* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    136    197     387
    1     0 S   NP   _N1_     1    28.63662    94.45040   -19.69721
    2     1 S   H    _HN1     2     1.02847    38.02761   137.57040
    3     1 S   H    _H1_     3     1.02794    83.14879   -91.62898
    4     1 S   H    _H2_     4     1.02945    88.67728    16.91258
    5     1 S   CT   _CA1     5     1.50035   148.57298   146.40806
    6     5 S   HC   _HA1     6     1.09575   105.35017    54.01541
    7     5 S   CO3  _C1_     7     1.53803   111.98466   -66.31240
    8     7 S   O2Z  _O11     8     1.26330   114.96607   -56.30465
    9     7 S   O2Z  _O12     9     1.26217   114.90926   122.82191
   10     5 S   CT   _CB1    10     1.53109   107.46841   171.90083
   11    10 S   HC   HB11    11     1.09824   109.66468   -50.94690
   12    10 S   HC   HB12    12     1.09808   110.43577    65.68157
   13    10 S   CT   _CG1    13     1.52946   112.30969  -171.85825
   14    13 S   HC   HG11    14     1.09600   110.62604   -58.64566
   15    13 S   HC   HG12    15     1.09652   109.86300    60.47958
   16    13 S   C    _CD1    16     1.51739   112.28517  -178.79082
   17    16 S   O    _OE1    17     1.22707   123.36630     1.92712
   18    16 S   N    _N2_    18     1.38588   111.51809  -178.44858
   19    18 S   H    _HN2    19     1.01569   118.93693     3.87555
   20    18 S   CT1  _CA2    20     1.46134   123.48542  -178.70291
   21    20 S   HC   _HA2    21     1.09725   109.39183    -0.03426
   22    20 S   C    _C2_    22     1.53452   108.74835  -115.73532
   23    22 S   O    _O2_    23     1.23053   122.26245  -148.57557
   24    20 S   CT   _CB2    32     1.53317   111.26115   121.84447
   25    24 S   HC   HB21    33     1.09541   110.15070    58.46205
   26    24 S   HC   HB22    34     1.09534   110.42853   176.41701
   27    22 S   N    _N3_    24     1.38319   113.68279    38.86142
   28    27 S   H    _HN3    25     1.01605   119.55004    -3.38530
   29    24 S   S    _SG2    35     1.82992   111.70696   -64.76474
   30    27 S   CT   _CA3    26     1.45293   123.17493   177.05955
   31    30 S   HC   HA31    27     1.09550   107.49021   -64.83797
   32    30 S   HC   HA32    28     1.09556   108.00098    51.59284
   33    29 S   CT   _C17    36     1.83558    99.97823   132.52712
   34    33 S   HC   _H3_    37     1.09590   107.84103    45.72165
   35    30 S   CO3  _C3_    29     1.52946   114.10194   173.58733
   36    35 S   O2Z  _O31    30     1.26370   116.05175    -1.31626
   37    35 S   O2Z  _O32    31     1.26426   114.41782   178.76125
   38    33 S   CM   _C10    38     1.49914   108.22848   162.79590
   39    38 S   HC   _H27    39     1.09100   115.04138   -71.61744
   40    38 S   CMA  _C11    40     1.35441   126.85389   111.10720
   41    40 S   OM   _O19    41     1.26172   125.97704   178.08654
   42    40 S   N    _N18    42     1.42958   119.02899    -4.52078
   43    42 S   CT   _C16    43     1.48399   117.00475   -10.04929
   44    43 S   HC   _H32    44     1.09654   107.55882   -82.78286
   45    43 S   HC   _H33    45     1.09464   110.38807   160.23199
   46    42 S   C    _C14    49     1.42385   123.51326   170.41614
   47    46 S   O    _O20    50     1.23192   126.63830   -20.57866
   48    33 S   CT   _C15    46     1.52245   112.56667   -75.13608
   49    48 S   HC   _H30    47     1.09907   108.57885   161.66382
   50    48 S   HC   _H31    48     1.09469   112.33548    44.69774
   51    46 S   CM   _C13    51     1.49452   115.19847   158.70902
   52    51 S   HC   _H29    52     1.08447   118.22552   -33.93076
   53    51 S   CM   _C12    53     1.34066   119.52739   147.00564
   54    53 S   HC   _H28    54     1.08662   121.30792    -2.44360
   55    53 S   CA   _C6_    55     1.46859   122.45744  -179.76930
   56    55 S   CA   _C4_    56     1.40359   121.35337   -52.11656
   57    56 S   HA   _H25    57     1.08646   118.57850    -0.04846
   58    56 S   CA   _C7_    58     1.39698   120.56412   179.57849
   59    58 S   CA   _C9_    59     1.40364   118.76229    -0.39860
   60    58 S   OS   _O21    73     1.37112   125.14338   179.82196
   61    59 S   CA   _C8_    60     1.40398   121.48632     2.73867
   62    59 S   OS   _O23    68     1.37736   119.18925   179.54030
   63    60 S   CT   _C18    74     1.42214   117.18814    -1.38536
   64    63 S   HC   _H35    75     1.09429   107.71360  -178.99575
   65    63 S   HC   _H36    76     1.09453   111.19734    63.33196
   66    63 S   HC   _H37    77     1.09499   111.18729   -61.29344
   67    55 S   CA   _C5_    61     1.40282   118.86064   129.49261
   68    67 S   HA   _H26    62     1.08659   118.43230    -0.12820
   69    61 S   OS   _O22    63     1.37106   116.08400   177.41517
   70    62 S   CT   _C20    69     1.42880   109.83703    91.72396
   71    70 S   HC   _H41    70     1.09405   107.77193  -179.56165
   72    70 S   HC   _H42    71     1.09545   111.33052    62.17228
   73    70 S   HC   _H43    72     1.09562   111.37632   -61.27085
   74    69 S   CT   _C19    64     1.42208   117.20020   178.26697
   75    74 S   HC   _H38    65     1.09429   107.73873  -179.14728
   76    74 S   HC   _H39    66     1.09493   111.12322    63.14846
   77    74 S   HC   _H40    67     1.09500   111.16570   -61.42077
  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   9   5   4   3
  12   7   2   1   1   9   4   9   3  11   8   5   4   7   3   2
   1   1   6   3   8   3   9   9   4  11  12   6   9   6   3   2
   1   1   3   1   4   3   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    48    49    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    48    49    50  
   38    39    40    43    48    49    50  
   36    37  
   37  
    0  
   39    40    41    42    43    48    49    50    46  
   40    41    42    48  
   41    42    43    44    45    48    46    47    51  
   42    43    46  
   43    44    45    48    49    50    46    47    51    52    53  
   44    45    48    49    50    46    47    51  
   45    48    49    50    46  
   48    49    50    46  
   47    51    52    53    54    55    48  
   51    52    53  
   49    50  
   50  
    0  
   52    53    54    55    56    67  
   53    54    55  
   54    55    56    57    58    61    67    68  
   55    56    67  
   56    57    58    59    61    67    68    69    60  
   57    58    59    61    67    68    62    60    63  
   58    59    67    60  
   59    61    67    69    62    70    60    63    64    65    66  
   61    67    68    69    74    62    70    71    72    73    60    63  
   63    64    65    66    61    62  
   67    68    69    74    75    76    77    62    70  
   70    71    72    73    67    69  
   64    65    66  
   65    66  
   66  
    0  
   68    69    74  
   69  
   74    75    76    77  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77  
   76    77  
   77  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.2500   0.1700  -0.592500   1.8100   1.6000   0.054801302  -1.445846770
   43   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.171700   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   60   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   62   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    48   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   400.000  1.384
   42    43   337.000  1.449
   42    46   490.000  1.335
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   46    47   570.000  1.229
   46    51   410.000  1.444
   51    52   340.000  1.080
   51    53   549.000  1.340
   53    54   340.000  1.080
   53    55   320.000  1.460
   55    56   469.000  1.400
   55    67   469.000  1.400
   56    57   367.000  1.080
   56    58   469.000  1.400
   58    59   469.000  1.400
   58    60   450.000  1.364
   59    61   469.000  1.400
   59    62   450.000  1.364
   61    67   469.000  1.400
   61    69   450.000  1.364
   67    68   367.000  1.080
   69    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   62    70   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   60    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   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  112.20000
   29    33    48    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    48    43    58.35000  112.70000
   33    48    49    37.50000  110.70000
   33    48    50    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    75.00000  120.83300
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  119.94800
   40    42    46    70.00000  120.89900
   42    40    41   110.00000  107.01400
   42    43    44    35.00000  109.50000
   42    43    45    35.00000  109.50000
   42    43    48    70.00000  110.72300
   42    46    47    80.00000  122.90000
   42    46    51    80.00000  111.56200
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   45    43    44    33.00000  107.80000
   48    33    34    37.50000  110.70000
   48    33    38    70.00000  112.02700
   48    43    44    37.50000  110.70000
   48    43    45    37.50000  110.70000
   50    48    49    33.00000  107.80000
   46    42    43    50.00000  121.90000
   46    51    52    35.00000  119.70000
   46    51    53    70.00000  118.70000
   51    46    47    80.00000  125.30000
   51    53    54    35.00000  120.00000
   51    53    55    60.00000  123.20500
   53    51    52    35.00000  120.00000
   53    55    56    60.00000  120.93500
   53    55    67    60.00000  120.93500
   55    53    54    40.00000  117.26300
   55    56    57    35.00000  120.00000
   55    56    58    63.00000  120.00000
   55    67    61    63.00000  120.00000
   55    67    68    35.00000  120.00000
   56    58    59    63.00000  120.00000
   56    58    60    70.00000  120.00000
   58    56    57    35.00000  120.00000
   58    59    61    63.00000  120.00000
   58    59    62    70.00000  120.00000
   58    60    63    75.00000  111.00000
   59    61    67    63.00000  120.00000
   59    61    69    70.00000  120.00000
   59    62    70    75.00000  111.00000
   61    67    68    35.00000  120.00000
   61    69    74    75.00000  111.00000
   67    55    56    63.00000  120.00000
   69    61    67    70.00000  120.00000
   69    74    75    35.00000  109.50000
   69    74    76    35.00000  109.50000
   69    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   62    59    61    70.00000  120.00000
   62    70    71    35.00000  109.50000
   62    70    72    35.00000  109.50000
   62    70    73    35.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   60    58    59    70.00000  120.00000
   60    63    64    35.00000  109.50000
   60    63    65    35.00000  109.50000
   60    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    48    43   0.44750  1.0 1.0
   29    33    48    43  -0.17800 -1.0 2.0
   29    33    48    43   0.20200  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    50   0.15000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    48    43   0.15000  1.0 3.0
   34    33    48    49   0.15000  1.0 3.0
   34    33    48    50   0.15000  1.0 3.0
   38    33    48    43   0.34400  1.0 1.0
   38    33    48    43   0.09450 -1.0 2.0
   38    33    48    43   0.11100  1.0 3.0
   38    33    48    49   0.15000  1.0 3.0
   38    33    48    50   0.15000  1.0 3.0
   38    40   -42    43  -0.88150  1.0 1.0
   38    40   -42    43   2.95600 -1.0 2.0
   38    40    42    46  -0.18900  1.0 1.0
   38    40    42    46   1.70900 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    43    44   0.00000  1.0 1.0
   40    42    43    45   0.00000  1.0 1.0
   40    42    43    48  -0.05900 -1.0 2.0
   40    42    46    47   2.67200 -1.0 2.0
   40    42    46    51   2.45000 -1.0 2.0
   41    40    42    43   1.00000 -1.0 2.0
   41    40    42    46  -0.56400  1.0 1.0
   41    40    42    46   0.77500 -1.0 2.0
   41    40    42    46   0.18700  1.0 3.0
   42    43   -48    33   0.43900  1.0 1.0
   42    43   -48    33   0.49100 -1.0 2.0
   42    43   -48    33   0.28400  1.0 3.0
   42    43    48    49   0.15000  1.0 3.0
   42    43    48    50   0.15000  1.0 3.0
   42    46    51    52   0.65100 -1.0 2.0
   42    46    51    53   0.49500  1.0 1.0
   42    46    51    53   1.31600 -1.0 2.0
   42    46    51    53  -0.02300  1.0 3.0
   43    42    46    47   3.04450 -1.0 2.0
   43    42    46    51   1.49850  1.0 1.0
   43    42    46    51   1.53950 -1.0 2.0
   44    43    48    33   0.15000  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   45    43    48    33   0.15000  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    43    48    50   0.15000  1.0 3.0
   48    33    38    39   0.00000  1.0 1.0
   48    33   -38    40   0.09850  1.0 1.0
   48    33   -38    40   0.15250 -1.0 2.0
   48    33   -38    40  -0.50650  1.0 3.0
   46    42    43    44   0.00000  1.0 1.0
   46    42    43    45   0.00000  1.0 1.0
   46    42    43    48  -0.43950  1.0 1.0
   46    42    43    48  -0.08100 -1.0 2.0
   46    42    43    48   0.03350  1.0 3.0
   46    51    53    54   7.00000 -1.0 2.0
   46    51    53    55   7.00000 -1.0 2.0
   47    46    51    52   0.00000  1.0 1.0
   47    46    51    53   1.00000 -1.0 2.0
   51    53    55    56   0.15800  1.0 1.0
   51    53    55    56   1.85350 -1.0 2.0
   51    53    55    56  -0.48700  1.0 3.0
   51    53    55    67   0.15800  1.0 1.0
   51    53    55    67   1.85350 -1.0 2.0
   51    53    55    67  -0.48700  1.0 3.0
   52    51    53    54   7.00000 -1.0 2.0
   52    51    53    55   7.00000 -1.0 2.0
   53    55    56    57   3.62500 -1.0 2.0
   53    55    56    58   3.62500 -1.0 2.0
   53    55    67    61   3.62500 -1.0 2.0
   53    55    67    68   3.62500 -1.0 2.0
   54    53    55    56   0.56550  1.0 3.0
   54    53    55    67   0.56550  1.0 3.0
   55    56    58    59   3.62500 -1.0 2.0
   55    56    58    60   3.62500 -1.0 2.0
   56    55    67    61   3.62500 -1.0 2.0
   56    55    67    68   3.62500 -1.0 2.0
   56    58   -59    61   3.62500 -1.0 2.0
   56    58    59    62   3.62500 -1.0 2.0
   56    58    60    63   1.63200 -1.0 2.0
   57    56    58    59   3.62500 -1.0 2.0
   57    56    58    60   3.62500 -1.0 2.0
   58    59    61    67   3.62500 -1.0 2.0
   58    59    61    69   3.62500 -1.0 2.0
   58    59    62    70   1.63200 -1.0 2.0
   58    60    63    64   0.08050  1.0 3.0
   58    60    63    65   0.08050  1.0 3.0
   58    60    63    66   0.08050  1.0 3.0
   59    58    60    63   1.63200 -1.0 2.0
   59    61   -67    55   3.62500 -1.0 2.0
   59    61    67    68   3.62500 -1.0 2.0
   59    61    69    74   1.63200 -1.0 2.0
   59    62    70    71   0.08050  1.0 3.0
   59    62    70    72   0.08050  1.0 3.0
   59    62    70    73   0.08050  1.0 3.0
   61    59    62    70   1.63200 -1.0 2.0
   61    69    74    75   0.08050  1.0 3.0
   61    69    74    76   0.08050  1.0 3.0
   61    69    74    77   0.08050  1.0 3.0
   67    55    56    57   3.62500 -1.0 2.0
   67    55   -56    58   3.62500 -1.0 2.0
   67    61    69    74   1.63200 -1.0 2.0
   69    61    67    55   3.62500 -1.0 2.0
   69    61    67    68   3.62500 -1.0 2.0
   62    59    61    67   3.62500 -1.0 2.0
   62    59    61    69   3.62500 -1.0 2.0
   60    58    59    61   3.62500 -1.0 2.0
   60    58    59    62   3.62500 -1.0 2.0
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
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   43    46    42    40   1.00000 -1.0 2.0
   42    51    46    47  10.50000 -1.0 2.0
   46    52    51    53  15.00000 -1.0 2.0
   55    54    53    51  15.00000 -1.0 2.0
   56    67    55    53   4.00000 -1.0 2.0
   58    57    56    55   1.10000 -1.0 2.0
   59    60    58    56   4.00000 -1.0 2.0
   61    62    59    58   4.00000 -1.0 2.0
   67    69    61    59   4.00000 -1.0 2.0
   61    68    67    55   1.10000 -1.0 2.0
END
