* LIGAND DATABASE FILE (OPLS2005)
*
001      73    74    130    202     384
    1     0 S   NP   _N1_     1    28.66519    95.75961   -23.45498
    2     1 S   H    _HN1     2     1.02950    77.99516     9.95602
    3     1 S   H    _H1_     3     1.02829    32.41308   163.45068
    4     1 S   H    _H2_     4     1.02786   104.64372   -96.14314
    5     1 S   CT   _CA1     5     1.50110   136.22796   117.02179
    6     5 S   HC   _HA1     6     1.09572   105.20227    83.76547
    7     5 S   CO3  _C1_     7     1.53789   112.46345   -36.48911
    8     7 S   O2Z  _O11     8     1.26373   115.00556   -42.54718
    9     7 S   O2Z  _O12     9     1.26240   114.94985   136.61106
   10     5 S   CT   _CB1    10     1.53082   107.42903  -158.23455
   11    10 S   HC   HB11    11     1.09833   109.38810   -49.66079
   12    10 S   HC   HB12    12     1.09813   110.43968    66.95060
   13    10 S   CT   _CG1    13     1.52993   112.60198  -170.63513
   14    13 S   HC   HG11    14     1.09581   110.63344   -65.40937
   15    13 S   HC   HG12    15     1.09670   109.78663    53.82289
   16    13 S   C    _CD1    16     1.51799   112.22901   174.29491
   17    16 S   O    _OE1    17     1.22729   123.28610     6.93610
   18    16 S   N    _N2_    18     1.38660   111.67641  -173.20881
   19    18 S   H    _HN2    19     1.01581   118.92682     1.82285
   20    18 S   CT1  _CA2    20     1.46196   123.37290   177.46812
   21    20 S   HC   _HA2    21     1.09738   109.38704     2.40778
   22    20 S   C    _C2_    22     1.53564   108.53824  -113.06515
   23    22 S   O    _O2_    23     1.23058   122.28956  -147.48337
   24    20 S   CT   _CB2    32     1.53452   111.70597   124.43153
   25    24 S   HC   HB21    33     1.09535   109.69665    55.96381
   26    24 S   HC   HB22    34     1.09365   109.70885   174.67697
   27    22 S   N    _N3_    24     1.38329   113.69837    39.89401
   28    27 S   H    _HN3    25     1.01586   119.60631    -3.23803
   29    24 S   S    _SG2    35     1.83130   111.25592   -64.18517
   30    27 S   CT   _CA3    26     1.45292   123.20572   177.16994
   31    30 S   HC   HA31    27     1.09549   107.49704   -64.85589
   32    30 S   HC   HA32    28     1.09557   107.99684    51.58038
   33    29 S   CT   _C15    36     1.86359   102.33636  -162.45162
   34    30 S   CO3  _C3_    29     1.52961   114.08930   173.58510
   35    34 S   O2Z  _O31    30     1.26376   116.07354    -0.79179
   36    34 S   O2Z  _O32    31     1.26431   114.41190   179.27422
   37    33 S   CO4  _C11    37     1.52981   110.08045    63.25924
   38    37 S   O    _O18    38     1.22838   123.28041    20.91068
   39    33 S   CT   _C19    56     1.56659   108.85828  -177.81770
   40    39 S   HC   _H36    57     1.09683   108.79153  -177.16234
   41    37 S   CA   _C7_    39     1.49305   117.55230  -162.57364
   42    39 S   CT   _C18    58     1.54279   115.67988   -55.78480
   43    42 S   HC   _H34    59     1.09694   110.73457    77.11861
   44    42 S   HC   _H35    60     1.09303   111.42451   -41.11546
   45    39 S   OH   _O21    72     1.43289   109.85944    67.69017
   46    45 S   HO   _H39    73     0.97343   107.35062   -60.89459
   47    41 S   CA   _C6_    40     1.40645   120.32118    14.21970
   48    42 S   CM   _C12    61     1.50738   111.23618  -164.36843
   49    48 S   HC   _H25    62     1.08933   114.40330   -82.39366
   50    47 S   CA   _C8_    41     1.40538   119.44327  -177.51423
   51    47 S   CO4  _C10    51     1.48686   120.00590     3.29372
   52    51 S   O    _O17    52     1.22708   120.98513  -172.09992
   53    48 S   CM   _C13    63     1.34681   127.18826    98.22147
   54    50 S   CA   _C4_    42     1.39405   120.75486    -0.53339
   55    54 S   HA   _H23    43     1.08686   120.41718  -179.84423
   56    50 S   OH   _O19    49     1.36932   123.59581   179.86878
   57    56 S   HO   _H37    50     0.97378   109.08556    -2.17709
   58    33 S   CT   _C14    53     1.53255   108.84741   -55.70733
   59    58 S   HC   _H26    54     1.09598   112.67242    57.98083
   60    58 S   HC   _H27    55     1.09652   111.26170   -62.92887
   61    53 S   CT   _C16    64     1.50519   120.54593   178.68895
   62    61 S   HC   _H28    65     1.09494   110.28656   119.12444
   63    61 S   HC   _H29    66     1.09496   110.20474  -121.05451
   64    61 S   HC   _H30    67     1.09511   112.38967    -1.00814
   65    53 S   CT   _C17    68     1.50316   124.94829    -2.17538
   66    65 S   HC   _H31    69     1.09476   110.11252   114.83573
   67    65 S   HC   _H32    70     1.09226   113.46520    -6.21956
   68    65 S   HC   _H33    71     1.09539   110.05737  -125.79751
   69    54 S   CA   _C5_    44     1.39021   119.89600     0.05234
   70    69 S   HA   _H24    45     1.08693   119.65706   179.96044
   71    41 S   CA   _C9_    46     1.40616   120.55007  -163.97354
   72    71 S   OH   _O20    47     1.36953   123.65975    -1.36888
   73    72 S   HO   _H38    48     0.97371   109.07987    -3.26243
  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  12   5   4   3
  18   2   1   1  15   5  14   7  12  10   5   4   3   1  13  10
   3  10   7   3   8   7   4   2   1   2   1   1   7   3   2   1
   3   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    58    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    51    58    59    60    39    40    42    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    47    71    51    52    58    59    60    39    40    42    43    44    48    45    46  
   35    36  
   36  
    0  
   38    41    47    50    69    71    72    51    58    59    60    39    40    42    45  
   41    47    71    58    39  
   40    42    43    44    48    49    53    45    46    41    51    58    59    60  
   42    43    44    48    45    46    58  
   47    50    54    69    70    71    72    73    56    51    52    58  
   43    44    48    49    53    61    65    45    46    58  
   44    48    49    53    45  
   48    49    53    45  
   46    48    58  
    0  
   50    54    55    69    71    72    56    57    51    52    58    59    60  
   49    53    61    62    63    64    65    66    67    68  
   53    61    65  
   54    55    69    70    71    56    57    51    52    58  
   52    58    59    60    54    56    71  
   58    59    60  
   61    62    63    64    65    66    67    68  
   55    69    70    71    72    56    57  
   69    70    71    56  
   57    69  
    0  
   59    60  
   60  
    0  
   62    63    64    65    66    67    68  
   63    64    65  
   64    65  
   65  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72    73  
   71    72  
   72    73  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   51   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.522
   33    58   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    41   310.000  1.470
   41    47   469.000  1.400
   41    71   469.000  1.400
   47    50   469.000  1.400
   47    51   310.000  1.470
   50    54   469.000  1.400
   50    56   450.000  1.364
   54    55   367.000  1.080
   54    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   450.000  1.364
   72    73   553.000  0.945
   56    57   553.000  0.945
   51    52   570.000  1.229
   51    58   317.000  1.522
   58    59   340.000  1.090
   58    60   340.000  1.090
   39    40   340.000  1.090
   39    42   268.000  1.529
   39    45   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    48   317.000  1.510
   48    49   340.000  1.080
   48    53   549.000  1.340
   53    61   317.000  1.510
   53    65   317.000  1.510
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   45    46   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  110.18000
   29    33    58    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  115.47100
   33    58    51    63.00000  111.10000
   33    58    59    37.50000  110.70000
   33    58    60    37.50000  110.70000
   33    39    40    37.50000  110.70000
   33    39    42    58.35000  112.70000
   33    39    45    50.00000  109.50000
   37    41    47    60.00000  119.52600
   37    41    71    60.00000  119.52600
   41    37    38    75.00000  123.78400
   41    47    50    63.00000  120.00000
   41    47    51    60.00000  119.52600
   41    71    69    63.00000  120.00000
   41    71    72    70.00000  120.00000
   47    50    54    63.00000  120.00000
   47    50    56    70.00000  120.00000
   47    51    52    75.00000  123.78400
   47    51    58    65.00000  115.47100
   50    54    55    35.00000  120.00000
   50    54    69    63.00000  120.00000
   50    56    57    35.00000  113.00000
   54    69    70    35.00000  120.00000
   54    69    71    63.00000  120.00000
   69    54    55    35.00000  120.00000
   69    71    72    70.00000  120.00000
   71    41    47    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    72    73    35.00000  113.00000
   56    50    54    70.00000  120.00000
   51    47    50    60.00000  119.52600
   51    58    59    35.00000  109.50000
   51    58    60    35.00000  109.50000
   58    33    37    63.00000  111.10000
   58    51    52    80.00000  120.40000
   60    58    59    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    33    58    58.35000  112.70000
   39    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   39    42    48    70.00000  112.02700
   39    45    46    55.00000  108.50000
   42    39    40    37.50000  110.70000
   42    48    49    35.00000  117.00000
   42    48    53    70.00000  124.00000
   44    42    43    33.00000  107.80000
   48    42    43    35.00000  109.50000
   48    42    44    35.00000  109.50000
   48    53    61    70.00000  124.00000
   48    53    65    70.00000  124.00000
   53    48    49    35.00000  120.00000
   53    61    62    35.00000  109.50000
   53    61    63    35.00000  109.50000
   53    61    64    35.00000  109.50000
   53    65    66    35.00000  109.50000
   53    65    67    35.00000  109.50000
   53    65    68    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   65    53    61    65.00000  117.92700
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   45    39    40    35.00000  109.50000
   45    39    42    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    37    38   0.30150 -1.0 2.0
   29    33    37    41   0.65300  1.0 1.0
   29    33    37    41  -0.03850 -1.0 2.0
   29    33    37    41   0.33900  1.0 3.0
   29    33    58    51   0.56750  1.0 1.0
   29    33    58    51  -0.07550 -1.0 2.0
   29    33    58    51   0.20000  1.0 3.0
   29    33    58    59   0.15000  1.0 3.0
   29    33    58    60   0.15000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    42   0.44750  1.0 1.0
   29    33    39    42  -0.17800 -1.0 2.0
   29    33    39    42   0.20200  1.0 3.0
   29    33    39    45   0.56750  1.0 1.0
   29    33    39    45  -0.07550 -1.0 2.0
   29    33    39    45   0.20000  1.0 3.0
   33    37    41    47   2.26350  1.0 1.0
   33    37    41    47   0.76750 -1.0 2.0
   33    37    41    47   0.22500  1.0 3.0
   33    37    41    71   2.26350  1.0 1.0
   33    37    41    71   0.76750 -1.0 2.0
   33    37    41    71   0.22500  1.0 3.0
   33    39    42    43   0.15000  1.0 3.0
   33    39    42    44   0.15000  1.0 3.0
   33    39    42    48   0.34400  1.0 1.0
   33    39    42    48   0.09450 -1.0 2.0
   33    39    42    48   0.11100  1.0 3.0
   33    39    45    46  -0.11600  1.0 1.0
   33    39    45    46  -0.09450 -1.0 2.0
   33    39    45    46   0.21250  1.0 3.0
   37    33    58    51   0.11950  1.0 1.0
   37    33    58    51   0.20300 -1.0 2.0
   37    33    58    51  -0.70800  1.0 3.0
   37    33    58    59  -0.11250  1.0 3.0
   37    33    58    60  -0.11250  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    42  -0.95700  1.0 1.0
   37    33    39    42  -0.18200 -1.0 2.0
   37    33    39    42   0.29450  1.0 3.0
   37    33    39    45  -0.09450  1.0 1.0
   37    33    39    45  -1.12950 -1.0 2.0
   37    33    39    45   0.54000  1.0 3.0
   37    41    47    50   3.62500 -1.0 2.0
   37    41   -47    51   3.62500 -1.0 2.0
   37    41    71    69   3.62500 -1.0 2.0
   37    41    71    72   3.62500 -1.0 2.0
   38    37    41    47   1.05000 -1.0 2.0
   38    37    41    71   1.05000 -1.0 2.0
   41    47    50    54   3.62500 -1.0 2.0
   41    47    50    56   3.62500 -1.0 2.0
   41    47    51    52   1.05000 -1.0 2.0
   41    47    51    58   2.26350  1.0 1.0
   41    47    51    58   0.76750 -1.0 2.0
   41    47    51    58   0.22500  1.0 3.0
   41    71    72    73   0.84100 -1.0 2.0
   47    41    71    69   3.62500 -1.0 2.0
   47    41    71    72   3.62500 -1.0 2.0
   47    50    54    55   3.62500 -1.0 2.0
   47    50   -54    69   3.62500 -1.0 2.0
   47    50    56    57   0.84100 -1.0 2.0
   47    51   -58    33   0.05850 -1.0 2.0
   47    51   -58    33   0.17250  1.0 3.0
   47    51    58    59   0.00000  1.0 1.0
   47    51    58    60   0.00000  1.0 1.0
   50    47    51    52   1.05000 -1.0 2.0
   50    47    51    58   2.26350  1.0 1.0
   50    47    51    58   0.76750 -1.0 2.0
   50    47    51    58   0.22500  1.0 3.0
   50    54    69    70   3.62500 -1.0 2.0
   50    54    69    71   3.62500 -1.0 2.0
   54    50    56    57   0.84100 -1.0 2.0
   54    69   -71    41   3.62500 -1.0 2.0
   54    69    71    72   3.62500 -1.0 2.0
   55    54    69    70   3.62500 -1.0 2.0
   55    54    69    71   3.62500 -1.0 2.0
   69    71    72    73   0.84100 -1.0 2.0
   70    69    71    41   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   71    41   -47    50   3.62500 -1.0 2.0
   71    41    47    51   3.62500 -1.0 2.0
   56    50    54    55   3.62500 -1.0 2.0
   56    50    54    69   3.62500 -1.0 2.0
   51    47    50    54   3.62500 -1.0 2.0
   51    47    50    56   3.62500 -1.0 2.0
   52    51    58    33   0.30150 -1.0 2.0
   52    51    58    59   0.00000  1.0 1.0
   52    51    58    60   0.00000  1.0 1.0
   58    33    37    38   0.30150 -1.0 2.0
   58    33   -37    41   0.05850 -1.0 2.0
   58    33   -37    41   0.17250  1.0 3.0
   58    33    39    40   0.15000  1.0 3.0
   58    33    39    42   0.56750  1.0 1.0
   58    33    39    42  -0.07550 -1.0 2.0
   58    33    39    42   0.20000  1.0 3.0
   58    33    39    45   0.86500  1.0 1.0
   58    33    39    45  -0.17500 -1.0 2.0
   58    33    39    45   0.20800  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    41   0.05850 -1.0 2.0
   39    33    37    41   0.17250  1.0 3.0
   39    33    58    51  -0.95700  1.0 1.0
   39    33    58    51  -0.18200 -1.0 2.0
   39    33    58    51   0.29450  1.0 3.0
   39    33    58    59   0.15000  1.0 3.0
   39    33    58    60   0.15000  1.0 3.0
   39    42    48    49   0.00000  1.0 1.0
   39    42    48    53   0.09850  1.0 1.0
   39    42    48    53   0.15250 -1.0 2.0
   39    42    48    53  -0.50650  1.0 3.0
   40    39    42    43   0.15000  1.0 3.0
   40    39    42    44   0.15000  1.0 3.0
   40    39    42    48   0.15000  1.0 3.0
   40    39    45    46   0.19450  1.0 3.0
   42    39    45    46  -0.11600  1.0 1.0
   42    39    45    46  -0.09450 -1.0 2.0
   42    39    45    46   0.21250  1.0 3.0
   42    48    53    61   7.00000 -1.0 2.0
   42    48    53    65   7.00000 -1.0 2.0
   43    42    48    49   0.33100  1.0 3.0
   43    42    48    53   0.00000  1.0 1.0
   44    42    48    49   0.33100  1.0 3.0
   44    42    48    53   0.00000  1.0 1.0
   48    53    61    62   0.00000  1.0 1.0
   48    53    61    63   0.00000  1.0 1.0
   48    53    61    64   0.00000  1.0 1.0
   48    53    65    66   0.00000  1.0 1.0
   48    53    65    67   0.00000  1.0 1.0
   48    53    65    68   0.00000  1.0 1.0
   49    48    53    61   7.00000 -1.0 2.0
   49    48    53    65   7.00000 -1.0 2.0
   61    53    65    66   0.34800  1.0 3.0
   61    53    65    67   0.34800  1.0 3.0
   61    53    65    68   0.34800  1.0 3.0
   65    53    61    62   0.34800  1.0 3.0
   65    53    61    63   0.34800  1.0 3.0
   65    53    61    64   0.34800  1.0 3.0
   45    39    42    43   0.23400  1.0 3.0
   45    39    42    44   0.23400  1.0 3.0
   45    39    42    48   1.05650  1.0 1.0
   45    39    42    48   0.15600 -1.0 2.0
   45    39    42    48   0.53150  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
   36    30    34    35  10.50000 -1.0 2.0
   33    41    37    38  10.50000 -1.0 2.0
   47    71    41    37   4.00000 -1.0 2.0
   50    51    47    41   4.00000 -1.0 2.0
   54    56    50    47   4.00000 -1.0 2.0
   69    55    54    50   1.10000 -1.0 2.0
   71    70    69    54   1.10000 -1.0 2.0
   69    72    71    41   4.00000 -1.0 2.0
   47    58    51    52  10.50000 -1.0 2.0
   42    49    48    53  15.00000 -1.0 2.0
   61    65    53    48  15.00000 -1.0 2.0
END
