* LIGAND DATABASE FILE (OPLS2005)
*
001      72    76    135    229     403
    1     0 S   NP   _N1_     1    28.78693    95.97255   -22.07351
    2     1 S   H    _HN1     2     1.02953    75.24741    34.91949
    3     1 S   H    _H1_     3     1.02824    39.21279   178.40443
    4     1 S   H    _H2_     4     1.02775    97.38860   -72.20439
    5     1 S   CT   _CA1     5     1.50154   145.08096   139.43015
    6     5 S   HC   _HA1     6     1.09591   105.11033    84.30491
    7     5 S   CO3  _C1_     7     1.53670   112.34452   -35.58255
    8     7 S   O2Z  _O11     8     1.26344   114.93979   -44.48444
    9     7 S   O2Z  _O12     9     1.26242   114.80867   134.16860
   10     5 S   CT   _CB1    10     1.53033   107.35165  -158.08325
   11    10 S   HC   HB11    11     1.09825   108.86666   -52.11322
   12    10 S   HC   HB12    12     1.09810   110.62663    64.30853
   13    10 S   CT   _CG1    13     1.53013   112.78930  -173.31475
   14    13 S   HC   HG11    14     1.09591   110.43192   -71.24751
   15    13 S   HC   HG12    15     1.09681   109.92668    47.94753
   16    13 S   C    _CD1    16     1.51883   112.24117   167.90827
   17    16 S   O    _OE1    17     1.22748   123.28524     2.83973
   18    16 S   N    _N2_    18     1.38605   111.70461  -176.44053
   19    18 S   H    _HN2    19     1.01597   118.95595    -1.17453
   20    18 S   CT1  _CA2    20     1.46283   123.40805   175.97499
   21    20 S   HC   _HA2    21     1.09742   109.37664    -4.89185
   22    20 S   C    _C2_    22     1.53478   108.36464  -120.15146
   23    22 S   O    _O2_    23     1.23040   122.40766  -148.50998
   24    20 S   CT   _CB2    32     1.53191   111.50000   117.33690
   25    24 S   HC   HB21    33     1.09490   109.84677    55.23876
   26    24 S   HC   HB22    34     1.09511   110.77229   173.62619
   27    22 S   N    _N3_    24     1.38384   113.52143    39.11946
   28    27 S   H    _HN3    25     1.01622   119.45877    -3.84145
   29    24 S   S    _SG2    35     1.82817   111.15373   -67.50372
   30    27 S   CT   _CA3    26     1.45274   123.19288   176.91802
   31    30 S   HC   HA31    27     1.09551   107.55960   -63.15471
   32    30 S   HC   HA32    28     1.09557   107.91701    53.25940
   33    29 S   CT   _C23    36     1.85238    99.81347   148.57369
   34    33 S   HC   _H3_    37     1.09981   105.54181    41.00706
   35    30 S   CO3  _C3_    29     1.52946   114.10747   175.22262
   36    35 S   O2Z  _O31    30     1.26370   116.06240    -0.45800
   37    35 S   O2Z  _O32    31     1.26428   114.41239   179.59266
   38    33 S   CT   _C20    38     1.56515   111.04601   -77.96151
   39    38 S   OM   _O21    39     1.32790   107.91103   163.56728
   40    38 S   HC   _H33    40     1.09815   104.95687    36.40567
   41    38 S   CA   _C19    41     1.53968   113.24003   -77.78422
   42    41 S   CA   _C15    42     1.44027   120.25219   158.93043
   43    41 S   CA   _C18    62     1.41277   120.23586   -21.55539
   44    42 S   CA   _C10    43     1.41421   123.88342    -0.75563
   45    44 S   HA   _H31    44     1.08744   120.90922     0.14935
   46    43 S   CT   _C21    63     1.51320   123.75385     2.23747
   47    46 S   HC   _H34    64     1.09812   107.68099  -129.19943
   48    42 S   CR3  _C17    71     1.41972   119.49628   179.10234
   49    44 S   CA   _C8_    45     1.39705   122.50308   179.83331
   50    49 S   HA   _H29    46     1.08787   118.70569   179.81762
   51    33 S   CT   _C22    65     1.54125   109.36162   156.72838
   52    51 S   HC   _H35    66     1.09699   109.51165   -50.15711
   53    46 S   OH   _O22    69     1.43128   107.38941   115.87193
   54    53 S   HO   _H37    70     0.97203   107.51184   174.52919
   55    56 S   CR3  _C16    72     1.41101   118.97253     0.21306
   56    49 S   CA   _C13    47     1.39402   120.60512    -0.13122
   57    51 S   OH   _O23    67     1.43479   109.91694  -164.61058
   58    57 S   HO   _H38    68     0.97585   107.00496   -46.93461
   59    56 S   CA   _C6_    48     1.40301   121.17101  -179.93147
   60    59 S   HA   _H27    49     1.08782   120.54735    -0.28393
   61    59 S   CA   _C4_    50     1.39233   120.58512  -179.77445
   62    61 S   HA   _H25    51     1.08605   119.98598   179.68102
   63    61 S   CA   _C5_    52     1.39242   119.98015    -0.07662
   64    63 S   HA   _H26    53     1.08779   118.80924   179.85463
   65    63 S   CA   _C12    54     1.40271   120.57370     0.01978
   66    65 S   CA   _C7_    55     1.39755   120.96992   179.98022
   67    66 S   HA   _H28    56     1.08776   120.70404    -0.06256
   68    66 S   CA   _C9_    57     1.39338   120.47827   179.95154
   69    68 S   HA   _H30    58     1.08825   118.56063   180.00000
   70    68 S   CA   _C14    59     1.40156   120.90383     0.04846
   71    70 S   CA   _C11    60     1.39624   120.43481   180.00000
   72    71 S   HA   _H32    61     1.09009   119.36912    -0.27124
  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
  14   8   2   1   1  12   5   4  14  13  13   8   4  10   6  12
   7   3   6   3   3   1  12   8   1   1   6   3   5   3   5   2
   5   5   3   4   2   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    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    46    51    52    57  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    46    47    51    52    57    58    53  
   38    39    40    41    46    51    52    57  
   36    37  
   37  
    0  
   39    40    41    42    44    71    43    46    51    52    57    48  
   40    41    42    43    51  
   41    42    43    51  
   42    44    45    49    70    71    72    43    46    47    51    53    48    55  
   44    45    49    50    56    65    68    70    71    43    46    48    55  
   46    47    51    52    57    53    54    48    44    68    70    71    72  
   45    49    50    56    59    70    48    55  
   49    50    56    48  
   47    51    52    57    58    53    54    70    71    72  
   51    52    57    53    54    71  
   55    49    56    59    63    65    66    68    69    70    71    72  
   50    56    59    60    61    65    55  
   56    59    55  
   52    57    58    53    54    71  
   57    58    53  
   54    57    71  
    0  
   56    59    60    61    63    64    65    66    67    68    70    71  
   59    60    61    62    63    65    66    70  
   58  
    0  
   60    61    62    63    64    65  
   61    62    63  
   62    63    64    65    66  
   63    64    65  
   64    65    66    67    68  
   65    66  
   66    67    68    69    70  
   67    68    69    70    71  
   68    69    70  
   69    70    71    72  
   70    71  
   71    72  
   72  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   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   4.2000   0.3000   0.035000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5000   0.0660   0.205000   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   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   268.000  1.529
   33    51   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    41   317.000  1.510
   41    42   469.000  1.400
   41    43   469.000  1.400
   42    44   469.000  1.400
   42    48   490.000  1.398
   44    45   367.000  1.080
   44    49   469.000  1.400
   49    50   367.000  1.080
   49    56   469.000  1.400
   56    59   469.000  1.400
   56    55   490.000  1.398
   59    60   367.000  1.080
   59    61   469.000  1.400
   61    62   367.000  1.080
   61    63   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   469.000  1.400
   65    55   490.000  1.398
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   469.000  1.400
   70    48   490.000  1.398
   71    72   367.000  1.080
   71    43   469.000  1.400
   43    46   317.000  1.510
   46    47   340.000  1.090
   46    51   268.000  1.529
   46    53   320.000  1.410
   51    52   340.000  1.090
   51    57   320.000  1.410
   57    58   553.000  0.945
   53    54   553.000  0.945
   48    55   490.000  1.398
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    51    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    41    70.00000  112.17500
   33    51    46    58.35000  112.70000
   33    51    52    37.50000  110.70000
   33    51    57    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    70.00000  120.00000
   38    41    43    70.00000  120.00000
   40    38    39    45.00000  125.66300
   41    38    39    85.00000  111.85700
   41    38    40    35.00000  109.50000
   41    42    44    63.00000  120.00000
   41    42    48    70.00000  112.88000
   41    43    71    63.00000  120.00000
   41    43    46    70.00000  120.00000
   42    44    45    35.00000  120.00000
   42    44    49    63.00000  120.00000
   42    48    70    60.00000  130.80000
   42    48    55    60.00000  130.80000
   44    49    50    35.00000  120.00000
   44    49    56    63.00000  120.00000
   49    44    45    35.00000  120.00000
   49    56    59    63.00000  120.00000
   49    56    55    70.00000  112.88000
   56    49    50    35.00000  120.00000
   56    59    60    35.00000  120.00000
   56    59    61    63.00000  120.00000
   56    55    65    60.00000  130.80000
   56    55    48    60.00000  130.80000
   59    61    62    35.00000  120.00000
   59    61    63    63.00000  120.00000
   61    59    60    35.00000  120.00000
   61    63    64    35.00000  120.00000
   61    63    65    63.00000  120.00000
   63    61    62    35.00000  120.00000
   63    65    66    63.00000  120.00000
   63    65    55    70.00000  112.88000
   65    63    64    35.00000  120.00000
   65    66    67    35.00000  120.00000
   65    66    68    63.00000  120.00000
   65    55    48    60.00000  130.80000
   66    68    69    35.00000  120.00000
   66    68    70    63.00000  120.00000
   68    66    67    35.00000  120.00000
   68    70    71    63.00000  120.00000
   68    70    48    70.00000  112.88000
   70    68    69    35.00000  120.00000
   70    71    72    35.00000  120.00000
   70    71    43    63.00000  120.00000
   70    48    55    60.00000  130.80000
   71    43    46    70.00000  120.00000
   43    41    42    63.00000  120.00000
   43    71    72    35.00000  120.00000
   43    46    47    35.00000  109.50000
   43    46    51    70.00000  112.17500
   43    46    53    90.00000  112.51600
   46    51    52    37.50000  110.70000
   46    51    57    50.00000  109.50000
   46    53    54    55.00000  108.50000
   51    33    34    37.50000  110.70000
   51    33    38    58.35000  112.70000
   51    46    47    37.50000  110.70000
   51    57    58    55.00000  108.50000
   57    51    52    35.00000  109.50000
   53    46    47    35.00000  109.50000
   53    46    51    50.00000  109.50000
   48    42    44    70.00000  112.88000
   48    70    71    70.00000  112.88000
   55    56    59    70.00000  112.88000
   55    65    66    70.00000  112.88000
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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    51    46   0.44750  1.0 1.0
   29    33    51    46  -0.17800 -1.0 2.0
   29    33    51    46   0.20200  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    57   0.56750  1.0 1.0
   29    33    51    57  -0.07550 -1.0 2.0
   29    33    51    57   0.20000  1.0 3.0
   33    38    41    42   0.04150 -1.0 2.0
   33    38    41    43   0.04150 -1.0 2.0
   33    51    57    58  -0.11600  1.0 1.0
   33    51    57    58  -0.09450 -1.0 2.0
   33    51    57    58   0.21250  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.43200  1.0 3.0
   34    33    51    46   0.15000  1.0 3.0
   34    33    51    52   0.15000  1.0 3.0
   34    33    51    57   0.23400  1.0 3.0
   38    33    51    46   0.56750  1.0 1.0
   38    33    51    46  -0.07550 -1.0 2.0
   38    33    51    46   0.20000  1.0 3.0
   38    33    51    52   0.15000  1.0 3.0
   38    33    51    57   0.86500  1.0 1.0
   38    33    51    57  -0.17500 -1.0 2.0
   38    33    51    57   0.20800  1.0 3.0
   38    41    42    44   3.62500 -1.0 2.0
   38    41    42    48   3.62500 -1.0 2.0
   38    41    43    71   3.62500 -1.0 2.0
   38    41   -43    46   3.62500 -1.0 2.0
   39    38    41    42   0.64500  1.0 1.0
   39    38    41    42   0.14800 -1.0 2.0
   39    38    41    42   0.20650  1.0 3.0
   39    38    41    43   0.64500  1.0 1.0
   39    38    41    43   0.14800 -1.0 2.0
   39    38    41    43   0.20650  1.0 3.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    42    44    45   3.62500 -1.0 2.0
   41    42    44    49   3.62500 -1.0 2.0
   41    42    48    70   3.62500 -1.0 2.0
   41    42    48    55   3.62500 -1.0 2.0
   41    43    46    47   0.00000  1.0 1.0
   41    43    46    51   0.04150 -1.0 2.0
   41    43    46    53   0.14300 -1.0 2.0
   41    43    46    53   0.00300  1.0 3.0
   42    41    43    71   3.62500 -1.0 2.0
   42    41    43    46   3.62500 -1.0 2.0
   42    44    49    50   3.62500 -1.0 2.0
   42    44    49    56   3.62500 -1.0 2.0
   42    48   -55    56   3.62500 -1.0 2.0
   42    48    55    65   3.62500 -1.0 2.0
   44    42    48    70   3.62500 -1.0 2.0
   44    42    48    55   3.62500 -1.0 2.0
   44    49    56    59   3.62500 -1.0 2.0
   44    49   -56    55   3.62500 -1.0 2.0
   45    44    49    50   3.62500 -1.0 2.0
   45    44    49    56   3.62500 -1.0 2.0
   49    56    59    60   3.62500 -1.0 2.0
   49    56    59    61   3.62500 -1.0 2.0
   49    56    55    65   3.62500 -1.0 2.0
   49    56    55    48   3.62500 -1.0 2.0
   50    49    56    59   3.62500 -1.0 2.0
   50    49    56    55   3.62500 -1.0 2.0
   56    59    61    62   3.62500 -1.0 2.0
   56    59    61    63   3.62500 -1.0 2.0
   59    56    55    65   3.62500 -1.0 2.0
   59    56    55    48   3.62500 -1.0 2.0
   59    61    63    64   3.62500 -1.0 2.0
   59    61   -63    65   3.62500 -1.0 2.0
   60    59    61    62   3.62500 -1.0 2.0
   60    59    61    63   3.62500 -1.0 2.0
   61    63    65    66   3.62500 -1.0 2.0
   61    63    65    55   3.62500 -1.0 2.0
   62    61    63    64   3.62500 -1.0 2.0
   62    61    63    65   3.62500 -1.0 2.0
   63    65    66    67   3.62500 -1.0 2.0
   63    65    66    68   3.62500 -1.0 2.0
   63    65   -55    56   3.62500 -1.0 2.0
   63    65    55    48   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    55   3.62500 -1.0 2.0
   65    66    68    69   3.62500 -1.0 2.0
   65    66    68    70   3.62500 -1.0 2.0
   66    65    55    56   3.62500 -1.0 2.0
   66    65    55    48   3.62500 -1.0 2.0
   66    68    70    71   3.62500 -1.0 2.0
   66    68   -70    48   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    70   3.62500 -1.0 2.0
   68    70    71    72   3.62500 -1.0 2.0
   68    70    71    43   3.62500 -1.0 2.0
   68    70    48    42   3.62500 -1.0 2.0
   68    70    48    55   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    48   3.62500 -1.0 2.0
   70    71   -43    41   3.62500 -1.0 2.0
   70    71    43    46   3.62500 -1.0 2.0
   70    48    55    56   3.62500 -1.0 2.0
   70    48   -55    65   3.62500 -1.0 2.0
   71    70   -48    42   3.62500 -1.0 2.0
   71    70    48    55   3.62500 -1.0 2.0
   71    43    46    47   0.00000  1.0 1.0
   71    43    46    51   0.04150 -1.0 2.0
   71    43    46    53   0.14300 -1.0 2.0
   71    43    46    53   0.00300  1.0 3.0
   72    71    43    41   3.62500 -1.0 2.0
   72    71    43    46   3.62500 -1.0 2.0
   43    41    42    44   3.62500 -1.0 2.0
   43    41    42    48   3.62500 -1.0 2.0
   43    46   -51    33  -0.03700  1.0 1.0
   43    46   -51    33   0.37200 -1.0 2.0
   43    46   -51    33  -0.47300  1.0 3.0
   43    46    51    52   0.43200  1.0 3.0
   43    46    51    57   1.13150  1.0 1.0
   43    46    51    57  -1.01400 -1.0 2.0
   43    46    53    54   0.31900  1.0 1.0
   43    46    53    54  -0.11800 -1.0 2.0
   43    46    53    54   0.38750  1.0 3.0
   46    51    57    58  -0.11600  1.0 1.0
   46    51    57    58  -0.09450 -1.0 2.0
   46    51    57    58   0.21250  1.0 3.0
   47    46    51    33   0.15000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    57   0.23400  1.0 3.0
   47    46    53    54   0.19450  1.0 3.0
   51    33    38    39   0.62750  1.0 1.0
   51    33    38    39  -0.30950 -1.0 2.0
   51    33    38    39   0.27300  1.0 3.0
   51    33    38    40   0.15000  1.0 3.0
   51    33   -38    41  -0.03700  1.0 1.0
   51    33   -38    41   0.37200 -1.0 2.0
   51    33   -38    41  -0.47300  1.0 3.0
   51    46    53    54  -0.11600  1.0 1.0
   51    46    53    54  -0.09450 -1.0 2.0
   51    46    53    54   0.21250  1.0 3.0
   52    51    57    58   0.19450  1.0 3.0
   53    46    51    33   0.86500  1.0 1.0
   53    46    51    33  -0.17500 -1.0 2.0
   53    46    51    33   0.20800  1.0 3.0
   53    46    51    52   0.23400  1.0 3.0
   53    46    51    57   3.75450  1.0 1.0
   48    42    44    45   3.62500 -1.0 2.0
   48    42   -44    49   3.62500 -1.0 2.0
   48    70    71    72   3.62500 -1.0 2.0
   48    70   -71    43   3.62500 -1.0 2.0
   55    56    59    60   3.62500 -1.0 2.0
   55    56   -59    61   3.62500 -1.0 2.0
   55    65    66    67   3.62500 -1.0 2.0
   55    65   -66    68   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
   42    43    41    38   4.00000 -1.0 2.0
   44    48    42    41   4.00000 -1.0 2.0
   49    45    44    42   1.10000 -1.0 2.0
   56    50    49    44   1.10000 -1.0 2.0
   59    55    56    49   4.00000 -1.0 2.0
   61    60    59    56   1.10000 -1.0 2.0
   63    62    61    59   1.10000 -1.0 2.0
   65    64    63    61   1.10000 -1.0 2.0
   66    55    65    63   4.00000 -1.0 2.0
   68    67    66    65   1.10000 -1.0 2.0
   70    69    68    66   1.10000 -1.0 2.0
   71    48    70    68   4.00000 -1.0 2.0
   43    72    71    70   1.10000 -1.0 2.0
   71    46    43    41   4.00000 -1.0 2.0
   70    55    48    42   4.00000 -1.0 2.0
   65    48    55    56   4.00000 -1.0 2.0
END
