* LIGAND DATABASE FILE (OPLS2005)
*
001      73    77    149    241     425
    1     0 S   NP   _N1_     1    28.05308    93.92131   -20.89929
    2     1 S   H    _HN1     2     1.02771    89.51660   -89.46546
    3     1 S   H    _H1_     3     1.02970    90.72084    18.88220
    4     1 S   H    _H2_     4     1.02835    30.65415   142.42762
    5     1 S   CT   _CA1     5     1.50143   141.37917   143.86368
    6     5 S   HC   _HA1     6     1.09577   105.22249    58.44281
    7     5 S   CO3  _C1_     7     1.53781   112.38376   -61.67225
    8     7 S   O2Z  _O11     8     1.26351   114.99987   -43.06345
    9     7 S   O2Z  _O12     9     1.26240   114.92816   136.04128
   10     5 S   CT   _CB1    10     1.53099   107.38197   176.27648
   11    10 S   HC   HB11    11     1.09817   109.23917   -51.51161
   12    10 S   HC   HB12    12     1.09776   110.32519    64.95228
   13    10 S   CT   _CG1    13     1.53025   112.76040  -172.78988
   14    13 S   HC   HG11    14     1.09602   110.31961   -65.24694
   15    13 S   HC   HG12    15     1.09652   110.01408    53.90851
   16    13 S   C    _CD1    16     1.51882   112.43900   174.10981
   17    16 S   O    _OE1    17     1.22765   123.12175    -5.00108
   18    16 S   N    _N2_    18     1.38552   111.62770   175.20425
   19    18 S   H    _HN2    19     1.01580   118.78729     4.28487
   20    18 S   CT1  _CA2    20     1.45946   123.54039   177.78044
   21    20 S   HC   _HA2    21     1.09518   109.05154    14.50497
   22    20 S   C    _C2_    22     1.52798   107.08042  -102.11435
   23    22 S   O    _O2_    23     1.22955   123.07661   -25.96476
   24    20 S   CT   _CB2    32     1.53212   111.88338   137.91206
   25    24 S   HC   HB21    33     1.09638   109.97470    52.56167
   26    24 S   HC   HB22    34     1.09546   111.71937   170.73554
   27    22 S   N    _N3_    24     1.38493   112.45468   156.66353
   28    27 S   H    _HN3    25     1.01657   120.36779    -2.05652
   29    24 S   S    _SG2    35     1.82480   112.01893   -66.60358
   30    27 S   CT   _CA3    26     1.45349   122.54743   178.64088
   31    30 S   HC   HA31    27     1.09564   107.79117   -56.35143
   32    30 S   HC   HA32    28     1.09559   107.65281    60.01533
   33    29 S   CT   _C18    36     1.82462    99.62362   -83.85436
   34    33 S   HC   _H3_    37     1.09467   107.66068   -85.59198
   35    33 S   HC   _H4_    38     1.09367   110.81825    30.67155
   36    30 S   CO3  _C3_    29     1.52900   114.23242  -178.24119
   37    36 S   O2Z  _O31    30     1.26347   116.02176    -0.75744
   38    36 S   O2Z  _O32    31     1.26421   114.42843   179.22570
   39    33 S   CM   _C4_    39     1.50067   109.85218   152.56182
   40    39 S   CMA  _C5_    40     1.34818   127.83051   103.40117
   41    40 S   OM   _O16    41     1.26262   128.18854     1.09896
   42    40 S   OS   _O17    42     1.41890   109.30662  -176.16493
   43    42 S   CT   _C10    43     1.44457   107.05156   -18.70224
   44    43 S   HC   _H28    44     1.09896   106.98549   -91.52107
   45    39 S   CT   _C8_    45     1.49750   121.49997   -74.76309
   46    45 S   HC   _H26    46     1.09598   107.12669    76.06899
   47    43 S   CT   _C9_    55     1.54009   109.30252   149.03440
   48    47 S   HC   _H27    56     1.09845   108.89378   -52.52935
   49    45 S   CT   _C6_    47     1.52490   114.69825   -47.32706
   50    49 S   HC   _H22    48     1.09527   108.62676    76.41429
   51    49 S   HC   _H23    49     1.09827   110.67432   -39.00991
   52    47 S   C3T  _C14    57     1.56137   111.53266    65.42798
   53    49 S   CT   _C7_    50     1.52875   115.00209  -161.64326
   54    53 S   HC   _H24    51     1.09794   109.83909    85.15538
   55    53 S   HC   _H25    52     1.09868   105.79650  -161.63598
   56    52 S   C3T  _C12    58     1.51671   109.64428   130.53797
   57    56 S   HC   _H30    59     1.07997   119.62369  -145.06310
   58    52 S   CT   _C16    64     1.48946   123.65831   -22.70778
   59    58 S   HC   _H31    65     1.09609   111.32429   178.81816
   60    58 S   HC   _H32    66     1.09382   111.32196    59.55344
   61    58 S   HC   _H33    67     1.09402   110.80261   -62.15710
   62    53 S   CT   _C15    53     1.54033   115.94805   -39.57761
   63    66 S   C3T  _C11    60     1.53062   123.47583   101.99942
   64    63 S   HC   _H29    61     1.07841   120.97658   -12.05781
   65    52 S   O3T  _O19    63     1.43812   114.40148  -166.59797
   66    62 S   C3T  _C13    54     1.52598   111.92120    83.98257
   67    66 S   O3T  _O18    62     1.44783   111.34147   166.05136
   68    62 S   CT   _C17    68     1.54384   107.46397  -151.89111
   69    68 S   HC   _H34    69     1.09581   111.60937   178.94205
   70    68 S   HC   _H35    70     1.09702   110.76042    61.55629
   71    68 S   HC   _H36    71     1.09455   112.01321   -59.01361
   72    62 S   OH   _O20    72     1.42988   110.90678   -37.20685
   73    72 S   HO   _H39    73     0.97400   108.13761   -48.32772
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   9  17   7  12   5  18   8
   9   5   4  12  12   5   4  11   6   6   3   2   1  10   6   3
   2   7   2   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    45  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    45    46    49  
   35    39    40    45  
   39    40    45  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    49    50    51    53    47  
   41    42    43    44    45    46    49    47  
   42    43    45  
   43    44    45    46    49    66    47    48    52  
   44    45    46    49    50    51    53    62    66    47    48    52    56    63    67    65    58  
   45    46    49    66    47    48    52  
   46    49    50    51    53    54    55    62    66    47    48    52  
   49    50    51    53    47  
   48    52    56    57    63    64    67    65    58    59    60    61    68    72    49    53    62    66  
   52    56    63    67    65    58    62    66  
   50    51    53    54    55    62    66    68    72  
   51    53    54    55    62  
   53    54    55    62  
   56    57    63    64    67    65    58    59    60    61    62    66  
   54    55    62    66    63    67    68    69    70    71    72    73  
   55    62    66    68    72  
   62    66    68    72  
   57    63    64    67    65    58    59    60    61    62    66  
   63    64    67    65    58    66  
   59    60    61    63    65    66  
   60    61    65  
   61    65  
   65  
   66    63    64    67    68    69    70    71    72    73  
   64    67    65    68    72    66  
   67    65    66  
   66    67  
   67    68    69    70    71    72    73  
   68    72  
   69    70    71    72    73  
   70    71    72  
   71    72  
   72  
   73  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   67   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    45   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    47   268.000  1.529
   45    46   340.000  1.090
   45    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    62   268.000  1.529
   62    66   275.000  1.510
   62    68   268.000  1.529
   62    72   320.000  1.410
   66    47   275.000  1.510
   66    63   260.000  1.509
   66    67   335.000  1.432
   47    48   340.000  1.090
   47    52   275.000  1.510
   52    56   260.000  1.509
   52    65   335.000  1.432
   52    58   275.000  1.510
   56    57   340.000  1.088
   56    63   260.000  1.509
   56    65   335.000  1.432
   63    64   340.000  1.088
   63    67   335.000  1.432
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    45    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    45    43    70.00000  112.02700
   39    45    46    35.00000  109.50000
   39    45    49    70.00000  112.02700
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    47    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    49    58.35000  112.70000
   43    47    66    70.00000  112.37300
   43    47    48    37.50000  110.70000
   43    47    52    70.00000  112.37300
   45    39    40    70.00000  124.00000
   45    43    44    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    51    37.50000  110.70000
   45    49    53    58.35000  112.70000
   49    45    46    37.50000  110.70000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    62    58.35000  112.70000
   51    49    50    33.00000  107.80000
   53    49    50    37.50000  110.70000
   53    49    51    37.50000  110.70000
   53    62    66    70.00000  112.37300
   53    62    68    58.35000  112.70000
   53    62    72    50.00000  109.50000
   55    53    54    33.00000  107.80000
   62    53    54    37.50000  110.70000
   62    53    55    37.50000  110.70000
   62    66    47    58.35000  112.70000
   62    66    63    60.00000  120.94000
   62    66    67    80.00000  116.47100
   62    68    69    37.50000  110.70000
   62    68    70    37.50000  110.70000
   62    68    71    37.50000  110.70000
   62    72    73    55.00000  108.50000
   66    47    48    45.00000  109.38400
   66    47    52    70.00000  112.37300
   66    63    56    60.00000  120.94000
   66    63    64    37.50000  117.20000
   66    63    67    15.00000   60.43100
   66    67    63    15.00000   59.14900
   47    43    44    37.50000  110.70000
   47    43    45    58.35000  112.70000
   47    52    56    60.00000  120.94000
   47    52    65    80.00000  116.47100
   47    52    58    58.35000  112.70000
   52    47    48    45.00000  109.38400
   52    56    57    37.50000  117.20000
   52    56    63    60.00000  120.94000
   52    56    65    15.00000   60.43100
   52    65    56    15.00000   59.14900
   52    58    59    45.00000  109.38400
   52    58    60    45.00000  109.38400
   52    58    61    45.00000  109.38400
   56    63    64    37.50000  117.20000
   56    63    67    80.00000  116.47100
   63    66    47    60.00000  120.94000
   63    56    57    37.50000  117.20000
   67    66    47    80.00000  116.47100
   67    66    63    15.00000   60.43100
   67    63    64    50.00000  114.27700
   65    52    56    15.00000   60.43100
   65    56    57    50.00000  114.27700
   65    56    63    80.00000  116.47100
   58    52    56    60.00000  120.94000
   58    52    65    80.00000  116.47100
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   68    62    66    70.00000  112.37300
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    62    66    50.00000  109.50000
   72    62    68    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    45   0.30250  1.0 1.0
   29    33    39    45  -0.14950 -1.0 2.0
   29    33    39    45   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    45    43   0.46850  1.0 1.0
   33    39    45    43   0.08550 -1.0 2.0
   33    39    45    43   0.09800  1.0 3.0
   33    39    45    46   0.34800  1.0 3.0
   33    39    45    49   0.46850  1.0 1.0
   33    39    45    49   0.08550 -1.0 2.0
   33    39    45    49   0.09800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    45   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    45   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   39    45    49    50   0.15000  1.0 3.0
   39    45    49    51   0.15000  1.0 3.0
   39    45    49    53   0.34400  1.0 1.0
   39    45    49    53   0.09450 -1.0 2.0
   39    45    49    53   0.11100  1.0 3.0
   40    39   -45    43   0.09850  1.0 1.0
   40    39   -45    43   0.15250 -1.0 2.0
   40    39   -45    43  -0.50650  1.0 3.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    49   0.09850  1.0 1.0
   40    39    45    49   0.15250 -1.0 2.0
   40    39    45    49  -0.50650  1.0 3.0
   40    42    43    44   0.08050  1.0 3.0
   40    42   -43    45  -0.46850  1.0 1.0
   40    42   -43    45   0.09300 -1.0 2.0
   40    42   -43    45  -0.12850  1.0 3.0
   40    42    43    47  -0.46850  1.0 1.0
   40    42    43    47   0.09300 -1.0 2.0
   40    42    43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43   -45    39   0.61850  1.0 1.0
   42    43   -45    39  -0.22750 -1.0 2.0
   42    43   -45    39   0.15300  1.0 3.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    49   0.62750  1.0 1.0
   42    43    45    49  -0.30950 -1.0 2.0
   42    43    45    49   0.27300  1.0 3.0
   42    43    47    66  -0.26800  1.0 1.0
   42    43    47    66   0.69150 -1.0 2.0
   42    43    47    66  -0.48750  1.0 3.0
   42    43    47    48   0.23400  1.0 3.0
   42    43    47    52  -0.26800  1.0 1.0
   42    43    47    52   0.69150 -1.0 2.0
   42    43    47    52  -0.48750  1.0 3.0
   43    45    49    50   0.15000  1.0 3.0
   43    45    49    51   0.15000  1.0 3.0
   43    45    49    53   0.56750  1.0 1.0
   43    45    49    53  -0.07550 -1.0 2.0
   43    45    49    53   0.20000  1.0 3.0
   43    47    52    56   0.07850  1.0 1.0
   43    47    52    56  -0.03950 -1.0 2.0
   43    47    52    56   0.67350  1.0 3.0
   43    47    52    65   0.02550  1.0 1.0
   43    47    52    65  -0.02600 -1.0 2.0
   43    47    52    65   1.20400  1.0 3.0
   43    47    52    58   0.56750  1.0 1.0
   43    47    52    58  -0.07550 -1.0 2.0
   43    47    52    58   0.20000  1.0 3.0
   44    43    45    39   0.15000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    49   0.15000  1.0 3.0
   44    43    47    66   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    52   0.15000  1.0 3.0
   45    39    40    41   7.00000 -1.0 2.0
   45    39   -40    42   7.00000 -1.0 2.0
   45    43    47    66   0.47050  1.0 1.0
   45    43    47    66   0.03900 -1.0 2.0
   45    43    47    66   0.20100  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    43    47    52   0.47050  1.0 1.0
   45    43    47    52   0.03900 -1.0 2.0
   45    43    47    52   0.20100  1.0 3.0
   45    49    53    54   0.15000  1.0 3.0
   45    49    53    55   0.15000  1.0 3.0
   45    49    53    62   0.56750  1.0 1.0
   45    49    53    62  -0.07550 -1.0 2.0
   45    49    53    62   0.20000  1.0 3.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    51   0.15000  1.0 3.0
   46    45    49    53   0.15000  1.0 3.0
   49    53    62    66   0.47050  1.0 1.0
   49    53    62    66   0.03900 -1.0 2.0
   49    53    62    66   0.20100  1.0 3.0
   49    53    62    68   0.56750  1.0 1.0
   49    53    62    68  -0.07550 -1.0 2.0
   49    53    62    68   0.20000  1.0 3.0
   49    53    62    72   0.86500  1.0 1.0
   49    53    62    72  -0.17500 -1.0 2.0
   49    53    62    72   0.20800  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   50    49    53    62   0.15000  1.0 3.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    55   0.15000  1.0 3.0
   51    49    53    62   0.15000  1.0 3.0
   53    62    66    47   0.56750  1.0 1.0
   53    62    66    47  -0.07550 -1.0 2.0
   53    62    66    47   0.20000  1.0 3.0
   53    62    66    63   0.07850  1.0 1.0
   53    62    66    63  -0.03950 -1.0 2.0
   53    62    66    63   0.67350  1.0 3.0
   53    62    66    67   0.02550  1.0 1.0
   53    62    66    67  -0.02600 -1.0 2.0
   53    62    66    67   1.20400  1.0 3.0
   53    62    68    69   0.15000  1.0 3.0
   53    62    68    70   0.15000  1.0 3.0
   53    62    68    71   0.15000  1.0 3.0
   53    62    72    73  -0.11600  1.0 1.0
   53    62    72    73  -0.09450 -1.0 2.0
   53    62    72    73   0.21250  1.0 3.0
   54    53    62    66   0.15000  1.0 3.0
   54    53    62    68   0.15000  1.0 3.0
   54    53    62    72   0.23400  1.0 3.0
   55    53    62    66   0.15000  1.0 3.0
   55    53    62    68   0.15000  1.0 3.0
   55    53    62    72   0.23400  1.0 3.0
   62    66    47    43   0.56750  1.0 1.0
   62    66    47    43  -0.07550 -1.0 2.0
   62    66    47    43   0.20000  1.0 3.0
   62    66    47    48   0.15000  1.0 3.0
   62    66    47    52   0.47050  1.0 1.0
   62    66    47    52   0.03900 -1.0 2.0
   62    66    47    52   0.20100  1.0 3.0
   62    66    63    56   0.07850  1.0 1.0
   62    66    63    56  -0.03950 -1.0 2.0
   62    66    63    56   0.67350  1.0 3.0
   62    66    63    64   0.15000  1.0 3.0
   62    66   -63    67   0.02550  1.0 1.0
   62    66   -63    67  -0.02600 -1.0 2.0
   62    66   -63    67   1.20400  1.0 3.0
   62    66   -67    63   0.06250  1.0 1.0
   62    66   -67    63  -0.01100 -1.0 2.0
   62    66   -67    63   0.28050  1.0 3.0
   66    62    68    69   0.15000  1.0 3.0
   66    62    68    70   0.15000  1.0 3.0
   66    62    68    71   0.15000  1.0 3.0
   66    62    72    73  -0.11600  1.0 1.0
   66    62    72    73  -0.09450 -1.0 2.0
   66    62    72    73   0.21250  1.0 3.0
   66    47   -52    56   0.07850  1.0 1.0
   66    47   -52    56  -0.03950 -1.0 2.0
   66    47   -52    56   0.67350  1.0 3.0
   66    47    52    65   0.02550  1.0 1.0
   66    47    52    65  -0.02600 -1.0 2.0
   66    47    52    65   1.20400  1.0 3.0
   66    47    52    58   0.47050  1.0 1.0
   66    47    52    58   0.03900 -1.0 2.0
   66    47    52    58   0.20100  1.0 3.0
   47    43    45    39   0.34400  1.0 1.0
   47    43    45    39   0.09450 -1.0 2.0
   47    43    45    39   0.11100  1.0 3.0
   47    43    45    46   0.15000  1.0 3.0
   47    43    45    49   0.56750  1.0 1.0
   47    43    45    49  -0.07550 -1.0 2.0
   47    43    45    49   0.20000  1.0 3.0
   47    66   -63    56   0.07850  1.0 1.0
   47    66   -63    56  -0.03950 -1.0 2.0
   47    66   -63    56   0.67350  1.0 3.0
   47    66    63    64   0.15000  1.0 3.0
   47    66   -63    67   0.02550  1.0 1.0
   47    66   -63    67  -0.02600 -1.0 2.0
   47    66   -63    67   1.20400  1.0 3.0
   47    66   -67    63   0.06250  1.0 1.0
   47    66   -67    63  -0.01100 -1.0 2.0
   47    66   -67    63   0.28050  1.0 3.0
   47    52    56    57   0.15000  1.0 3.0
   47    52   -56    63   0.07850  1.0 1.0
   47    52   -56    63  -0.03950 -1.0 2.0
   47    52   -56    63   0.67350  1.0 3.0
   47    52   -56    65   0.02550  1.0 1.0
   47    52   -56    65  -0.02600 -1.0 2.0
   47    52   -56    65   1.20400  1.0 3.0
   47    52   -65    56   0.06250  1.0 1.0
   47    52   -65    56  -0.01100 -1.0 2.0
   47    52   -65    56   0.28050  1.0 3.0
   47    52    58    59   0.15000  1.0 3.0
   47    52    58    60   0.15000  1.0 3.0
   47    52    58    61   0.15000  1.0 3.0
   48    47    52    56   0.15000  1.0 3.0
   48    47    52    65   0.23400  1.0 3.0
   48    47    52    58   0.15000  1.0 3.0
   52    56   -63    66   0.07850  1.0 1.0
   52    56   -63    66  -0.03950 -1.0 2.0
   52    56   -63    66   0.67350  1.0 3.0
   52    56    63    64   0.15000  1.0 3.0
   52    56    63    67   0.02550  1.0 1.0
   52    56    63    67  -0.02600 -1.0 2.0
   52    56    63    67   1.20400  1.0 3.0
   56    52    58    59   0.15000  1.0 3.0
   56    52    58    60   0.15000  1.0 3.0
   56    52    58    61   0.15000  1.0 3.0
   56    63   -67    66   0.06250  1.0 1.0
   56    63   -67    66  -0.01100 -1.0 2.0
   56    63   -67    66   0.28050  1.0 3.0
   57    56    63    66   0.15000  1.0 3.0
   57    56    63    64   0.15000  1.0 3.0
   57    56    63    67   0.23400  1.0 3.0
   57    56   -65    52   0.36800  1.0 3.0
   63    66    47    43   0.07850  1.0 1.0
   63    66    47    43  -0.03950 -1.0 2.0
   63    66    47    43   0.67350  1.0 3.0
   63    66    47    48   0.15000  1.0 3.0
   63    66   -47    52   0.07850  1.0 1.0
   63    66   -47    52  -0.03950 -1.0 2.0
   63    66   -47    52   0.67350  1.0 3.0
   63    56   -65    52   0.06250  1.0 1.0
   63    56   -65    52  -0.01100 -1.0 2.0
   63    56   -65    52   0.28050  1.0 3.0
   64    63   -67    66   0.36800  1.0 3.0
   67    66    47    43   0.02550  1.0 1.0
   67    66    47    43  -0.02600 -1.0 2.0
   67    66    47    43   1.20400  1.0 3.0
   67    66    47    48   0.23400  1.0 3.0
   67    66   -47    52   0.02550  1.0 1.0
   67    66   -47    52  -0.02600 -1.0 2.0
   67    66   -47    52   1.20400  1.0 3.0
   67    66   -63    56   0.02550  1.0 1.0
   67    66   -63    56  -0.02600 -1.0 2.0
   67    66   -63    56   1.20400  1.0 3.0
   67    66   -63    64   0.23400  1.0 3.0
   65    52   -56    57   0.23400  1.0 3.0
   65    52   -56    63   0.02550  1.0 1.0
   65    52   -56    63  -0.02600 -1.0 2.0
   65    52   -56    63   1.20400  1.0 3.0
   65    52    58    59   0.23400  1.0 3.0
   65    52    58    60   0.23400  1.0 3.0
   65    52    58    61   0.23400  1.0 3.0
   65    56   -63    66   0.02550  1.0 1.0
   65    56   -63    66  -0.02600 -1.0 2.0
   65    56   -63    66   1.20400  1.0 3.0
   65    56    63    64   0.23400  1.0 3.0
   65    56    63    67   1.11900  1.0 1.0
   65    56    63    67  -1.16350 -1.0 2.0
   65    56    63    67  -0.34150  1.0 3.0
   58    52    56    57   0.15000  1.0 3.0
   58    52    56    63   0.07850  1.0 1.0
   58    52    56    63  -0.03950 -1.0 2.0
   58    52    56    63   0.67350  1.0 3.0
   58    52   -56    65   0.02550  1.0 1.0
   58    52   -56    65  -0.02600 -1.0 2.0
   58    52   -56    65   1.20400  1.0 3.0
   58    52   -65    56   0.06250  1.0 1.0
   58    52   -65    56  -0.01100 -1.0 2.0
   58    52   -65    56   0.28050  1.0 3.0
   68    62    66    47   0.56750  1.0 1.0
   68    62    66    47  -0.07550 -1.0 2.0
   68    62    66    47   0.20000  1.0 3.0
   68    62    66    63   0.07850  1.0 1.0
   68    62    66    63  -0.03950 -1.0 2.0
   68    62    66    63   0.67350  1.0 3.0
   68    62    66    67   0.02550  1.0 1.0
   68    62    66    67  -0.02600 -1.0 2.0
   68    62    66    67   1.20400  1.0 3.0
   68    62    72    73  -0.11600  1.0 1.0
   68    62    72    73  -0.09450 -1.0 2.0
   68    62    72    73   0.21250  1.0 3.0
   72    62    66    47   0.86500  1.0 1.0
   72    62    66    47  -0.17500 -1.0 2.0
   72    62    66    47   0.20800  1.0 3.0
   72    62    66    63   0.86500  1.0 1.0
   72    62    66    63  -0.17500 -1.0 2.0
   72    62    66    63   0.20800  1.0 3.0
   72    62    66    67   3.69350  1.0 1.0
   72    62    66    67  -1.82950 -1.0 2.0
   72    62    68    69   0.23400  1.0 3.0
   72    62    68    70   0.23400  1.0 3.0
   72    62    68    71   0.23400  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
   38    30    36    37  10.50000 -1.0 2.0
   33    45    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
END
