* LIGAND DATABASE FILE (OPLS2005)
*
001      69    71    124    190     358
    1     0 S   NP   _N1_     1    28.43426    98.76092   -20.78336
    2     1 S   H    _HN1     2     1.02951    65.92430    14.59773
    3     1 S   H    _H1_     3     1.02846    51.41349   155.01564
    4     1 S   H    _H2_     4     1.02793    92.61650   -94.19417
    5     1 S   CT   _CA1     5     1.50110   154.16104   102.27512
    6     5 S   HC   _HA1     6     1.09604   105.16637   101.22892
    7     5 S   CO3  _C1_     7     1.53703   112.05080   -18.48116
    8     7 S   O2Z  _O11     8     1.26311   115.08946   -56.32600
    9     7 S   O2Z  _O12     9     1.26330   114.90925   122.55682
   10     5 S   CT   _CB1    10     1.53141   107.34102  -141.49809
   11    10 S   HC   HB11    11     1.09825   108.97274   -54.33198
   12    10 S   HC   HB12    12     1.09802   110.70961    62.12171
   13    10 S   CT   _CG1    13     1.52976   112.57176  -175.50203
   14    13 S   HC   HG11    14     1.09533   110.29948   -69.80752
   15    13 S   HC   HG12    15     1.09673   109.88402    49.28836
   16    13 S   C    _CD1    16     1.51879   112.46024   169.66496
   17    16 S   O    _OE1    17     1.22732   123.31782     4.96420
   18    16 S   N    _N2_    18     1.38562   111.67015  -174.85677
   19    18 S   H    _HN2    19     1.01573   118.74498     3.45275
   20    18 S   CT1  _CA2    20     1.45923   123.01783   173.69765
   21    20 S   HC   _HA2    21     1.09707   109.25350    21.81817
   22    20 S   C    _C2_    22     1.52949   106.66030   -95.02899
   23    22 S   O    _O2_    23     1.22972   123.03488   -26.67904
   24    20 S   CT   _CB2    32     1.53026   111.81867   145.65011
   25    24 S   HC   HB21    33     1.09557   109.86490    47.78566
   26    24 S   HC   HB22    34     1.09515   111.00043   166.57471
   27    22 S   N    _N3_    24     1.38479   112.53343   156.10923
   28    27 S   H    _HN3    25     1.01651   120.38745    -2.27116
   29    24 S   S    _SG2    35     1.82695   111.08148   -74.08578
   30    27 S   CT   _CA3    26     1.45364   122.51245   178.54545
   31    30 S   HC   HA31    27     1.09565   107.86362   -54.97011
   32    30 S   HC   HA32    28     1.09560   107.57467    61.38659
   33    29 S   CT   _C17    36     1.83342    99.21511   154.80468
   34    33 S   HC   _H3_    37     1.09558   108.31588    35.58989
   35    30 S   CO3  _C3_    29     1.52898   114.27373  -176.86637
   36    35 S   O2Z  _O31    30     1.26343   116.03219     1.08894
   37    35 S   O2Z  _O32    31     1.26431   114.42356  -178.96732
   38    33 S   CO4  _C15    38     1.51061   108.05608   -81.48246
   39    38 S   O    _O18    39     1.22646   121.67855   110.46008
   40    38 S   CA   _C11    40     1.48563   116.99495   -70.77127
   41    40 S   CA   _C8_    41     1.42689   122.20596   144.80376
   42    40 S   CA   _C10    53     1.40009   116.61762   -35.29906
   43    41 S   CA   _C5_    42     1.41800   124.32752    -4.54023
   44    43 S   HA   _H24    43     1.08673   121.20328    -0.70443
   45    42 S   CO4  _C14    54     1.48331   121.83994     2.89847
   46    45 S   O    _O17    55     1.23007   119.66681  -168.72394
   47    43 S   CA   _C7_    44     1.39596   122.26434  -179.94405
   48    47 S   HA   _H26    45     1.08641   119.48823  -179.39574
   49    33 S   CT   _C16    56     1.52419   111.85386   156.54513
   50    49 S   HC   _H27    57     1.09843   111.11619   -38.77221
   51    47 S   CA   _C12    46     1.38543   119.61774     0.48092
   52    49 S   OS   _O21    58     1.43450   109.59056  -160.40573
   53    51 S   CA   _C13    47     1.39423   120.05639     1.10871
   54    52 S   CT   _C19    59     1.42194   112.83886    92.59569
   55    54 S   HC   _H32    60     1.09325   108.26991  -177.55239
   56    54 S   HC   _H33    61     1.09423   110.27153    63.89652
   57    54 S   HC   _H34    62     1.09368   111.00184   -58.42010
   58    51 S   OH   _O19    68     1.36648   120.01658  -178.99985
   59    58 S   HO   _H35    69     0.97549   108.21077   -22.15401
   60    41 S   CA   _C9_    48     1.42153   118.29769   177.03265
   61    53 S   OS   _O20    63     1.37687   119.82137  -179.38008
   62    60 S   CA   _C4_    49     1.40845   119.07332     0.51926
   63    62 S   HA   _H23    50     1.08879   120.61640  -179.84677
   64    61 S   CT   _C18    64     1.42936   110.79887   -77.54998
   65    64 S   HC   _H29    65     1.09417   107.67494  -162.09617
   66    64 S   HC   _H30    66     1.09391   110.77207    80.21958
   67    64 S   HC   _H31    67     1.09619   112.08693   -43.54981
   68    62 S   CA   _C6_    51     1.39216   121.65952     1.47830
   69    68 S   HA   _H25    52     1.08716   118.64206   178.52210
  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   9   5   4   3
  12   7   2   1   1  11   4  13  13  11   8   4   8   4   7   3
   7   2   7   4  11   3   2   1   1   3   1   6   5   3   2   3
   2   1   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    49    50    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    45    46    49    50    52    54  
   38    39    40    45    49    50    52  
   36    37  
   37  
    0  
   39    40    41    43    60    68    42    45    49    50    52  
   40    41    42    49  
   41    43    44    47    53    60    62    68    69    42    45    46    49  
   43    44    47    48    51    53    60    62    63    68    42    45    61  
   45    46    49    50    52    43    60    62    63    68    69  
   44    47    48    51    53    60    62    58  
   47    48    51    60  
   46    49    50    52    54    62    68    69  
   49    50    52    68  
   48    51    53    60    61    58    59  
   51    53    58  
   50    52    54    55    56    57    68  
   52    54  
   53    60    62    61    64    58    59  
   54    55    56    57  
   60    62    63    68    61    64    65    66    67    58    59  
   55    56    57  
   56    57  
   57  
    0  
   59    60    61  
    0  
   62    63    68    69    61    64  
   64    65    66    67    62  
   63    68    69  
   68    69  
   65    66    67  
   66    67  
   67  
    0  
   69  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   61   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
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  1.522
   33    49   268.000  1.529
   38    39   570.000  1.229
   38    40   310.000  1.470
   40    41   469.000  1.400
   40    42   469.000  1.400
   41    43   469.000  1.400
   41    60   469.000  1.400
   43    44   367.000  1.080
   43    47   469.000  1.400
   47    48   367.000  1.080
   47    51   469.000  1.400
   51    53   469.000  1.400
   51    58   450.000  1.364
   53    60   469.000  1.400
   53    61   450.000  1.364
   60    62   469.000  1.400
   62    63   367.000  1.080
   62    68   469.000  1.400
   68    69   367.000  1.080
   68    42   469.000  1.400
   42    45   310.000  1.470
   45    46   570.000  1.229
   45    49   317.000  1.522
   49    50   340.000  1.090
   49    52   320.000  1.410
   52    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   61    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   58    59   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  110.18000
   29    33    49    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  115.47100
   33    49    45    63.00000  111.10000
   33    49    50    37.50000  110.70000
   33    49    52    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    60.00000  119.52600
   38    40    42    60.00000  119.52600
   40    38    39    75.00000  123.78400
   40    41    43    63.00000  120.00000
   40    41    60    63.00000  120.00000
   40    42    68    63.00000  120.00000
   40    42    45    60.00000  119.52600
   41    43    44    35.00000  120.00000
   41    43    47    63.00000  120.00000
   41    60    53    63.00000  120.00000
   41    60    62    63.00000  120.00000
   43    47    48    35.00000  120.00000
   43    47    51    63.00000  120.00000
   47    43    44    35.00000  120.00000
   47    51    53    63.00000  120.00000
   47    51    58    70.00000  120.00000
   51    47    48    35.00000  120.00000
   51    53    60    63.00000  120.00000
   51    53    61    70.00000  120.00000
   51    58    59    35.00000  113.00000
   53    60    62    63.00000  120.00000
   53    61    64    75.00000  111.00000
   60    41    43    63.00000  120.00000
   60    62    63    35.00000  120.00000
   60    62    68    63.00000  120.00000
   62    68    69    35.00000  120.00000
   62    68    42    63.00000  120.00000
   68    62    63    35.00000  120.00000
   68    42    45    60.00000  119.52600
   42    40    41    63.00000  120.00000
   42    68    69    35.00000  120.00000
   42    45    46    75.00000  123.78400
   42    45    49    65.00000  115.47100
   45    49    50    35.00000  109.50000
   45    49    52    90.00000  108.74100
   49    33    34    37.50000  110.70000
   49    33    38    63.00000  111.10000
   49    45    46    80.00000  120.40000
   49    52    54    60.00000  109.50000
   52    49    50    35.00000  109.50000
   52    54    55    35.00000  109.50000
   52    54    56    35.00000  109.50000
   52    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   61    53    60    70.00000  120.00000
   61    64    65    35.00000  109.50000
   61    64    66    35.00000  109.50000
   61    64    67    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   58    51    53    70.00000  120.00000
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    49    45   0.56750  1.0 1.0
   29    33    49    45  -0.07550 -1.0 2.0
   29    33    49    45   0.20000  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    52   0.56750  1.0 1.0
   29    33    49    52  -0.07550 -1.0 2.0
   29    33    49    52   0.20000  1.0 3.0
   33    38    40    41   2.26350  1.0 1.0
   33    38    40    41   0.76750 -1.0 2.0
   33    38    40    41   0.22500  1.0 3.0
   33    38    40    42   2.26350  1.0 1.0
   33    38    40    42   0.76750 -1.0 2.0
   33    38    40    42   0.22500  1.0 3.0
   33    49    52    54   0.06250  1.0 1.0
   33    49    52    54  -0.01100 -1.0 2.0
   33    49    52    54   0.28050  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    49    45  -0.11250  1.0 3.0
   34    33    49    50   0.15000  1.0 3.0
   34    33    49    52   0.23400  1.0 3.0
   38    33    49    45   0.11950  1.0 1.0
   38    33    49    45   0.20300 -1.0 2.0
   38    33    49    45  -0.70800  1.0 3.0
   38    33    49    50  -0.11250  1.0 3.0
   38    33    49    52  -0.09450  1.0 1.0
   38    33    49    52  -1.12950 -1.0 2.0
   38    33    49    52   0.54000  1.0 3.0
   38    40    41    43   3.62500 -1.0 2.0
   38    40    41    60   3.62500 -1.0 2.0
   38    40    42    68   3.62500 -1.0 2.0
   38    40   -42    45   3.62500 -1.0 2.0
   39    38    40    41   1.05000 -1.0 2.0
   39    38    40    42   1.05000 -1.0 2.0
   40    41    43    44   3.62500 -1.0 2.0
   40    41    43    47   3.62500 -1.0 2.0
   40    41    60    53   3.62500 -1.0 2.0
   40    41    60    62   3.62500 -1.0 2.0
   40    42    45    46   1.05000 -1.0 2.0
   40    42    45    49   2.26350  1.0 1.0
   40    42    45    49   0.76750 -1.0 2.0
   40    42    45    49   0.22500  1.0 3.0
   41    40    42    68   3.62500 -1.0 2.0
   41    40    42    45   3.62500 -1.0 2.0
   41    43    47    48   3.62500 -1.0 2.0
   41    43    47    51   3.62500 -1.0 2.0
   41    60    62    63   3.62500 -1.0 2.0
   41    60   -62    68   3.62500 -1.0 2.0
   43    41    60    53   3.62500 -1.0 2.0
   43    41    60    62   3.62500 -1.0 2.0
   43    47   -51    53   3.62500 -1.0 2.0
   43    47    51    58   3.62500 -1.0 2.0
   44    43    47    48   3.62500 -1.0 2.0
   44    43    47    51   3.62500 -1.0 2.0
   47    51    53    60   3.62500 -1.0 2.0
   47    51    53    61   3.62500 -1.0 2.0
   47    51    58    59   0.84100 -1.0 2.0
   48    47    51    53   3.62500 -1.0 2.0
   48    47    51    58   3.62500 -1.0 2.0
   51    53   -60    41   3.62500 -1.0 2.0
   51    53    60    62   3.62500 -1.0 2.0
   51    53    61    64   1.63200 -1.0 2.0
   53    51    58    59   0.84100 -1.0 2.0
   53    60    62    63   3.62500 -1.0 2.0
   53    60    62    68   3.62500 -1.0 2.0
   53    61    64    65   0.08050  1.0 3.0
   53    61    64    66   0.08050  1.0 3.0
   53    61    64    67   0.08050  1.0 3.0
   60    41    43    44   3.62500 -1.0 2.0
   60    41   -43    47   3.62500 -1.0 2.0
   60    53    61    64   1.63200 -1.0 2.0
   60    62    68    69   3.62500 -1.0 2.0
   60    62    68    42   3.62500 -1.0 2.0
   62    68   -42    40   3.62500 -1.0 2.0
   62    68    42    45   3.62500 -1.0 2.0
   63    62    68    69   3.62500 -1.0 2.0
   63    62    68    42   3.62500 -1.0 2.0
   68    42    45    46   1.05000 -1.0 2.0
   68    42    45    49   2.26350  1.0 1.0
   68    42    45    49   0.76750 -1.0 2.0
   68    42    45    49   0.22500  1.0 3.0
   69    68    42    40   3.62500 -1.0 2.0
   69    68    42    45   3.62500 -1.0 2.0
   42    40    41    43   3.62500 -1.0 2.0
   42    40   -41    60   3.62500 -1.0 2.0
   42    45   -49    33   0.05850 -1.0 2.0
   42    45   -49    33   0.17250  1.0 3.0
   42    45    49    50   0.00000  1.0 1.0
   42    45    49    52   0.65300  1.0 1.0
   42    45    49    52  -0.03850 -1.0 2.0
   42    45    49    52   0.33900  1.0 3.0
   45    49    52    54  -1.11000  1.0 1.0
   45    49    52    54   0.50250 -1.0 2.0
   45    49    52    54   0.47450  1.0 3.0
   46    45    49    33   0.30150 -1.0 2.0
   46    45    49    50   0.00000  1.0 1.0
   46    45    49    52   0.30150 -1.0 2.0
   49    33    38    39   0.30150 -1.0 2.0
   49    33   -38    40   0.05850 -1.0 2.0
   49    33   -38    40   0.17250  1.0 3.0
   49    52    54    55   0.37050  1.0 3.0
   49    52    54    56   0.37050  1.0 3.0
   49    52    54    57   0.37050  1.0 3.0
   50    49    52    54   0.37050  1.0 3.0
   61    53    60    41   3.62500 -1.0 2.0
   61    53    60    62   3.62500 -1.0 2.0
   58    51    53    60   3.62500 -1.0 2.0
   58    51    53    61   3.62500 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   41    42    40    38   4.00000 -1.0 2.0
   43    60    41    40   4.00000 -1.0 2.0
   47    44    43    41   1.10000 -1.0 2.0
   51    48    47    43   1.10000 -1.0 2.0
   53    58    51    47   4.00000 -1.0 2.0
   60    61    53    51   4.00000 -1.0 2.0
   53    62    60    41   4.00000 -1.0 2.0
   68    63    62    60   1.10000 -1.0 2.0
   42    69    68    62   1.10000 -1.0 2.0
   68    45    42    40   4.00000 -1.0 2.0
   42    49    45    46  10.50000 -1.0 2.0
END
