* LIGAND DATABASE FILE (OPLS2005)
*
001      74    77    146    240     432
    1     0 S   NP   _N1_     1    28.11522    96.11384   -23.69572
    2     1 S   H    _HN1     2     1.02958    78.41806     0.87670
    3     1 S   H    _H1_     3     1.02835    30.38246   161.16594
    4     1 S   H    _H2_     4     1.02777   108.47969  -104.79387
    5     1 S   CT   _CA1     5     1.50127   132.14609   107.98446
    6     5 S   HC   _HA1     6     1.09575   105.22050    84.82672
    7     5 S   CO3  _C1_     7     1.53789   112.36106   -35.37496
    8     7 S   O2Z  _O11     8     1.26366   114.99813   -44.03590
    9     7 S   O2Z  _O12     9     1.26236   114.93240   135.07550
   10     5 S   CT   _CB1    10     1.53096   107.42318  -157.26025
   11    10 S   HC   HB11    11     1.09827   109.34184   -50.53076
   12    10 S   HC   HB12    12     1.09817   110.42329    66.02706
   13    10 S   CT   _CG1    13     1.53016   112.66426  -171.60277
   14    13 S   HC   HG11    14     1.09595   110.48659   -64.17400
   15    13 S   HC   HG12    15     1.09656   109.92344    55.02551
   16    13 S   C    _CD1    16     1.51841   112.32076   175.40036
   17    16 S   O    _OE1    17     1.22749   123.28168     0.06561
   18    16 S   N    _N2_    18     1.38567   111.69817  -180.00000
   19    18 S   H    _HN2    19     1.01560   118.97403     4.84031
   20    18 S   CT1  _CA2    20     1.45808   122.90875   177.76323
   21    20 S   HC   _HA2    21     1.09744   108.96096    21.90812
   22    20 S   C    _C2_    22     1.52889   107.18058   -94.96134
   23    22 S   O    _O2_    23     1.22965   123.06715   -26.35419
   24    20 S   CT   _CB2    32     1.53110   112.18461   144.97174
   25    24 S   HC   HB21    33     1.09599   110.61298    52.14467
   26    24 S   HC   HB22    34     1.09369   110.01497   170.84530
   27    22 S   N    _N3_    24     1.38516   112.48641   156.29150
   28    27 S   H    _HN3    25     1.01673   120.31397    -1.34479
   29    24 S   S    _SG2    35     1.82676   110.90570   -68.20000
   30    27 S   CT   _CA3    26     1.45340   122.53345   178.73205
   31    30 S   HC   HA31    27     1.09564   107.72421   -58.11798
   32    30 S   HC   HA32    28     1.09565   107.68709    58.20971
   33    29 S   CT   _C13    36     1.82156    99.31838  -170.02695
   34    33 S   HC   _H3_    37     1.09839   104.53185   -47.34327
   35    30 S   CO3  _C3_    29     1.52905   114.31940  -179.89532
   36    35 S   O2Z  _O31    30     1.26341   116.07118     1.73675
   37    35 S   O2Z  _O32    31     1.26446   114.40420  -178.29337
   38    33 S   C3T  _C12    38     1.50422   108.69212  -161.26752
   39    38 S   HC   _H31    39     1.07824   119.52884    -9.71723
   40    38 S   C3T  _C15    40     1.48905   109.23368  -153.78877
   41    40 S   CT   _C10    41     1.52165   108.39296     0.36744
   42    41 S   HC   _H29    42     1.10188   105.64308   -92.25611
   43    38 S   O3T  _O18    70     1.43130   114.17122   142.44007
   44    40 S   CT   _C17    71     1.48904   120.87844   153.00883
   45    44 S   HC   _H33    72     1.09605   111.40682    34.14010
   46    44 S   HC   _H34    73     1.09335   111.28880   -85.26775
   47    44 S   HC   _H35    74     1.09389   110.98207   153.47703
   48    41 S   CT   _C11    43     1.53046   113.86145   152.45371
   49    48 S   HC   _H30    44     1.09507   111.29078   -39.01795
   50    33 S   CT   _C14    61     1.59053   122.78097    76.62316
   51    48 S   CT   _C9_    45     1.51881   115.58981  -166.33266
   52    51 S   HC   _H28    46     1.09710   111.29691   -35.29934
   53    50 S   OH   _O19    62     1.44476   106.24796   -91.66302
   54    53 S   HO   _H39    63     0.97205   109.04795   -53.50869
   55    51 S   CM   _C4_    47     1.49523    99.87083  -148.45567
   56    51 S   CT   _C7_    54     1.52421   111.34973    89.03529
   57    56 S   HC   _H24    55     1.09734   109.53878   164.57175
   58    56 S   HC   _H25    56     1.09737   110.82820    48.43623
   59    55 S   CO4  _C5_    48     1.47647   108.51186    24.36183
   60    59 S   O    _O16    49     1.21708   127.31565   168.83179
   61    55 S   CM   _C6_    51     1.33616   130.43846  -154.63166
   62    61 S   HC   _H22    52     1.08417   121.47694    -1.10056
   63    61 S   HC   _H23    53     1.08555   121.59491   179.38706
   64    56 S   CT   _C8_    57     1.52201   113.98027   -76.00237
   65    64 S   HC   _H26    58     1.10036   106.74263  -177.97619
   66    64 S   HC   _H27    59     1.09896   108.54501   -67.10222
   67    48 S   OS   _O17    50     1.44793   107.78571    76.40789
   68    64 S   CT   _C16    60     1.55142   119.46917    58.92774
   69    68 S   CT   _C18    64     1.53255   111.43699    63.11181
   70    69 S   HC   _H36    65     1.09416   111.48516   172.37877
   71    69 S   HC   _H37    66     1.09690   110.59853    55.20857
   72    69 S   HC   _H38    67     1.08929   113.19507   -65.10688
   73    68 S   OH   _O20    68     1.44497   102.20709   175.80278
   74    73 S   HO   _H40    69     0.97242   108.82633   -62.30556
  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   8   2   1   1  13   5  14  21   9   6   5   2   1   1  15
   7  15  15   8   5   1  10  11   5   4   5   2   3   1   1   9
   4   3   1   6   5   3   2   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    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    68    50    53    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    48    64    68    50    53    54    69    73    43    44  
   38    39    40    41    68    50    53    43  
   36    37  
   37  
    0  
   39    40    41    42    48    68    50    53    43    44    45    46    47  
   40    41    50    43    44  
   41    42    48    49    51    67    68    50    53    43    44    45    46    47  
   42    48    49    51    52    55    59    67    56    64    68    50    53    54    69    73    43    44    45    46    47  
   48    49    51    67    68    50    53    43    44  
   44    45    46    47    48    50  
   45    46    47    48    50  
   46    47  
   47  
    0  
   49    51    52    55    59    60    67    61    56    57    58    64    68    50    53  
   51    52    55    59    67    56    50  
   53    54    69    70    71    72    73    74    51    56    64    65    66    67    68  
   52    55    59    60    67    61    62    63    56    57    58    64    65    66    68  
   55    59    67    61    56    57    58    64  
   54    69    73    64    68  
   68  
   59    60    67    61    62    63    56    57    58    64  
   57    58    64    65    66    68    69    73    59    61    67  
   58    64    65    66    68  
   64    65    66    68  
   60    67    61    62    63  
   67    61  
   62    63    67  
   63  
    0  
   65    66    68    69    70    71    72    73    74  
   66    68    69    73  
   68    69    73  
    0  
   69    70    71    72    73    74  
   70    71    72    73    74  
   71    72    73  
   72    73  
   73  
   74  
    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   0.116200   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   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   275.000  1.510
   33    50   268.000  1.529
   38    39   340.000  1.088
   38    40   260.000  1.509
   38    43   335.000  1.432
   40    41   275.000  1.510
   40    43   335.000  1.432
   40    44   275.000  1.510
   41    42   340.000  1.090
   41    48   268.000  1.529
   41    50   268.000  1.529
   48    49   340.000  1.090
   48    51   268.000  1.529
   48    67   320.000  1.410
   51    52   340.000  1.090
   51    55   317.000  1.510
   51    56   268.000  1.529
   55    59   320.000  1.462
   55    61   549.000  1.340
   59    60   570.000  1.229
   59    67   214.000  1.327
   61    62   340.000  1.080
   61    63   340.000  1.080
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    68   268.000  1.529
   68    50   268.000  1.529
   68    69   268.000  1.529
   68    73   320.000  1.410
   50    53   320.000  1.410
   53    54   553.000  0.945
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   73    74   553.000  0.945
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
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    50    75.00000  111.63000
   33    38    39    40.00000  115.04500
   33    38    40    60.00000  120.94000
   33    38    43    80.00000  116.47100
   33    50    41    58.35000  112.70000
   33    50    68    58.35000  112.70000
   33    50    53    50.00000  109.50000
   38    33    34    45.00000  109.38400
   38    40    41    60.00000  120.94000
   38    40    43    15.00000   60.43100
   38    40    44    60.00000  120.94000
   38    43    40    15.00000   59.14900
   40    38    39    37.50000  117.20000
   40    41    42    45.00000  109.38400
   40    41    48    70.00000  112.37300
   40    41    50    70.00000  112.37300
   40    44    45    45.00000  109.38400
   40    44    46    45.00000  109.38400
   40    44    47    45.00000  109.38400
   41    48    49    37.50000  110.70000
   41    48    51    58.35000  112.70000
   41    48    67    50.00000  109.50000
   41    50    68    58.35000  112.70000
   41    50    53    50.00000  109.50000
   48    41    42    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    55    70.00000  112.02700
   48    51    56    58.35000  112.70000
   48    67    59    83.00000  116.90000
   51    48    49    37.50000  110.70000
   51    55    59    65.00000  116.34900
   51    55    61    70.00000  124.00000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    64    58.35000  112.70000
   55    51    52    35.00000  109.50000
   55    59    60    80.00000  123.72100
   55    59    67    90.00000  111.29400
   55    61    62    35.00000  120.00000
   55    61    63    35.00000  120.00000
   67    48    49    35.00000  109.50000
   67    48    51    50.00000  109.50000
   67    59    60    83.00000  123.40000
   61    55    59    65.00000  118.96000
   63    61    62    35.00000  117.00000
   56    51    52    37.50000  110.70000
   56    51    55    70.00000  112.02700
   56    64    65    37.50000  110.70000
   56    64    66    37.50000  110.70000
   56    64    68    58.35000  112.70000
   58    56    57    33.00000  107.80000
   64    56    57    37.50000  110.70000
   64    56    58    37.50000  110.70000
   64    68    50    58.35000  112.70000
   64    68    69    58.35000  112.70000
   64    68    73    50.00000  109.50000
   66    64    65    33.00000  107.80000
   68    64    65    37.50000  110.70000
   68    64    66    37.50000  110.70000
   68    50    53    50.00000  109.50000
   68    69    70    37.50000  110.70000
   68    69    71    37.50000  110.70000
   68    69    72    37.50000  110.70000
   68    73    74    55.00000  108.50000
   50    33    34    37.50000  110.70000
   50    33    38    70.00000  112.37300
   50    41    42    37.50000  110.70000
   50    41    48    58.35000  112.70000
   50    53    54    55.00000  108.50000
   69    68    50    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   73    68    50    50.00000  109.50000
   73    68    69    50.00000  109.50000
   43    38    39    50.00000  114.27700
   43    38    40    15.00000   60.43100
   43    40    41    80.00000  116.47100
   44    40    41    58.35000  112.70000
   44    40    43    80.00000  116.47100
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    50    41   0.44750  1.0 1.0
   29    33    50    41  -0.17800 -1.0 2.0
   29    33    50    41   0.20200  1.0 3.0
   29    33    50    68   0.44750  1.0 1.0
   29    33    50    68  -0.17800 -1.0 2.0
   29    33    50    68   0.20200  1.0 3.0
   29    33    50    53   0.56750  1.0 1.0
   29    33    50    53  -0.07550 -1.0 2.0
   29    33    50    53   0.20000  1.0 3.0
   33    38   -40    41   0.56750  1.0 1.0
   33    38   -40    41  -0.07550 -1.0 2.0
   33    38   -40    41   0.20000  1.0 3.0
   33    38   -40    43   0.02550  1.0 1.0
   33    38   -40    43  -0.02600 -1.0 2.0
   33    38   -40    43   1.20400  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38   -43    40   0.06250  1.0 1.0
   33    38   -43    40  -0.01100 -1.0 2.0
   33    38   -43    40   0.28050  1.0 3.0
   33    50    53    54  -0.11600  1.0 1.0
   33    50    53    54  -0.09450 -1.0 2.0
   33    50    53    54   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    43   0.23400  1.0 3.0
   34    33    50    41   0.15000  1.0 3.0
   34    33    50    68   0.15000  1.0 3.0
   34    33    50    53   0.23400  1.0 3.0
   38    33   -50    41   0.47050  1.0 1.0
   38    33   -50    41   0.03900 -1.0 2.0
   38    33   -50    41   0.20100  1.0 3.0
   38    33    50    68   0.47050  1.0 1.0
   38    33    50    68   0.03900 -1.0 2.0
   38    33    50    68   0.20100  1.0 3.0
   38    33    50    53   0.86500  1.0 1.0
   38    33    50    53  -0.17500 -1.0 2.0
   38    33    50    53   0.20800  1.0 3.0
   38    40    41    42   0.15000  1.0 3.0
   38    40    41    48   0.07850  1.0 1.0
   38    40    41    48  -0.03950 -1.0 2.0
   38    40    41    48   0.67350  1.0 3.0
   38    40   -41    50   0.07850  1.0 1.0
   38    40   -41    50  -0.03950 -1.0 2.0
   38    40   -41    50   0.67350  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40    44    46   0.15000  1.0 3.0
   38    40    44    47   0.15000  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38   -40    43   0.23400  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38   -43    40   0.36800  1.0 3.0
   40    41    48    49   0.15000  1.0 3.0
   40    41    48    51   0.47050  1.0 1.0
   40    41    48    51   0.03900 -1.0 2.0
   40    41    48    51   0.20100  1.0 3.0
   40    41    48    67  -0.26800  1.0 1.0
   40    41    48    67   0.69150 -1.0 2.0
   40    41    48    67  -0.48750  1.0 3.0
   40    41   -50    33   0.47050  1.0 1.0
   40    41   -50    33   0.03900 -1.0 2.0
   40    41   -50    33   0.20100  1.0 3.0
   40    41    50    68   0.47050  1.0 1.0
   40    41    50    68   0.03900 -1.0 2.0
   40    41    50    68   0.20100  1.0 3.0
   40    41    50    53   0.86500  1.0 1.0
   40    41    50    53  -0.17500 -1.0 2.0
   40    41    50    53   0.20800  1.0 3.0
   41    40   -43    38   0.06250  1.0 1.0
   41    40   -43    38  -0.01100 -1.0 2.0
   41    40   -43    38   0.28050  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   41    48    51    52   0.15000  1.0 3.0
   41    48    51    55   0.34400  1.0 1.0
   41    48    51    55   0.09450 -1.0 2.0
   41    48    51    55   0.11100  1.0 3.0
   41    48    51    56   0.56750  1.0 1.0
   41    48    51    56  -0.07550 -1.0 2.0
   41    48    51    56   0.20000  1.0 3.0
   41    48    67    59  -0.25900  1.0 1.0
   41    48    67    59  -0.47000 -1.0 2.0
   41    48    67    59   0.11750  1.0 3.0
   41    50    53    54  -0.11600  1.0 1.0
   41    50    53    54  -0.09450 -1.0 2.0
   41    50    53    54   0.21250  1.0 3.0
   42    41    48    49   0.15000  1.0 3.0
   42    41    48    51   0.15000  1.0 3.0
   42    41    48    67   0.23400  1.0 3.0
   42    41    50    33   0.15000  1.0 3.0
   42    41    50    68   0.15000  1.0 3.0
   42    41    50    53   0.23400  1.0 3.0
   48    41    50    33   0.56750  1.0 1.0
   48    41    50    33  -0.07550 -1.0 2.0
   48    41    50    33   0.20000  1.0 3.0
   48    41    50    68   0.56750  1.0 1.0
   48    41    50    68  -0.07550 -1.0 2.0
   48    41    50    68   0.20000  1.0 3.0
   48    41    50    53   0.86500  1.0 1.0
   48    41    50    53  -0.17500 -1.0 2.0
   48    41    50    53   0.20800  1.0 3.0
   48    51   -55    59   0.09700  1.0 1.0
   48    51   -55    59   0.15600 -1.0 2.0
   48    51   -55    59  -0.50800  1.0 3.0
   48    51    55    61   0.09850  1.0 1.0
   48    51    55    61   0.15250 -1.0 2.0
   48    51    55    61  -0.50650  1.0 3.0
   48    51    56    57   0.15000  1.0 3.0
   48    51    56    58   0.15000  1.0 3.0
   48    51    56    64   0.56750  1.0 1.0
   48    51    56    64  -0.07550 -1.0 2.0
   48    51    56    64   0.20000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    55   0.15000  1.0 3.0
   49    48    51    56   0.15000  1.0 3.0
   49    48    67    59   0.08050  1.0 3.0
   51    48   -67    59  -0.25900  1.0 1.0
   51    48   -67    59  -0.47000 -1.0 2.0
   51    48   -67    59   0.11750  1.0 3.0
   51    55    59    60  -0.64400  1.0 1.0
   51    55    59    60   0.26850 -1.0 2.0
   51    55   -59    67  -0.15000  1.0 1.0
   51    55   -59    67   0.89550 -1.0 2.0
   51    55   -59    67  -0.06900  1.0 3.0
   51    55    61    62   7.00000 -1.0 2.0
   51    55    61    63   7.00000 -1.0 2.0
   51    56    64    65   0.15000  1.0 3.0
   51    56    64    66   0.15000  1.0 3.0
   51    56    64    68   0.56750  1.0 1.0
   51    56    64    68  -0.07550 -1.0 2.0
   51    56    64    68   0.20000  1.0 3.0
   52    51    55    59   0.15000  1.0 3.0
   52    51    55    61   0.00000  1.0 1.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    64   0.15000  1.0 3.0
   55    51    56    57   0.15000  1.0 3.0
   55    51    56    58   0.15000  1.0 3.0
   55    51    56    64   0.34400  1.0 1.0
   55    51    56    64   0.09450 -1.0 2.0
   55    51    56    64   0.11100  1.0 3.0
   55    59   -67    48   2.00000 -1.0 2.0
   59    55    61    62   7.00000 -1.0 2.0
   59    55    61    63   7.00000 -1.0 2.0
   60    59    67    48   3.00000 -1.0 2.0
   67    48    51    52   0.23400  1.0 3.0
   67    48   -51    55   0.61850  1.0 1.0
   67    48   -51    55  -0.22750 -1.0 2.0
   67    48   -51    55   0.15300  1.0 3.0
   67    48    51    56   0.62750  1.0 1.0
   67    48    51    56  -0.30950 -1.0 2.0
   67    48    51    56   0.27300  1.0 3.0
   61    55    59    60   1.00000 -1.0 2.0
   61    55    59    67  -0.56150  1.0 1.0
   61    55    59    67   2.19150 -1.0 2.0
   56    51    55    59   0.09700  1.0 1.0
   56    51    55    59   0.15600 -1.0 2.0
   56    51    55    59  -0.50800  1.0 3.0
   56    51    55    61   0.09850  1.0 1.0
   56    51    55    61   0.15250 -1.0 2.0
   56    51    55    61  -0.50650  1.0 3.0
   56    64    68    50   0.56750  1.0 1.0
   56    64    68    50  -0.07550 -1.0 2.0
   56    64    68    50   0.20000  1.0 3.0
   56    64    68    69   0.56750  1.0 1.0
   56    64    68    69  -0.07550 -1.0 2.0
   56    64    68    69   0.20000  1.0 3.0
   56    64    68    73   0.86500  1.0 1.0
   56    64    68    73  -0.17500 -1.0 2.0
   56    64    68    73   0.20800  1.0 3.0
   57    56    64    65   0.15000  1.0 3.0
   57    56    64    66   0.15000  1.0 3.0
   57    56    64    68   0.15000  1.0 3.0
   58    56    64    65   0.15000  1.0 3.0
   58    56    64    66   0.15000  1.0 3.0
   58    56    64    68   0.15000  1.0 3.0
   64    68    50    33   0.56750  1.0 1.0
   64    68    50    33  -0.07550 -1.0 2.0
   64    68    50    33   0.20000  1.0 3.0
   64    68    50    41   0.56750  1.0 1.0
   64    68    50    41  -0.07550 -1.0 2.0
   64    68    50    41   0.20000  1.0 3.0
   64    68    50    53   0.86500  1.0 1.0
   64    68    50    53  -0.17500 -1.0 2.0
   64    68    50    53   0.20800  1.0 3.0
   64    68    69    70   0.15000  1.0 3.0
   64    68    69    71   0.15000  1.0 3.0
   64    68    69    72   0.15000  1.0 3.0
   64    68    73    74  -0.11600  1.0 1.0
   64    68    73    74  -0.09450 -1.0 2.0
   64    68    73    74   0.21250  1.0 3.0
   65    64    68    50   0.15000  1.0 3.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    73   0.23400  1.0 3.0
   66    64    68    50   0.15000  1.0 3.0
   66    64    68    69   0.15000  1.0 3.0
   66    64    68    73   0.23400  1.0 3.0
   68    50    53    54  -0.11600  1.0 1.0
   68    50    53    54  -0.09450 -1.0 2.0
   68    50    53    54   0.21250  1.0 3.0
   50    33    38    39   0.15000  1.0 3.0
   50    33   -38    40   0.07850  1.0 1.0
   50    33   -38    40  -0.03950 -1.0 2.0
   50    33   -38    40   0.67350  1.0 3.0
   50    33    38    43   0.02550  1.0 1.0
   50    33    38    43  -0.02600 -1.0 2.0
   50    33    38    43   1.20400  1.0 3.0
   50    41    48    49   0.15000  1.0 3.0
   50    41    48    51   0.56750  1.0 1.0
   50    41    48    51  -0.07550 -1.0 2.0
   50    41    48    51   0.20000  1.0 3.0
   50    41    48    67   0.62750  1.0 1.0
   50    41    48    67  -0.30950 -1.0 2.0
   50    41    48    67   0.27300  1.0 3.0
   50    68    69    70   0.15000  1.0 3.0
   50    68    69    71   0.15000  1.0 3.0
   50    68    69    72   0.15000  1.0 3.0
   50    68    73    74  -0.11600  1.0 1.0
   50    68    73    74  -0.09450 -1.0 2.0
   50    68    73    74   0.21250  1.0 3.0
   69    68    50    33   0.56750  1.0 1.0
   69    68    50    33  -0.07550 -1.0 2.0
   69    68    50    33   0.20000  1.0 3.0
   69    68    50    41   0.56750  1.0 1.0
   69    68    50    41  -0.07550 -1.0 2.0
   69    68    50    41   0.20000  1.0 3.0
   69    68    50    53   0.86500  1.0 1.0
   69    68    50    53  -0.17500 -1.0 2.0
   69    68    50    53   0.20800  1.0 3.0
   69    68    73    74  -0.11600  1.0 1.0
   69    68    73    74  -0.09450 -1.0 2.0
   69    68    73    74   0.21250  1.0 3.0
   73    68    50    33   0.86500  1.0 1.0
   73    68    50    33  -0.17500 -1.0 2.0
   73    68    50    33   0.20800  1.0 3.0
   73    68    50    41   0.86500  1.0 1.0
   73    68    50    41  -0.17500 -1.0 2.0
   73    68    50    41   0.20800  1.0 3.0
   73    68    50    53   3.75450  1.0 1.0
   73    68    69    70   0.23400  1.0 3.0
   73    68    69    71   0.23400  1.0 3.0
   73    68    69    72   0.23400  1.0 3.0
   43    38   -40    41   0.02550  1.0 1.0
   43    38   -40    41  -0.02600 -1.0 2.0
   43    38   -40    41   1.20400  1.0 3.0
   43    38   -40    44   0.02550  1.0 1.0
   43    38   -40    44  -0.02600 -1.0 2.0
   43    38   -40    44   1.20400  1.0 3.0
   43    40    41    42   0.23400  1.0 3.0
   43    40    41    48   0.02550  1.0 1.0
   43    40    41    48  -0.02600 -1.0 2.0
   43    40    41    48   1.20400  1.0 3.0
   43    40   -41    50   0.02550  1.0 1.0
   43    40   -41    50  -0.02600 -1.0 2.0
   43    40   -41    50   1.20400  1.0 3.0
   43    40    44    45   0.23400  1.0 3.0
   43    40    44    46   0.23400  1.0 3.0
   43    40    44    47   0.23400  1.0 3.0
   44    40    41    42   0.15000  1.0 3.0
   44    40    41    48   0.56750  1.0 1.0
   44    40    41    48  -0.07550 -1.0 2.0
   44    40    41    48   0.20000  1.0 3.0
   44    40    41    50   0.56750  1.0 1.0
   44    40    41    50  -0.07550 -1.0 2.0
   44    40    41    50   0.20000  1.0 3.0
   44    40   -43    38   0.06250  1.0 1.0
   44    40   -43    38  -0.01100 -1.0 2.0
   44    40   -43    38   0.28050  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
   51    59    55    61   1.10000 -1.0 2.0
   55    67    59    60  10.50000 -1.0 2.0
   62    63    61    55   1.10000 -1.0 2.0
END
