* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    145    228     425
    1     0 S   NP   _N1_     1    28.70017    94.06649   -21.52664
    2     1 S   H    _HN1     2     1.02836    27.52986   151.90386
    3     1 S   H    _H1_     3     1.02777    91.23600   -79.50732
    4     1 S   H    _H2_     4     1.02957    92.67191    28.93916
    5     1 S   CT   _CA1     5     1.50133   138.23970   154.10728
    6     5 S   HC   _HA1     6     1.09564   105.24272    58.07339
    7     5 S   CO3  _C1_     7     1.53885   112.39574   -62.20345
    8     7 S   O2Z  _O11     8     1.26371   114.98636   -40.97160
    9     7 S   O2Z  _O12     9     1.26226   115.03841   138.23437
   10     5 S   CT   _CB1    10     1.53132   107.42616   176.16697
   11    10 S   HC   HB11    11     1.09813   109.63732   -48.51338
   12    10 S   HC   HB12    12     1.09827   110.29107    68.20140
   13    10 S   CT   _CG1    13     1.52951   112.50977  -169.54520
   14    13 S   HC   HG11    14     1.09466   110.11096   -60.01168
   15    13 S   HC   HG12    15     1.09631   110.11590    59.00603
   16    13 S   C    _CD1    16     1.51831   112.45464   179.58457
   17    16 S   O    _OE1    17     1.22720   123.23754    -6.52738
   18    16 S   N    _N2_    18     1.38578   111.59813   173.56709
   19    18 S   H    _HN2    19     1.01660   118.90572     0.75199
   20    18 S   CT1  _CA2    20     1.46197   123.68676  -176.65110
   21    20 S   HC   _HA2    21     1.09731   109.30769   -12.47705
   22    20 S   C    _C2_    22     1.53421   108.49561  -128.22604
   23    22 S   O    _O2_    23     1.23025   122.20702  -147.26436
   24    20 S   CT   _CB2    32     1.53711   111.33934   109.52803
   25    24 S   HC   HB21    33     1.09299   109.52557    56.28423
   26    24 S   HC   HB22    34     1.09485   109.98444   174.82365
   27    22 S   N    _N3_    24     1.38505   113.41511    40.29090
   28    27 S   H    _HN3    25     1.01525   118.86535    -1.06386
   29    24 S   S    _SG2    35     1.82903   111.32437   -66.10456
   30    27 S   CT   _CA3    26     1.45451   123.51806   175.07956
   31    30 S   HC   HA31    27     1.09520   109.29276    23.11757
   32    30 S   HC   HA32    28     1.09498   107.10078   140.11094
   33    29 S   CT   _C11    36     1.86188   102.65127   159.80932
   34    30 S   CO3  _C3_    29     1.52926   113.10775  -100.41437
   35    34 S   O2Z  _O31    30     1.26408   115.41330   -44.85695
   36    34 S   O2Z  _O32    31     1.26363   114.99942   136.10529
   37    33 S   CT   _C12    37     1.57695   106.81817   167.19841
   38    37 S   HC   _H14    38     1.10054   107.78104   -60.46619
   39    37 S   HC   _H15    39     1.09952   108.25371  -173.31945
   40    33 S   CT   _C10    60     1.57519   114.81332   -69.08123
   41    40 S   HC   _H5_    61     1.09640   105.64595  -156.21113
   42    33 S   CT   _C15    72     1.55046   108.06085    54.44425
   43    42 S   HC   _H18    73     1.09445   113.05779   -65.10469
   44    42 S   HC   _H19    74     1.09689   110.40731   175.35569
   45    42 S   HC   _H20    75     1.09673   111.78442    56.29884
   46    37 S   CT   _C13    40     1.54059   120.72826    61.65287
   47    46 S   HC   _H16    41     1.09776   107.24343  -164.96610
   48    46 S   HC   _H17    42     1.09279   110.23979   -49.99070
   49    40 S   OH   _O34    62     1.43216   110.70127    91.11966
   50    49 S   HO   _H21    63     0.97205   107.95674   165.84586
   51    46 S   C3T  _C14    43     1.49713   113.68120    76.40979
   52    51 S   HC   _H6_    44     1.08124   113.71339    19.40325
   53    51 S   C3T  _C5_    45     1.52658   121.87596  -137.98766
   54    53 S   CT   _C6_    46     1.50496   116.97076   152.92042
   55    54 S   HC   _H10    47     1.09720   108.46234   147.91465
   56    54 S   HC   _H11    48     1.09741   110.70796    32.06566
   57    51 S   O3T  _O33    67     1.43571   116.14315   155.16050
   58    53 S   CT   _C4_    68     1.50241   123.03559    -6.64479
   59    58 S   HC   _H7_    69     1.09511   112.14786   -36.95042
   60    58 S   HC   _H8_    70     1.09501   110.40318  -156.25342
   61    58 S   HC   _H9_    71     1.09379   111.00638    83.85098
   62    54 S   CT   _C7_    49     1.53906   113.72478   -91.27977
   63    62 S   HC   _H12    50     1.09834   106.68300  -169.69010
   64    62 S   HC   _H13    51     1.09684   110.19614   -54.85833
   65    62 S   CT   _C8_    52     1.54588   114.25102    70.05609
   66    65 S   HC   _H3_    53     1.09594   109.01300    44.05194
   67    65 S   CM   _C17    54     1.49121   110.85185   166.57763
   68    67 S   CO4  _C16    55     1.47213   109.61875   101.18902
   69    68 S   O    _O36    56     1.21709   127.37499  -170.76890
   70    67 S   CM   _C18    64     1.33557   128.16629   -81.24772
   71    70 S   HC   _H22    65     1.08496   120.75997     1.47326
   72    70 S   HC   _H23    66     1.08512   121.72879  -178.76520
   73    68 S   OS   _O35    57     1.35948   106.88626     9.00335
   74    65 S   CT   _C9_    58     1.53633   113.24492   -81.15358
   75    74 S   HC   _H4_    59     1.08591   110.47771    17.25488
  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  13   5   4   3
  19   2   1   1  17   7   6  16   7   6   2   1   1   8   5   4
   5   1  11   4  12  14   7   6   5   4   2   1   1  10   5   4
  10   6   8   7   3   4   1   1   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    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    46    74    40    41    49    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    46    47    48    51    65    73    74    75    40    41    49    50    42    43    44    45  
   35    36  
   36  
    0  
   38    39    46    47    48    51    52    53    74    40    41    49    57    42    43    44    45  
   39    46    47    48    51    40    42  
   46    47    48    51    40    42  
   41    49    50    42    43    44    45    46    62    65    66    67    68    73    74    75  
   49    50    42    65    73    74    75  
   43    44    45    46    49    74  
   44    45  
   45  
    0  
   47    48    51    52    53    54    57    58  
   48    51    52    53    57  
   51    52    53    57  
   50    65    73    74    75  
   74  
   52    53    54    55    56    62    57    58    59    60    61  
   53    54    57    58  
   54    55    56    62    63    64    65    57    58    59    60    61  
   55    56    62    63    64    65    66    67    74    57    58    59    60    61  
   56    62    63    64    65    57    58  
   62    63    64    65    57    58  
   58    59    60    61    62  
   59    60    61    62  
   60    61  
   61  
    0  
   63    64    65    66    67    68    73    74    75    70  
   64    65    66    67    74  
   65    66    67    74  
   66    67    68    69    73    74    75    70    71    72  
   67    68    73    74    75    70  
   68    69    73    74    75    70    71    72  
   69    73    74    75    70    71    72  
   73    74    70  
   71    72    73    74  
   72  
    0  
   74    75  
   75  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   33    40   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   275.000  1.510
   51    52   340.000  1.088
   51    53   260.000  1.509
   51    57   335.000  1.432
   53    54   275.000  1.510
   53    57   335.000  1.432
   53    58   275.000  1.510
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    67   317.000  1.510
   65    74   268.000  1.529
   67    68   320.000  1.462
   67    70   549.000  1.340
   68    69   570.000  1.229
   68    73   214.000  1.327
   73    74   320.000  1.410
   74    75   340.000  1.090
   74    40   268.000  1.529
   40    41   340.000  1.090
   40    49   320.000  1.410
   49    50   553.000  0.945
   70    71   340.000  1.080
   70    72   340.000  1.080
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    46    58.35000  112.70000
   33    40    74    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    49    50.00000  109.50000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    37.50000  110.70000
   37    46    48    37.50000  110.70000
   37    46    51    70.00000  112.37300
   39    37    38    33.00000  107.80000
   46    37    38    37.50000  110.70000
   46    37    39    37.50000  110.70000
   46    51    52    40.00000  115.04500
   46    51    53    60.00000  120.94000
   46    51    57    80.00000  116.47100
   48    46    47    33.00000  107.80000
   51    46    47    45.00000  109.38400
   51    46    48    45.00000  109.38400
   51    53    54    60.00000  120.94000
   51    53    57    15.00000   60.43100
   51    53    58    60.00000  120.94000
   51    57    53    15.00000   59.14900
   53    51    52    37.50000  117.20000
   53    54    55    45.00000  109.38400
   53    54    56    45.00000  109.38400
   53    54    62    70.00000  112.37300
   53    58    59    45.00000  109.38400
   53    58    60    45.00000  109.38400
   53    58    61    45.00000  109.38400
   54    62    63    37.50000  110.70000
   54    62    64    37.50000  110.70000
   54    62    65    58.35000  112.70000
   56    54    55    33.00000  107.80000
   62    54    55    37.50000  110.70000
   62    54    56    37.50000  110.70000
   62    65    66    37.50000  110.70000
   62    65    67    70.00000  112.02700
   62    65    74    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    67    68    65.00000  116.34900
   65    67    70    70.00000  124.00000
   65    74    73    50.00000  109.50000
   65    74    75    37.50000  110.70000
   65    74    40    58.35000  112.70000
   67    65    66    35.00000  109.50000
   67    68    69    80.00000  123.72100
   67    68    73    90.00000  111.29400
   67    70    71    35.00000  120.00000
   67    70    72    35.00000  120.00000
   68    73    74    83.00000  116.90000
   73    68    69    83.00000  123.40000
   73    74    75    35.00000  109.50000
   73    74    40    50.00000  109.50000
   74    65    66    37.50000  110.70000
   74    65    67    70.00000  112.02700
   74    40    41    37.50000  110.70000
   74    40    49    50.00000  109.50000
   40    33    37    58.35000  112.70000
   40    74    75    37.50000  110.70000
   40    49    50    55.00000  108.50000
   49    40    41    35.00000  109.50000
   70    67    68    65.00000  118.96000
   72    70    71    35.00000  117.00000
   57    51    52    50.00000  114.27700
   57    51    53    15.00000   60.43100
   57    53    54    80.00000  116.47100
   58    53    54    58.35000  112.70000
   58    53    57    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
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    46   0.44750  1.0 1.0
   29    33    37    46  -0.17800 -1.0 2.0
   29    33    37    46   0.20200  1.0 3.0
   29    33    40    74   0.44750  1.0 1.0
   29    33    40    74  -0.17800 -1.0 2.0
   29    33    40    74   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    49   0.56750  1.0 1.0
   29    33    40    49  -0.07550 -1.0 2.0
   29    33    40    49   0.20000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    45   0.15000  1.0 3.0
   33    37    46    47   0.15000  1.0 3.0
   33    37    46    48   0.15000  1.0 3.0
   33    37    46    51   0.47050  1.0 1.0
   33    37    46    51   0.03900 -1.0 2.0
   33    37    46    51   0.20100  1.0 3.0
   33    40    49    50  -0.11600  1.0 1.0
   33    40    49    50  -0.09450 -1.0 2.0
   33    40    49    50   0.21250  1.0 3.0
   37    33    40    74   0.56750  1.0 1.0
   37    33    40    74  -0.07550 -1.0 2.0
   37    33    40    74   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    49   0.86500  1.0 1.0
   37    33    40    49  -0.17500 -1.0 2.0
   37    33    40    49   0.20800  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    45   0.15000  1.0 3.0
   37    46    51    52   0.15000  1.0 3.0
   37    46    51    53   0.07850  1.0 1.0
   37    46    51    53  -0.03950 -1.0 2.0
   37    46    51    53   0.67350  1.0 3.0
   37    46    51    57   0.02550  1.0 1.0
   37    46    51    57  -0.02600 -1.0 2.0
   37    46    51    57   1.20400  1.0 3.0
   38    37    46    47   0.15000  1.0 3.0
   38    37    46    48   0.15000  1.0 3.0
   38    37    46    51   0.15000  1.0 3.0
   39    37    46    47   0.15000  1.0 3.0
   39    37    46    48   0.15000  1.0 3.0
   39    37    46    51   0.15000  1.0 3.0
   46    51    53    54   0.56750  1.0 1.0
   46    51    53    54  -0.07550 -1.0 2.0
   46    51    53    54   0.20000  1.0 3.0
   46    51   -53    57   0.02550  1.0 1.0
   46    51   -53    57  -0.02600 -1.0 2.0
   46    51   -53    57   1.20400  1.0 3.0
   46    51    53    58   0.56750  1.0 1.0
   46    51    53    58  -0.07550 -1.0 2.0
   46    51    53    58   0.20000  1.0 3.0
   46    51   -57    53   0.06250  1.0 1.0
   46    51   -57    53  -0.01100 -1.0 2.0
   46    51   -57    53   0.28050  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    57   0.23400  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    46    51    57   0.23400  1.0 3.0
   51    53    54    55   0.15000  1.0 3.0
   51    53    54    56   0.15000  1.0 3.0
   51    53    54    62   0.07850  1.0 1.0
   51    53    54    62  -0.03950 -1.0 2.0
   51    53    54    62   0.67350  1.0 3.0
   51    53    58    59   0.15000  1.0 3.0
   51    53    58    60   0.15000  1.0 3.0
   51    53    58    61   0.15000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51   -53    57   0.23400  1.0 3.0
   52    51    53    58   0.15000  1.0 3.0
   52    51   -57    53   0.36800  1.0 3.0
   53    54    62    63   0.15000  1.0 3.0
   53    54    62    64   0.15000  1.0 3.0
   53    54    62    65   0.47050  1.0 1.0
   53    54    62    65   0.03900 -1.0 2.0
   53    54    62    65   0.20100  1.0 3.0
   54    53   -57    51   0.06250  1.0 1.0
   54    53   -57    51  -0.01100 -1.0 2.0
   54    53   -57    51   0.28050  1.0 3.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    60   0.15000  1.0 3.0
   54    53    58    61   0.15000  1.0 3.0
   54    62    65    66   0.15000  1.0 3.0
   54    62    65    67   0.34400  1.0 1.0
   54    62    65    67   0.09450 -1.0 2.0
   54    62    65    67   0.11100  1.0 3.0
   54    62    65    74   0.56750  1.0 1.0
   54    62    65    74  -0.07550 -1.0 2.0
   54    62    65    74   0.20000  1.0 3.0
   55    54    62    63   0.15000  1.0 3.0
   55    54    62    64   0.15000  1.0 3.0
   55    54    62    65   0.15000  1.0 3.0
   56    54    62    63   0.15000  1.0 3.0
   56    54    62    64   0.15000  1.0 3.0
   56    54    62    65   0.15000  1.0 3.0
   62    65    67    68   0.09700  1.0 1.0
   62    65    67    68   0.15600 -1.0 2.0
   62    65    67    68  -0.50800  1.0 3.0
   62    65    67    70   0.09850  1.0 1.0
   62    65    67    70   0.15250 -1.0 2.0
   62    65    67    70  -0.50650  1.0 3.0
   62    65    74    73   0.62750  1.0 1.0
   62    65    74    73  -0.30950 -1.0 2.0
   62    65    74    73   0.27300  1.0 3.0
   62    65    74    75   0.15000  1.0 3.0
   62    65    74    40   0.56750  1.0 1.0
   62    65    74    40  -0.07550 -1.0 2.0
   62    65    74    40   0.20000  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    74   0.15000  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    67   0.15000  1.0 3.0
   64    62    65    74   0.15000  1.0 3.0
   65    67    68    69  -0.64400  1.0 1.0
   65    67    68    69   0.26850 -1.0 2.0
   65    67   -68    73  -0.15000  1.0 1.0
   65    67   -68    73   0.89550 -1.0 2.0
   65    67   -68    73  -0.06900  1.0 3.0
   65    67    70    71   7.00000 -1.0 2.0
   65    67    70    72   7.00000 -1.0 2.0
   65    74    40    33   0.56750  1.0 1.0
   65    74    40    33  -0.07550 -1.0 2.0
   65    74    40    33   0.20000  1.0 3.0
   65    74    40    41   0.15000  1.0 3.0
   65    74    40    49   0.86500  1.0 1.0
   65    74    40    49  -0.17500 -1.0 2.0
   65    74    40    49   0.20800  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    70   0.00000  1.0 1.0
   66    65    74    73   0.23400  1.0 3.0
   66    65    74    75   0.15000  1.0 3.0
   66    65    74    40   0.15000  1.0 3.0
   67    65   -74    73   0.61850  1.0 1.0
   67    65   -74    73  -0.22750 -1.0 2.0
   67    65   -74    73   0.15300  1.0 3.0
   67    65    74    75   0.15000  1.0 3.0
   67    65    74    40   0.34400  1.0 1.0
   67    65    74    40   0.09450 -1.0 2.0
   67    65    74    40   0.11100  1.0 3.0
   67    68   -73    74   2.00000 -1.0 2.0
   68    67    70    71   7.00000 -1.0 2.0
   68    67    70    72   7.00000 -1.0 2.0
   68    73   -74    65  -0.25900  1.0 1.0
   68    73   -74    65  -0.47000 -1.0 2.0
   68    73   -74    65   0.11750  1.0 3.0
   68    73    74    75   0.08050  1.0 3.0
   68    73    74    40  -0.25900  1.0 1.0
   68    73    74    40  -0.47000 -1.0 2.0
   68    73    74    40   0.11750  1.0 3.0
   69    68    73    74   3.00000 -1.0 2.0
   73    74    40    33   0.62750  1.0 1.0
   73    74    40    33  -0.30950 -1.0 2.0
   73    74    40    33   0.27300  1.0 3.0
   73    74    40    41   0.23400  1.0 3.0
   73    74    40    49   3.69350  1.0 1.0
   73    74    40    49  -1.82950 -1.0 2.0
   74    65   -67    68   0.09700  1.0 1.0
   74    65   -67    68   0.15600 -1.0 2.0
   74    65   -67    68  -0.50800  1.0 3.0
   74    65    67    70   0.09850  1.0 1.0
   74    65    67    70   0.15250 -1.0 2.0
   74    65    67    70  -0.50650  1.0 3.0
   74    40    49    50  -0.11600  1.0 1.0
   74    40    49    50  -0.09450 -1.0 2.0
   74    40    49    50   0.21250  1.0 3.0
   75    74    40    33   0.15000  1.0 3.0
   75    74    40    41   0.15000  1.0 3.0
   75    74    40    49   0.23400  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    46   0.56750  1.0 1.0
   40    33    37    46  -0.07550 -1.0 2.0
   40    33    37    46   0.20000  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    45   0.15000  1.0 3.0
   41    40    49    50   0.19450  1.0 3.0
   70    67    68    69   1.00000 -1.0 2.0
   70    67    68    73  -0.56150  1.0 1.0
   70    67    68    73   2.19150 -1.0 2.0
   57    51   -53    54   0.02550  1.0 1.0
   57    51   -53    54  -0.02600 -1.0 2.0
   57    51   -53    54   1.20400  1.0 3.0
   57    51   -53    58   0.02550  1.0 1.0
   57    51   -53    58  -0.02600 -1.0 2.0
   57    51   -53    58   1.20400  1.0 3.0
   57    53    54    55   0.23400  1.0 3.0
   57    53    54    56   0.23400  1.0 3.0
   57    53    54    62   0.02550  1.0 1.0
   57    53    54    62  -0.02600 -1.0 2.0
   57    53    54    62   1.20400  1.0 3.0
   57    53    58    59   0.23400  1.0 3.0
   57    53    58    60   0.23400  1.0 3.0
   57    53    58    61   0.23400  1.0 3.0
   58    53    54    55   0.15000  1.0 3.0
   58    53    54    56   0.15000  1.0 3.0
   58    53    54    62   0.56750  1.0 1.0
   58    53    54    62  -0.07550 -1.0 2.0
   58    53    54    62   0.20000  1.0 3.0
   58    53   -57    51   0.06250  1.0 1.0
   58    53   -57    51  -0.01100 -1.0 2.0
   58    53   -57    51   0.28050  1.0 3.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    46   0.56750  1.0 1.0
   42    33    37    46  -0.07550 -1.0 2.0
   42    33    37    46   0.20000  1.0 3.0
   42    33    40    74   0.56750  1.0 1.0
   42    33    40    74  -0.07550 -1.0 2.0
   42    33    40    74   0.20000  1.0 3.0
   42    33    40    41   0.15000  1.0 3.0
   42    33    40    49   0.86500  1.0 1.0
   42    33    40    49  -0.17500 -1.0 2.0
   42    33    40    49   0.20800  1.0 3.0
IPHI
    8     5     7     9  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
   35    30    34    36  10.50000 -1.0 2.0
   65    68    67    70   1.10000 -1.0 2.0
   67    73    68    69  10.50000 -1.0 2.0
   71    72    70    67   1.10000 -1.0 2.0
END
