* LIGAND DATABASE FILE (OPLS2005)
*
001      73    74    128    203     382
    1     0 S   NP   _N1_     1    28.89518    98.91413   -19.89160
    2     1 S   H    _HN1     2     1.02778    98.40371  -112.92315
    3     1 S   H    _H1_     3     1.02958    57.30938    -6.47666
    4     1 S   H    _H2_     4     1.02831    56.40378   141.12004
    5     1 S   CT   _CA1     5     1.50179   149.33352    67.75802
    6     5 S   HC   _HA1     6     1.09585   105.10783   117.66458
    7     5 S   CO3  _C1_     7     1.53636   112.40164    -2.24298
    8     7 S   O2Z  _O11     8     1.26341   115.02407   -42.45415
    9     7 S   O2Z  _O12     9     1.26307   114.95942   136.48628
   10     5 S   CT   _CB1    10     1.53089   107.36123  -124.62834
   11    10 S   HC   HB11    11     1.09835   108.91501   -51.24811
   12    10 S   HC   HB12    12     1.09806   110.57909    65.16502
   13    10 S   CT   _CG1    13     1.53095   112.86845  -172.37867
   14    13 S   HC   HG11    14     1.09535   110.51840   -72.41307
   15    13 S   HC   HG12    15     1.09659   109.70197    46.89819
   16    13 S   C    _CD1    16     1.51877   112.09869   167.04344
   17    16 S   O    _OE1    17     1.22814   123.09723    10.86700
   18    16 S   N    _N2_    18     1.38657   112.11570  -168.59621
   19    18 S   H    _HN2    19     1.01631   119.05639    -0.33102
   20    18 S   CT1  _CA2    20     1.45818   122.30239   173.24425
   21    20 S   HC   _HA2    21     1.09729   108.76335    31.36124
   22    20 S   C    _C2_    22     1.53071   106.79196   -85.56012
   23    22 S   O    _O2_    23     1.22984   123.08468   -28.07524
   24    20 S   CT   _CB2    32     1.53079   112.86693   155.10961
   25    24 S   HC   HB21    33     1.09505   110.29878    54.81505
   26    24 S   HC   HB22    34     1.09559   110.25729   172.41418
   27    22 S   N    _N3_    24     1.38504   112.54235   154.68722
   28    27 S   H    _HN3    25     1.01651   120.34825    -2.23108
   29    24 S   S    _SG2    35     1.82615   111.61539   -69.05550
   30    27 S   CT   _CA3    26     1.45351   122.50319   178.57770
   31    30 S   HC   HA31    27     1.09566   107.83203   -55.40548
   32    30 S   HC   HA32    28     1.09561   107.59651    60.93854
   33    29 S   CT   _C10    36     1.84049   100.01291   118.54141
   34    33 S   HC   _H3_    37     1.09446   104.60531   -50.35274
   35    30 S   CO3  _C3_    29     1.52893   114.30098  -177.31438
   36    35 S   O2Z  _O31    30     1.26340   116.05034     0.19383
   37    35 S   O2Z  _O32    31     1.26434   114.41467  -179.84677
   38    33 S   CA   _C9_    38     1.51985   113.16258    67.81349
   39    33 S   CM   _C11    50     1.51350   108.38328  -167.98238
   40    39 S   HC   _H11    51     1.09167   115.51632   -60.03146
   41    38 S   CA   _C4_    39     1.40517   119.28133  -127.14942
   42    41 S   HA   _H7_    40     1.08754   120.36621     0.75329
   43    39 S   CMA  _C12    52     1.35561   126.72617   120.71695
   44    43 S   OM   _O33    53     1.26768   123.61070   179.82983
   45    41 S   CA   _C5_    41     1.39563   120.86871  -178.98741
   46    45 S   HA   _H8_    42     1.08642   119.73265   179.81869
   47    43 S   OS   _O34    54     1.41348   111.28599    -1.14055
   48    45 S   CA   _C6_    43     1.39042   119.60285     0.21850
   49    47 S   CT   _C13    55     1.43777   118.05259   153.80483
   50    49 S   HC   _H4_    56     1.09699   109.86780    42.25433
   51    48 S   CA   _C7_    44     1.39200   120.69664     0.24708
   52    51 S   HA   _H9_    45     1.08591   120.99576   179.57479
   53    48 S   OH   _O39    48     1.36624   118.25476  -179.95577
   54    53 S   HO   _H17    49     0.97218   108.51585  -178.98471
   55    49 S   CT   _C14    57     1.54173   110.44819   -80.05863
   56    55 S   HC   _H12    58     1.09731   108.59666   161.36982
   57    55 S   HC   _H13    59     1.09600   109.90957    44.00823
   58    38 S   CA   _C8_    46     1.40562   122.24656    54.71208
   59    58 S   HA   _H10    47     1.08738   120.50477    -0.66057
   60    55 S   CM   _C15    60     1.51201   114.13907   -78.45178
   61    60 S   CM   _C16    61     1.34364   123.03665   -12.47082
   62    61 S   HC   _H14    62     1.08708   120.35368   179.00005
   63    60 S   CO3  _C19    71     1.54488   117.91462   166.80723
   64    63 S   O2Z  _O38    72     1.26480   116.08794  -148.31900
   65    63 S   O2Z  _O37    73     1.26536   114.93952    31.59278
   66    61 S   CT   _C17    63     1.50150   123.39016    -1.46099
   67    66 S   HC   _H5_    64     1.09602   109.78168  -135.37333
   68    49 S   CT   _C18    65     1.53818   108.40333   159.80192
   69    68 S   HC   _H6_    66     1.09827   107.79553  -177.63181
   70    66 S   OH   _O36    69     1.42708   108.30991   108.51879
   71    70 S   HO   _H16    70     0.97216   107.41800    53.53761
   72    68 S   OH   _O35    67     1.42521   109.59335   -61.85447
   73    72 S   HO   _H15    68     0.97513   107.76863   174.54034
  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   8   5   4   3
  13   6   2   1   1  12   7   3   8   4   6   2   7   3  10   6
  14   8   5   3   2   1  12   5   4   1   1   9  11   5   3   1
   1   7   5   5   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    58    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    51    58    59    39    40    43    44    47  
   38    41    58    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    51    52    58    59    39    40    43  
   40    43    44    47    49    41    58  
   43    44    47  
   42    45    46    48    51    58    59    53  
   45    46    48    58  
   44    47    49    50    55    68  
   47    49  
   46    48    51    52    58    53    54  
   48    51    53  
   49    50    55    56    57    60    66    68    69    72  
   51    52    58    59    53    54  
   50    55    56    57    60    61    66    67    68    69    72    73    70    63  
   55    56    57    60    66    68    69    72  
   52    58    59    53    54  
   58    59    53  
   54    58  
    0  
   56    57    60    61    62    66    68    69    72    63    64    65  
   57    60    61    68    63  
   60    61    68    63  
   59  
    0  
   61    62    66    67    68    70    63    64    65  
   62    66    67    68    69    72    70    71    63    64    65  
   66    67    68    70    63  
   64    65    66  
   65  
    0  
   67    68    69    72    73    70    71  
   68    69    72    70    71  
   69    72    73    70    71  
   72    73    70  
   71    72  
    0  
   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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0760  -0.310300   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    58   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    51   469.000  1.400
   48    53   450.000  1.364
   51    52   367.000  1.080
   51    58   469.000  1.400
   58    59   367.000  1.080
   53    54   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   440.000  1.360
   47    49   320.000  1.410
   49    50   340.000  1.090
   49    55   268.000  1.529
   49    68   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   317.000  1.510
   60    61   549.000  1.340
   60    63   230.000  1.545
   61    62   340.000  1.080
   61    66   317.000  1.510
   66    67   340.000  1.090
   66    68   268.000  1.529
   66    70   320.000  1.410
   68    69   340.000  1.090
   68    72   320.000  1.410
   72    73   553.000  0.945
   70    71   553.000  0.945
   63    64   656.000  1.250
   63    65   656.000  1.250
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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    58    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    58    51    63.00000  120.00000
   38    58    59    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    51    63.00000  120.00000
   45    48    53    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    51    52    35.00000  120.00000
   48    51    58    63.00000  120.00000
   48    53    54    35.00000  113.00000
   51    58    59    35.00000  120.00000
   58    38    41    63.00000  120.00000
   58    51    52    35.00000  120.00000
   53    48    51    70.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    80.00000  120.01400
   43    39    40    40.00000  120.50800
   43    47    49    90.00000  111.18400
   47    43    44    65.00000  121.00000
   47    49    50    35.00000  109.50000
   47    49    55    50.00000  109.50000
   47    49    68    50.00000  109.50000
   49    55    56    37.50000  110.70000
   49    55    57    37.50000  110.70000
   49    55    60    70.00000  112.02700
   49    68    66    58.35000  112.70000
   49    68    69    37.50000  110.70000
   49    68    72    50.00000  109.50000
   55    49    50    37.50000  110.70000
   55    60    61    70.00000  124.00000
   55    60    63    65.00000  117.04000
   57    55    56    33.00000  107.80000
   60    55    56    35.00000  109.50000
   60    55    57    35.00000  109.50000
   60    61    62    35.00000  120.00000
   60    61    66    70.00000  124.00000
   60    63    64    85.00000  113.83300
   60    63    65    85.00000  113.83300
   61    66    67    35.00000  109.50000
   61    66    68    70.00000  112.02700
   61    66    70    90.00000  110.39200
   66    61    62    35.00000  117.00000
   66    68    69    37.50000  110.70000
   66    68    72    50.00000  109.50000
   66    70    71    55.00000  108.50000
   68    49    50    37.50000  110.70000
   68    49    55    58.35000  112.70000
   68    66    67    37.50000  110.70000
   68    72    73    55.00000  108.50000
   72    68    69    35.00000  109.50000
   70    66    67    35.00000  109.50000
   70    66    68    50.00000  109.50000
   63    60    61    55.00000  124.75400
   65    63    64    80.00000  126.00000
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    58  -0.16000  1.0 1.0
   29    33    38    58  -0.03200 -1.0 2.0
   29    33    38    58   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    58    51   3.62500 -1.0 2.0
   33    38    58    59   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    58   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    58    51   3.62500 -1.0 2.0
   41    38    58    59   3.62500 -1.0 2.0
   41    45   -48    51   3.62500 -1.0 2.0
   41    45    48    53   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    51    52   3.62500 -1.0 2.0
   45    48    51    58   3.62500 -1.0 2.0
   45    48    53    54   0.84100 -1.0 2.0
   46    45    48    51   3.62500 -1.0 2.0
   46    45    48    53   3.62500 -1.0 2.0
   48    51   -58    38   3.62500 -1.0 2.0
   48    51    58    59   3.62500 -1.0 2.0
   51    48    53    54   0.84100 -1.0 2.0
   52    51    58    38   3.62500 -1.0 2.0
   52    51    58    59   3.62500 -1.0 2.0
   58    38    41    42   3.62500 -1.0 2.0
   58    38   -41    45   3.62500 -1.0 2.0
   53    48    51    52   3.62500 -1.0 2.0
   53    48    51    58   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    58   0.18050 -1.0 2.0
   39    43    47    49  -2.26850  1.0 1.0
   39    43    47    49   3.39050 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    49    50   0.08050  1.0 3.0
   43    47    49    55  -0.46850  1.0 1.0
   43    47    49    55   0.09300 -1.0 2.0
   43    47    49    55  -0.12850  1.0 3.0
   43    47    49    68  -0.46850  1.0 1.0
   43    47    49    68   0.09300 -1.0 2.0
   43    47    49    68  -0.12850  1.0 3.0
   44    43    47    49   2.00000 -1.0 2.0
   47    49    55    56   0.23400  1.0 3.0
   47    49    55    57   0.23400  1.0 3.0
   47    49    55    60   0.61850  1.0 1.0
   47    49    55    60  -0.22750 -1.0 2.0
   47    49    55    60   0.15300  1.0 3.0
   47    49    68    66   0.62750  1.0 1.0
   47    49    68    66  -0.30950 -1.0 2.0
   47    49    68    66   0.27300  1.0 3.0
   47    49    68    69   0.23400  1.0 3.0
   47    49    68    72   3.69350  1.0 1.0
   47    49    68    72  -1.82950 -1.0 2.0
   49    55    60    61   0.09850  1.0 1.0
   49    55    60    61   0.15250 -1.0 2.0
   49    55    60    61  -0.50650  1.0 3.0
   49    55    60    63   0.09700  1.0 1.0
   49    55    60    63   0.15600 -1.0 2.0
   49    55    60    63  -0.50800  1.0 3.0
   49    68    72    73  -0.11600  1.0 1.0
   49    68    72    73  -0.09450 -1.0 2.0
   49    68    72    73   0.21250  1.0 3.0
   50    49    55    56   0.15000  1.0 3.0
   50    49    55    57   0.15000  1.0 3.0
   50    49    55    60   0.15000  1.0 3.0
   50    49    68    66   0.15000  1.0 3.0
   50    49    68    69   0.15000  1.0 3.0
   50    49    68    72   0.23400  1.0 3.0
   55    49    68    66   0.56750  1.0 1.0
   55    49    68    66  -0.07550 -1.0 2.0
   55    49    68    66   0.20000  1.0 3.0
   55    49    68    69   0.15000  1.0 3.0
   55    49    68    72   0.86500  1.0 1.0
   55    49    68    72  -0.17500 -1.0 2.0
   55    49    68    72   0.20800  1.0 3.0
   55    60    61    62   7.00000 -1.0 2.0
   55    60   -61    66   7.00000 -1.0 2.0
   55    60    63    64  -0.64400  1.0 1.0
   55    60    63    64   0.26850 -1.0 2.0
   55    60    63    65  -0.64400  1.0 1.0
   55    60    63    65   0.26850 -1.0 2.0
   56    55    60    61   0.00000  1.0 1.0
   56    55    60    63   0.15000  1.0 3.0
   57    55    60    61   0.00000  1.0 1.0
   57    55    60    63   0.15000  1.0 3.0
   60    61    66    67   0.00000  1.0 1.0
   60    61    66    68   0.09850  1.0 1.0
   60    61    66    68   0.15250 -1.0 2.0
   60    61    66    68  -0.50650  1.0 3.0
   60    61    66    70   0.67800  1.0 1.0
   60    61    66    70   0.47050 -1.0 2.0
   60    61    66    70  -0.62500  1.0 3.0
   61    60    63    64  -0.04000 -1.0 2.0
   61    60    63    64  -0.29050  1.0 3.0
   61    60    63    65  -0.04000 -1.0 2.0
   61    60    63    65  -0.29050  1.0 3.0
   61    66   -68    49   0.34400  1.0 1.0
   61    66   -68    49   0.09450 -1.0 2.0
   61    66   -68    49   0.11100  1.0 3.0
   61    66    68    69   0.15000  1.0 3.0
   61    66    68    72   1.05650  1.0 1.0
   61    66    68    72   0.15600 -1.0 2.0
   61    66    68    72   0.53150  1.0 3.0
   61    66    70    71  -0.07800  1.0 1.0
   61    66    70    71  -0.21500 -1.0 2.0
   61    66    70    71  -0.03150  1.0 3.0
   62    61    66    67   0.33100  1.0 3.0
   62    61    66    68   0.00000  1.0 1.0
   62    61    66    70   0.00000  1.0 1.0
   66    68    72    73  -0.11600  1.0 1.0
   66    68    72    73  -0.09450 -1.0 2.0
   66    68    72    73   0.21250  1.0 3.0
   67    66    68    49   0.15000  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    72   0.23400  1.0 3.0
   67    66    70    71   0.19450  1.0 3.0
   68    49    55    56   0.15000  1.0 3.0
   68    49    55    57   0.15000  1.0 3.0
   68    49   -55    60   0.34400  1.0 1.0
   68    49   -55    60   0.09450 -1.0 2.0
   68    49   -55    60   0.11100  1.0 3.0
   68    66    70    71  -0.11600  1.0 1.0
   68    66    70    71  -0.09450 -1.0 2.0
   68    66    70    71   0.21250  1.0 3.0
   69    68    72    73   0.19450  1.0 3.0
   70    66    68    49   0.86500  1.0 1.0
   70    66    68    49  -0.17500 -1.0 2.0
   70    66    68    49   0.20800  1.0 3.0
   70    66    68    69   0.23400  1.0 3.0
   70    66    68    72   3.75450  1.0 1.0
   63    60    61    62   7.00000 -1.0 2.0
   63    60    61    66   7.00000 -1.0 2.0
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
   36    30    35    37  10.50000 -1.0 2.0
   41    58    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   51    53    48    45   4.00000 -1.0 2.0
   58    52    51    48   1.10000 -1.0 2.0
   51    59    58    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    47    43    39  15.00000 -1.0 2.0
   55    63    60    61   1.10000 -1.0 2.0
   66    62    61    60   1.10000 -1.0 2.0
   64    60    63    65  10.50000 -1.0 2.0
END
