353  -171.84081
   14    13 S   HC   HG11    14     1.09524   110.17986   -56.49858
   15    13 S   HC   HG12    15     1.09605   110.27689    62.40163
   16    13 S   C    _CD1    16     1.51896   111.95629  -177.53050
   17    16 S   O    _OE1    17     1.22714   123.08904   -21.28317
   18    16 S   N    _N2_    18     1.38513   111.78628   159.26277
   19    18 S   H    _HN2    19     1.01616   118.87251     1.11820
   20    18 S   CT1  _CA2    20     1.46261   123.89038  -177.87763
   21    20 S   HC   _HA2    21     1.09719   109.43940   -15.64628
   22    20 S   C    _C2_    22     1.53436   107.89337  -131.27381
   23    22 S   O    _O2_    23     1.22998   122.36557  -144.49659
   24    20 S   CT   _CB2    32     1.53520   111.15266   106.81823
   25    24 S   HC   HB21    33     1.09580   109.80067    50.42428
   26    24 S   HC   HB22    34     1.09492   110.86860   168.95652
   27    22 S   N    _N3_    24     1.38543   113.27989    42.81809
   28    27 S   H    _HN3    25     1.01530   118.93785    -0.46352
   29    24 S   S    _SG2    35     1.83131   111.98032   -72.28379
   30    27 S   CT   _CA3    26     1.45447   123.38646   175.14006
   31    30 S   HC   HA31    27     1.09527   109.14913    25.86416
   32    30 S   HC   HA32    28     1.09492   107.13358   142.86327
   33    29 S   CT   _C13    36     1.84764    99.87622   142.95907
   34    33 S   HC   _H3_    37     1.09636   105.12010    35.67820
   35    30 S   CO3  _C3_    29     1.52937   113.21970   -97.54842
   36    35 S   O2Z  _O31    30     1.26395   115.46455   -42.75876
   37    35 S   O2Z  _O32    31     1.26364   114.94041   138.19247
   38    33 S   CT   _C12    38     1.55061   113.59256   153.09191
   39    38 S   HC   _H31    39     1.09494   109.33167  -130.42874
   40    38 S   C3T  _C15    40     1.51191   106.24473   111.82856
   41    38 S   OH   _O20    74     1.42125   114.14680   -11.12482
   42    41 S   HO   _H40    75     0.97236   107.41462   -42.39973
   43    40 S   C3T  _C7_    41     1.52316   118.60016   154.81650
   44    43 S   HC   _H25    42     1.07906   121.19664  -150.54295
   45    43 S   HC   _H26    43     1.08408   118.33951    -2.73545
   46    40 S   CT   _C14    45     1.53387   111.23352    -6.20258
   47    40 S   O3T  _O18    44     1.44104   115.60721  -140.03382
   48    46 S   CT   _C11    46     1.55565   117.88160   142.96343
   49    48 S   HC   _H30    47     1.09614   107.16661   165.24705
   50    46 S   CT   _C18    70     1.55362   108.27375   -95.41385
   51    50 S   HC   _H36    71     1.09333   112.33447    50.09231
   52    50 S   HC   _H37    72     1.09637   111.01723   -69.06797
   53    50 S   HC   _H38    73     1.09444   111.71194   171.70701
   54    48 S   CT   _C10    48     1.54018   115.28103   -75.79338
   55    54 S   HC   _H29    49     1.09498   111.77125   170.17963
   56    48 S   OH   _O19    68     1.42420   111.53195    51.50373
   57    56 S   HO   _H39    69     0.97243   107.78474   172.77756
   58    54 S   CT   _C9_    50     1.52816   112.21423   -62.48866
   59    58 S   HC   _H28    51     1.10433   106.59457   179.93744
   60    58 S   CT   _C8_    52     1.54219    97.07280    69.79554
   61    60 S   HC   _H27    53     1.09506   110.22345   163.87714
   62    58 S   CM   _C6_    60     1.51491   119.13436   -63.36229
   63    60 S   CO4  _C4_    54     1.51358    96.76752    48.92768
   64    63 S   O    _O16    55     1.21929   126.64560   146.41595
   65    33 S   CT   _C16    57     1.56656   114.64336   -85.81448
   66    62 S   CM   _C5_    61     1.34336   123.16969   149.09488
   67    66 S   HC   _H23    62     1.08565   121.33710   177.37430
   68    66 S   HC   _H24    63     1.08400   122.07952    -1.81962
   69    62 S   CT   _C17    64     1.50665   117.10279   -37.41568
   70    69 S   HC   _H33    65     1.09508   110.15603   -51.62854
   71    69 S   HC   _H34    66     1.09305   111.26558    68.81949
   72    69 S   HC   _H35    67     1.09554   112.17513  -171.04476
   73    54 S   OS   _O17    56     1.44277   110.54541    50.07817
   74    65 S   OH   _O21    58     1.42303   110.55198    22.61619
   75    74 S   HO   _H41    59     0.97255   107.86962   -43.23197
  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
  18   8   2   1   1  14   7  18   5   1   7   3   2  19   3  17
   8   8   3   2   1  14   7   4   1  16   8  10   6  10   4   2
   3   6   2   1   3   2   1   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    65    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    60    65    74    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    47    46    48    58    60    61    63    65    74    75    50    41    42  
   38    39    40    46    60    65    74    41  
   36    37  
   37  
    0  
   39    40    43    44    45    47    46    48    60    65    74    50    41    42  
   40    43    47    46    65    41    42  
   43    44    45    47    46    48    49    54    60    65    74    56    50    51    52    53    41    42  
   42    43    46    47    65  
    0  
   44    45    47    46    48    65    50  
   45    47    46  
   47    46  
   48    49    54    55    58    60    61    63    73    65    74    75    56    57    50    51    52    53    47  
   48    65    50  
   49    54    55    58    59    60    63    73    65    74    62    56    57    50    51    52    53  
   54    55    58    73    65    56    57    50  
   51    52    53    54    56    60    65    74  
   52    53    65  
   53    65  
   65  
   55    58    59    60    61    63    64    73    65    62    66    69    56    57  
   58    59    60    63    73    62    56  
   57    58    65    73  
    0  
   59    60    61    63    64    73    65    74    62    66    67    68    69    70    71    72  
   60    61    63    73    65    62    66    69  
   61    63    64    73    65    74    75    62    66    69  
   63    64    73    65    74    62  
   66    67    68    69    70    71    72    63    65    73  
   64    73    65    74  
   73    65  
   74    75    73  
   67    68    69    70    71    72  
   68    69  
   69  
   70    71    72  
   71    72  
   72  
    0  
    0  
   75  
    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   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   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   268.000  1.529
   33    65   268.000  1.529
   38    39   340.000  1.090
   38    40   275.000  1.510
   38    41   320.000  1.410
   40    43   260.000  1.509
   40    47   335.000  1.432
   40    46   275.000  1.510
   43    44   340.000  1.088
   43    45   340.000  1.088
   43    47   335.000  1.432
   46    48   268.000  1.529
   46    65   268.000  1.529
   46    50   268.000  1.529
   48    49   340.000  1.090
   48    54   268.000  1.529
   48    56   320.000  1.410
   54    55   340.000  1.090
   54    58   268.000  1.529
   54    73   320.000  1.410
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    62   317.000  1.510
   60    61   340.000  1.090
   60    63   317.000  1.522
   60    65   268.000  1.529
   63    64   570.000  1.229
   63    73   214.000  1.327
   65    74   320.000  1.410
   74    75   553.000  0.945
   62    66   549.000  1.340
   62    69   317.000  1.510
   66    67   340.000  1.080
   66    68   340.000  1.080
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   56    57   553.000  0.945
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   41    42   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  111.63000
   29    33    65    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    70.00000  112.37300
   33    38    41    50.00000  109.50000
   33    65    46    58.35000  112.70000
   33    65    60    58.35000  112.70000
   33    65    74    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    43    60.00000  120.94000
   38    40    47    80.00000  116.47100
   38    40    46    58.35000  112.70000
   38    41    42    55.00000  108.50000
   40    38    39    45.00000  109.38400
   40    43    44    37.50000  117.20000
   40    43    45    37.50000  117.20000
   40    43    47    15.00000   60.43100
   40    47    43    15.00000   59.14900
   40    46    48    70.00000  112.37300
   40    46    65    70.00000  112.37300
   40    46    50    70.00000  112.37300
   45    43    44    35.00000  114.30000
   47    40    43    15.00000   60.43100
   47    43    44    50.00000  114.27700
   47    43    45    50.00000  114.27700
   46    40    43    60.00000  120.94000
   46    40    47    80.00000  116.47100
   46    48    49    37.50000  110.70000
   46    48    54    58.35000  112.70000
   46    48    56    50.00000  109.50000
   46    65    60    58.35000  112.70000
   46    65    74    50.00000  109.50000
   46    50    51    37.50000  110.70000
   46    50    52    37.50000  110.70000
   46    50    53    37.50000  110.70000
   48    54    55    37.50000  110.70000
   48    54    58    58.35000  112.70000
   48    54    73    50.00000  109.50000
   48    56    57    55.00000  108.50000
   54    48    49    37.50000  110.70000
   54    58    59    37.50000  110.70000
   54    58    60    58.35000  112.70000
   54    58    62    70.00000  112.02700
   54    73    63    83.00000  116.90000
   58    54    55    37.50000  110.70000
   58    60    61    37.50000  110.70000
   58    60    63    63.00000  111.10000
   58    60    65    58.35000  112.70000
   58    62    66    70.00000  124.00000
   58    62    69    65.00000  117.92700
   60    58    59    37.50000  110.70000
   60    63    64    80.00000  120.40000
   60    63    73    81.00000  111.40000
   60    65    74    50.00000  109.50000
   63    60    61    35.00000  109.50000
   73    54    55    35.00000  109.50000
   73    54    58    50.00000  109.50000
   73    63    64    83.00000  123.40000
   65    33    34    37.50000  110.70000
   65    33    38    58.35000  112.70000
   65    46    48    58.35000  112.70000
   65    60    61    37.50000  110.70000
   65    60    63    63.00000  111.10000
   65    74    75    55.00000  108.50000
   62    58    59    35.00000  109.50000
   62    58    60    70.00000  112.02700
   62    66    67    35.00000  120.00000
   62    66    68    35.00000  120.00000
   62    69    70    35.00000  109.50000
   62    69    71    35.00000  109.50000
   62    69    72    35.00000  109.50000
   68    66    67    35.00000  117.00000
   69    62    66    70.00000  124.00000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   56    48    49    35.00000  109.50000
   56    48    54    50.00000  109.50000
   50    46    48    58.35000  112.70000
   50    46    65    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    50.00000  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    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    65   0.01700  1.0 1.0
   24    29    33    65  -0.23550 -1.0 2.0
   24    29    33    65   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   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    65    46   0.44750  1.0 1.0
   29    33    65    46  -0.17800 -1.0 2.0
   29    33    65    46   0.20200  1.0 3.0
   29    33    65    60   0.44750  1.0 1.0
   29    33    65    60  -0.17800 -1.0 2.0
   29    33    65    60   0.20200  1.0 3.0
   29    33    65    74   0.56750  1.0 1.0
   29    33    65    74  -0.07550 -1.0 2.0
   29    33    65    74   0.20000  1.0 3.0
   33    38    40    43   0.07850  1.0 1.0
   33    38    40    43  -0.03950 -1.0 2.0
   33    38    40    43   0.67350  1.0 3.0
   33    38    40    47   0.02550  1.0 1.0
   33    38    40    47  -0.02600 -1.0 2.0
   33    38    40    47   1.20400  1.0 3.0
   33    38   -40    46   0.56750  1.0 1.0
   33    38   -40    46  -0.07550 -1.0 2.0
   33    38   -40    46   0.20000  1.0 3.0
   33    38    41    42  -0.11600  1.0 1.0
   33    38    41    42  -0.09450 -1.0 2.0
   33    38    41    42   0.21250  1.0 3.0
   33    65    74    75  -0.11600  1.0 1.0
   33    65    74    75  -0.09450 -1.0 2.0
   33    65    74    75   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    65    46   0.15000  1.0 3.0
   34    33    65    60   0.15000  1.0 3.0
   34    33    65    74   0.23400  1.0 3.0
   38    33   -65    46   0.56750  1.0 1.0
   38    33   -65    46  -0.07550 -1.0 2.0
   38    33   -65    46   0.20000  1.0 3.0
   38    33    65    60   0.56750  1.0 1.0
   38    33    65    60  -0.07550 -1.0 2.0
   38    33    65    60   0.20000  1.0 3.0
   38    33    65    74   0.86500  1.0 1.0
   38    33    65    74  -0.17500 -1.0 2.0
   38    33    65    74   0.20800  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40    43    45   0.15000  1.0 3.0
   38    40   -43    47   0.02550  1.0 1.0
   38    40   -43    47  -0.02600 -1.0 2.0
   38    40   -43    47   1.20400  1.0 3.0
   38    40   -47    43   0.06250  1.0 1.0
   38    40   -47    43  -0.01100 -1.0 2.0
   38    40   -47    43   0.28050  1.0 3.0
   38    40    46    48   0.56750  1.0 1.0
   38    40    46    48  -0.07550 -1.0 2.0
   38    40    46    48   0.20000  1.0 3.0
   38    40   -46    65   0.56750  1.0 1.0
   38    40   -46    65  -0.07550 -1.0 2.0
   38    40   -46    65   0.20000  1.0 3.0
   38    40    46    50   0.56750  1.0 1.0
   38    40    46    50  -0.07550 -1.0 2.0
   38    40    46    50   0.20000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    47   0.23400  1.0 3.0
   39    38    40    46   0.15000  1.0 3.0
   39    38    41    42   0.19450  1.0 3.0
   40    38    41    42  -0.11600  1.0 1.0
   40    38    41    42  -0.09450 -1.0 2.0
   40    38    41    42   0.21250  1.0 3.0
   40    46    48    49   0.15000  1.0 3.0
   40    46    48    54   0.47050  1.0 1.0
   40    46    48    54   0.03900 -1.0 2.0
   40    46    48    54   0.20100  1.0 3.0
   40    46    48    56   0.86500  1.0 1.0
   40    46    48    56  -0.17500 -1.0 2.0
   40    46    48    56   0.20800  1.0 3.0
   40    46   -65    33   0.47050  1.0 1.0
   40    46   -65    33   0.03900 -1.0 2.0
   40    46   -65    33   0.20100  1.0 3.0
   40    46    65    60   0.47050  1.0 1.0
   40    46    65    60   0.03900 -1.0 2.0
   40    46    65    60   0.20100  1.0 3.0
   40    46    65    74   0.86500  1.0 1.0
   40    46    65    74  -0.17500 -1.0 2.0
   40    46    65    74   0.20800  1.0 3.0
   40    46    50    51   0.15000  1.0 3.0
   40    46    50    52   0.15000  1.0 3.0
   40    46    50    53   0.15000  1.0 3.0
   43    40    46    48   0.07850  1.0 1.0
   43    40    46    48  -0.03950 -1.0 2.0
   43    40    46    48   0.67350  1.0 3.0
   43    40    46    65   0.07850  1.0 1.0
   43    40    46    65  -0.03950 -1.0 2.0
   43    40    46    65   0.67350  1.0 3.0
   43    40    46    50   0.07850  1.0 1.0
   43    40    46    50  -0.03950 -1.0 2.0
   43    40    46    50   0.67350  1.0 3.0
   44    43   -47    40   0.36800  1.0 3.0
   45    43   -47    40   0.36800  1.0 3.0
   47    40   -43    44   0.23400  1.0 3.0
   47    40   -43    45   0.23400  1.0 3.0
   47    40    46    48   0.02550  1.0 1.0
   47    40    46    48  -0.02600 -1.0 2.0
   47    40    46    48   1.20400  1.0 3.0
   47    40    46    65   0.02550  1.0 1.0
   47    40    46    65  -0.02600 -1.0 2.0
   47    40    46    65   1.20400  1.0 3.0
   47    40    46    50   0.02550  1.0 1.0
   47    40    46    50  -0.02600 -1.0 2.0
   47    40    46    50   1.20400  1.0 3.0
   46    40    43    44   0.15000  1.0 3.0
   46    40    43    45   0.15000  1.0 3.0
   46    40   -43    47   0.02550  1.0 1.0
   46    40   -43    47  -0.02600 -1.0 2.0
   46    40   -43    47   1.20400  1.0 3.0
   46    40   -47    43   0.06250  1.0 1.0
   46    40   -47    43  -0.01100 -1.0 2.0
   46    40   -47    43   0.28050  1.0 3.0
   46    48    54    55   0.15000  1.0 3.0
   46    48    54    58   0.56750  1.0 1.0
   46    48    54    58  -0.07550 -1.0 2.0
   46    48    54    58   0.20000  1.0 3.0
   46    48    54    73   0.62750  1.0 1.0
   46    48    54    73  -0.30950 -1.0 2.0
   46    48    54    73   0.27300  1.0 3.0
   46    48    56    57  -0.11600  1.0 1.0
   46    48    56    57  -0.09450 -1.0 2.0
   46    48    56    57   0.21250  1.0 3.0
   46    65    74    75  -0.11600  1.0 1.0
   46    65    74    75  -0.09450 -1.0 2.0
   46    65    74    75   0.21250  1.0 3.0
   48    46    65    33   0.56750  1.0 1.0
   48    46    65    33  -0.07550 -1.0 2.0
   48    46    65    33   0.20000  1.0 3.0
   48    46    65    60   0.56750  1.0 1.0
   48    46    65    60  -0.07550 -1.0 2.0
   48    46    65    60   0.20000  1.0 3.0
   48    46    65    74   0.86500  1.0 1.0
   48    46    65    74  -0.17500 -1.0 2.0
   48    46    65    74   0.20800  1.0 3.0
   48    46    50    51   0.15000  1.0 3.0
   48    46    50    52   0.15000  1.0 3.0
   48    46    50    53   0.15000  1.0 3.0
   48    54    58    59   0.15000  1.0 3.0
   48    54   -58    60   0.56750  1.0 1.0
   48    54   -58    60  -0.07550 -1.0 2.0
   48    54   -58    60   0.20000  1.0 3.0
   48    54    58    62   0.34400  1.0 1.0
   48    54    58    62   0.09450 -1.0 2.0
   48    54    58    62   0.11100  1.0 3.0
   48    54    73    63  -0.25900  1.0 1.0
   48    54    73    63  -0.47000 -1.0 2.0
   48    54    73    63   0.11750  1.0 3.0
   49    48    54    55   0.15000  1.0 3.0
   49    48    54    58   0.15000  1.0 3.0
   49    48    54    73   0.23400  1.0 3.0
   49    48    56    57   0.19450  1.0 3.0
   54    48    56    57  -0.11600  1.0 1.0
   54    48    56    57  -0.09450 -1.0 2.0
   54    48    56    57   0.21250  1.0 3.0
   54    58    60    61   0.15000  1.0 3.0
   54    58   -60    63  -0.95700  1.0 1.0
   54    58   -60    63  -0.18200 -1.0 2.0
   54    58   -60    63   0.29450  1.0 3.0
   54    58    60    65   0.56750  1.0 1.0
   54    58    60    65  -0.07550 -1.0 2.0
   54    58    60    65   0.20000  1.0 3.0
   54    58    62    66   0.09850  1.0 1.0
   54    58    62    66   0.15250 -1.0 2.0
   54    58    62    66  -0.50650  1.0 3.0
   54    58    62    69   0.46850  1.0 1.0
   54    58    62    69   0.08550 -1.0 2.0
   54    58    62    69   0.09800  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    60   0.15000  1.0 3.0
   55    54    58    62   0.15000  1.0 3.0
   55    54    73    63   0.08050  1.0 3.0
   58    54   -73    63  -0.25900  1.0 1.0
   58    54   -73    63  -0.47000 -1.0 2.0
   58    54   -73    63   0.11750  1.0 3.0
   58    60    63    64   0.30150 -1.0 2.0
   58    60   -63    73   0.36750  1.0 3.0
   58    60    65    33   0.56750  1.0 1.0
   58    60    65    33  -0.07550 -1.0 2.0
   58    60    65    33   0.20000  1.0 3.0
   58    60   -65    46   0.56750  1.0 1.0
   58    60   -65    46  -0.07550 -1.0 2.0
   58    60   -65    46   0.20000  1.0 3.0
   58    60    65    74   0.86500  1.0 1.0
   58    60    65    74  -0.17500 -1.0 2.0
   58    60    65    74   0.20800  1.0 3.0
   58    62    66    67   7.00000 -1.0 2.0
   58    62    66    68   7.00000 -1.0 2.0
   58    62    69    70   0.34800  1.0 3.0
   58    62    69    71   0.34800  1.0 3.0
   58    62    69    72   0.34800  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    63  -0.11250  1.0 3.0
   59    58    60    65   0.15000  1.0 3.0
   59    58    62    66   0.00000  1.0 1.0
   59    58    62    69   0.34800  1.0 3.0
   60    58    62    66   0.09850  1.0 1.0
   60    58    62    66   0.15250 -1.0 2.0
   60    58    62    66  -0.50650  1.0 3.0
   60    58    62    69   0.46850  1.0 1.0
   60    58    62    69   0.08550 -1.0 2.0
   60    58    62    69   0.09800  1.0 3.0
   60    63   -73    54   1.63150  1.0 1.0
   60    63   -73    54   2.92000 -1.0 2.0
   60    65    74    75  -0.11600  1.0 1.0
   60    65    74    75  -0.09450 -1.0 2.0
   60    65    74    75   0.21250  1.0 3.0
   61    60    63    64   0.00000  1.0 1.0
   61    60    63    73   0.00000  1.0 1.0
   61    60    65    33   0.15000  1.0 3.0
   61    60    65    46   0.15000  1.0 3.0
   61    60    65    74   0.23400  1.0 3.0
   63    60    65    33  -0.95700  1.0 1.0
   63    60    65    33  -0.18200 -1.0 2.0
   63    60    65    33   0.29450  1.0 3.0
   63    60    65    46  -0.95700  1.0 1.0
   63    60    65    46  -0.18200 -1.0 2.0
   63    60    65    46   0.29450  1.0 3.0
   63    60    65    74  -0.09450  1.0 1.0
   63    60    65    74  -1.12950 -1.0 2.0
   63    60    65    74   0.54000  1.0 3.0
   64    63    73    54   3.00000 -1.0 2.0
   73    54    58    59   0.23400  1.0 3.0
   73    54   -58    60   0.62750  1.0 1.0
   73    54   -58    60  -0.30950 -1.0 2.0
   73    54   -58    60   0.27300  1.0 3.0
   73    54    58    62   0.61850  1.0 1.0
   73    54    58    62  -0.22750 -1.0 2.0
   73    54    58    62   0.15300  1.0 3.0
   65    33    38    39   0.15000  1.0 3.0
   65    33   -38    40   0.47050  1.0 1.0
   65    33   -38    40   0.03900 -1.0 2.0
   65    33   -38    40   0.20100  1.0 3.0
   65    33    38    41   0.86500  1.0 1.0
   65    33    38    41  -0.17500 -1.0 2.0
   65    33    38    41   0.20800  1.0 3.0
   65    46    48    49   0.15000  1.0 3.0
   65    46   -48    54   0.56750  1.0 1.0
   65    46   -48    54  -0.07550 -1.0 2.0
   65    46   -48    54   0.20000  1.0 3.0
   65    46    48    56   0.86500  1.0 1.0
   65    46    48    56  -0.17500 -1.0 2.0
   65    46    48    56   0.20800  1.0 3.0
   65    46    50    51   0.15000  1.0 3.0
   65    46    50    52   0.15000  1.0 3.0
   65    46    50    53   0.15000  1.0 3.0
   65    60    63    64   0.30150 -1.0 2.0
   65    60    63    73   0.36750  1.0 3.0
   62    58    60    61   0.15000  1.0 3.0
   62    58    60    63  -0.98800  1.0 1.0
   62    58    60    63   0.48800 -1.0 2.0
   62    58    60    63   0.76800  1.0 3.0
   62    58    60    65   0.34400  1.0 1.0
   62    58    60    65   0.09450 -1.0 2.0
   62    58    60    65   0.11100  1.0 3.0
   66    62    69    70   0.00000  1.0 1.0
   66    62    69    71   0.00000  1.0 1.0
   66    62    69    72   0.00000  1.0 1.0
   69    62    66    67   7.00000 -1.0 2.0
   69    62    66    68   7.00000 -1.0 2.0
   56    48    54    55   0.23400  1.0 3.0
   56    48    54    58   0.86500  1.0 1.0
   56    48    54    58  -0.17500 -1.0 2.0
   56    48    54    58   0.20800  1.0 3.0
   56    48    54    73   3.69350  1.0 1.0
   56    48    54    73  -1.82950 -1.0 2.0
   50    46    48    49   0.15000  1.0 3.0
   50    46    48    54   0.56750  1.0 1.0
   50    46    48    54  -0.07550 -1.0 2.0
   50    46    48    54   0.20000  1.0 3.0
   50    46    48    56   0.86500  1.0 1.0
   50    46    48    56  -0.17500 -1.0 2.0
   50    46    48    56   0.20800  1.0 3.0
   50    46    65    33   0.56750  1.0 1.0
   50    46    65    33  -0.07550 -1.0 2.0
   50    46    65    33   0.20000  1.0 3.0
   50    46    65    60   0.56750  1.0 1.0
   50    46    65    60  -0.07550 -1.0 2.0
   50    46    65    60   0.20000  1.0 3.0
   50    46    65    74   0.86500  1.0 1.0
   50    46    65    74  -0.17500 -1.0 2.0
   50    46    65    74   0.20800  1.0 3.0
   41    38    40    43   0.86500  1.0 1.0
   41    38    40    43  -0.17500 -1.0 2.0
   41    38    40    43   0.20800  1.0 3.0
   41    38    40    47   3.69350  1.0 1.0
   41    38    40    47  -1.82950 -1.0 2.0
   41    38    40    46   0.86500  1.0 1.0
   41    38    40    46  -0.17500 -1.0 2.0
   41    38    40    46   0.20800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   60    73    63    64  10.50000 -1.0 2.0
   58    69    62    66  15.00000 -1.0 2.0
   67    68    66    62  15.00000 -1.0 2.0
END
